smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394936 805725801 /nfs/dbraw/zinc/72/58/01/805725801.db2.gz LDBFUFUSHMRYKO-CHWSQXEVSA-N 2 1 276.340 -0.624 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394936 805725807 /nfs/dbraw/zinc/72/58/07/805725807.db2.gz LDBFUFUSHMRYKO-CHWSQXEVSA-N 2 1 276.340 -0.624 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174505 805849008 /nfs/dbraw/zinc/84/90/08/805849008.db2.gz NKPKXDTWMHEMQO-IJLUTSLNSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174505 805849016 /nfs/dbraw/zinc/84/90/16/805849016.db2.gz NKPKXDTWMHEMQO-IJLUTSLNSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174505 805849025 /nfs/dbraw/zinc/84/90/25/805849025.db2.gz NKPKXDTWMHEMQO-IJLUTSLNSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174505 805849035 /nfs/dbraw/zinc/84/90/35/805849035.db2.gz NKPKXDTWMHEMQO-IJLUTSLNSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175255 805849371 /nfs/dbraw/zinc/84/93/71/805849371.db2.gz XLJDUGYAWMGVFG-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175255 805849379 /nfs/dbraw/zinc/84/93/79/805849379.db2.gz XLJDUGYAWMGVFG-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175255 805849387 /nfs/dbraw/zinc/84/93/87/805849387.db2.gz XLJDUGYAWMGVFG-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)C[C@H]2O)CC1 ZINC001078227361 805860899 /nfs/dbraw/zinc/86/08/99/805860899.db2.gz WJHHHSBPIVMLKU-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691667 806114613 /nfs/dbraw/zinc/11/46/13/806114613.db2.gz JMIBWNNGJHUNFS-AAVRWANBSA-N 2 1 279.384 -0.225 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691667 806114616 /nfs/dbraw/zinc/11/46/16/806114616.db2.gz JMIBWNNGJHUNFS-AAVRWANBSA-N 2 1 279.384 -0.225 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691667 806114619 /nfs/dbraw/zinc/11/46/19/806114619.db2.gz JMIBWNNGJHUNFS-AAVRWANBSA-N 2 1 279.384 -0.225 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691667 806114622 /nfs/dbraw/zinc/11/46/22/806114622.db2.gz JMIBWNNGJHUNFS-AAVRWANBSA-N 2 1 279.384 -0.225 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082371103 806170058 /nfs/dbraw/zinc/17/00/58/806170058.db2.gz SXYOCUQHCKUMID-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082371103 806170062 /nfs/dbraw/zinc/17/00/62/806170062.db2.gz SXYOCUQHCKUMID-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457819 806180323 /nfs/dbraw/zinc/18/03/23/806180323.db2.gz HCIAXJSCZWKZAO-UPJWGTAASA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457819 806180330 /nfs/dbraw/zinc/18/03/30/806180330.db2.gz HCIAXJSCZWKZAO-UPJWGTAASA-N 2 1 267.373 -0.061 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590419 806186665 /nfs/dbraw/zinc/18/66/65/806186665.db2.gz VVYGIICMGDBPFV-AAVRWANBSA-N 2 1 279.384 -0.225 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590419 806186674 /nfs/dbraw/zinc/18/66/74/806186674.db2.gz VVYGIICMGDBPFV-AAVRWANBSA-N 2 1 279.384 -0.225 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372853 806288922 /nfs/dbraw/zinc/28/89/22/806288922.db2.gz IJNMYCPYKTUDBU-AGIUHOORSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372853 806288928 /nfs/dbraw/zinc/28/89/28/806288928.db2.gz IJNMYCPYKTUDBU-AGIUHOORSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372853 806288932 /nfs/dbraw/zinc/28/89/32/806288932.db2.gz IJNMYCPYKTUDBU-AGIUHOORSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372853 806288936 /nfs/dbraw/zinc/28/89/36/806288936.db2.gz IJNMYCPYKTUDBU-AGIUHOORSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465694 806337542 /nfs/dbraw/zinc/33/75/42/806337542.db2.gz NXOWNGIVDFGZHS-MCIONIFRSA-N 2 1 279.384 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465694 806337552 /nfs/dbraw/zinc/33/75/52/806337552.db2.gz NXOWNGIVDFGZHS-MCIONIFRSA-N 2 1 279.384 -0.325 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833004 806442846 /nfs/dbraw/zinc/44/28/46/806442846.db2.gz FETKFEMLCLQSDD-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833004 806442848 /nfs/dbraw/zinc/44/28/48/806442848.db2.gz FETKFEMLCLQSDD-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083952338 806467114 /nfs/dbraw/zinc/46/71/14/806467114.db2.gz HOZMPCIKDAWCDX-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083952338 806467122 /nfs/dbraw/zinc/46/71/22/806467122.db2.gz HOZMPCIKDAWCDX-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083952338 806467127 /nfs/dbraw/zinc/46/71/27/806467127.db2.gz HOZMPCIKDAWCDX-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083952338 806467135 /nfs/dbraw/zinc/46/71/35/806467135.db2.gz HOZMPCIKDAWCDX-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053268 806480285 /nfs/dbraw/zinc/48/02/85/806480285.db2.gz XLJDUGYAWMGVFG-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053268 806480291 /nfs/dbraw/zinc/48/02/91/806480291.db2.gz XLJDUGYAWMGVFG-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053268 806480297 /nfs/dbraw/zinc/48/02/97/806480297.db2.gz XLJDUGYAWMGVFG-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001084844834 806537892 /nfs/dbraw/zinc/53/78/92/806537892.db2.gz LCOGUMGUPIUZRY-RBSFLKMASA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001084844834 806537897 /nfs/dbraw/zinc/53/78/97/806537897.db2.gz LCOGUMGUPIUZRY-RBSFLKMASA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)CC1 ZINC001085986635 806632193 /nfs/dbraw/zinc/63/21/93/806632193.db2.gz JOKLLRDJDDRCMG-HNNXBMFYSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023290767 798898126 /nfs/dbraw/zinc/89/81/26/798898126.db2.gz AZRBYGBJUNHMHA-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023290767 798898129 /nfs/dbraw/zinc/89/81/29/798898129.db2.gz AZRBYGBJUNHMHA-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023290767 798898133 /nfs/dbraw/zinc/89/81/33/798898133.db2.gz AZRBYGBJUNHMHA-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023290767 798898139 /nfs/dbraw/zinc/89/81/39/798898139.db2.gz AZRBYGBJUNHMHA-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026045279 798987767 /nfs/dbraw/zinc/98/77/67/798987767.db2.gz XSTOZCQVQVOQGZ-QSLWVIQJSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026045279 798987768 /nfs/dbraw/zinc/98/77/68/798987768.db2.gz XSTOZCQVQVOQGZ-QSLWVIQJSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026045279 798987771 /nfs/dbraw/zinc/98/77/71/798987771.db2.gz XSTOZCQVQVOQGZ-QSLWVIQJSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001026470172 799005379 /nfs/dbraw/zinc/00/53/79/799005379.db2.gz QPTVAHVPSNXOFV-RUXDESIVSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001026470172 799005386 /nfs/dbraw/zinc/00/53/86/799005386.db2.gz QPTVAHVPSNXOFV-RUXDESIVSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031859067 799552664 /nfs/dbraw/zinc/55/26/64/799552664.db2.gz MKDUPTRKUGBLCZ-CXOJTPOUSA-N 2 1 289.379 -0.469 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031859067 799552670 /nfs/dbraw/zinc/55/26/70/799552670.db2.gz MKDUPTRKUGBLCZ-CXOJTPOUSA-N 2 1 289.379 -0.469 20 30 CBEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325868 799892286 /nfs/dbraw/zinc/89/22/86/799892286.db2.gz DLJAWXASIAQJTE-ZIAGYGMSSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325868 799892294 /nfs/dbraw/zinc/89/22/94/799892294.db2.gz DLJAWXASIAQJTE-ZIAGYGMSSA-N 2 1 297.399 -0.290 20 30 CBEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579175 799947230 /nfs/dbraw/zinc/94/72/30/799947230.db2.gz DKZFCBXHEIAIJZ-CQSZACIVSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579175 799947238 /nfs/dbraw/zinc/94/72/38/799947238.db2.gz DKZFCBXHEIAIJZ-CQSZACIVSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCO)CC1 ZINC001039042608 801283164 /nfs/dbraw/zinc/28/31/64/801283164.db2.gz UTCGLAZDRBBXLB-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047431901 801871822 /nfs/dbraw/zinc/87/18/22/801871822.db2.gz JURZTLLSQHLCFF-ILXRZTDVSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047431901 801871829 /nfs/dbraw/zinc/87/18/29/801871829.db2.gz JURZTLLSQHLCFF-ILXRZTDVSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001047431901 801871838 /nfs/dbraw/zinc/87/18/38/801871838.db2.gz JURZTLLSQHLCFF-ILXRZTDVSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047431901 801871846 /nfs/dbraw/zinc/87/18/46/801871846.db2.gz JURZTLLSQHLCFF-ILXRZTDVSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001047528825 801893435 /nfs/dbraw/zinc/89/34/35/801893435.db2.gz DFBMDNDPEFFDFC-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047595364 801907554 /nfs/dbraw/zinc/90/75/54/801907554.db2.gz BRCBTFWNOMWGKU-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047595364 801907560 /nfs/dbraw/zinc/90/75/60/801907560.db2.gz BRCBTFWNOMWGKU-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047595364 801907566 /nfs/dbraw/zinc/90/75/66/801907566.db2.gz BRCBTFWNOMWGKU-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047595364 801907569 /nfs/dbraw/zinc/90/75/69/801907569.db2.gz BRCBTFWNOMWGKU-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047599026 801909580 /nfs/dbraw/zinc/90/95/80/801909580.db2.gz ZKQLMVNCZTWIAL-STQMWFEESA-N 2 1 277.368 -0.781 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047599026 801909584 /nfs/dbraw/zinc/90/95/84/801909584.db2.gz ZKQLMVNCZTWIAL-STQMWFEESA-N 2 1 277.368 -0.781 20 30 CBEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740122 801961493 /nfs/dbraw/zinc/96/14/93/801961493.db2.gz SDLFRTAEWBMKOP-HZSPNIEDSA-N 2 1 279.384 -0.107 20 30 CBEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740122 801961495 /nfs/dbraw/zinc/96/14/95/801961495.db2.gz SDLFRTAEWBMKOP-HZSPNIEDSA-N 2 1 279.384 -0.107 20 30 CBEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740122 801961498 /nfs/dbraw/zinc/96/14/98/801961498.db2.gz SDLFRTAEWBMKOP-HZSPNIEDSA-N 2 1 279.384 -0.107 20 30 CBEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740122 801961502 /nfs/dbraw/zinc/96/15/02/801961502.db2.gz SDLFRTAEWBMKOP-HZSPNIEDSA-N 2 1 279.384 -0.107 20 30 CBEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001118134426 812475648 /nfs/dbraw/zinc/47/56/48/812475648.db2.gz SPBWHKGSAZORPJ-RYUDHWBXSA-N 2 1 268.361 -0.156 20 30 CBEDMP OC[C@H]1[C@@H]2C[NH+](CC#CC[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001117683577 812430975 /nfs/dbraw/zinc/43/09/75/812430975.db2.gz YAVJWTHYNHMZFL-FRMPLNAESA-N 2 1 276.380 -0.670 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001321746076 803809619 /nfs/dbraw/zinc/80/96/19/803809619.db2.gz FDMYCMSTSYRZFL-LLVKDONJSA-N 2 1 293.371 -0.412 20 30 CBEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001323111998 803979042 /nfs/dbraw/zinc/97/90/42/803979042.db2.gz FDSXYCYLJFQDSV-ZIAGYGMSSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001323111998 803979051 /nfs/dbraw/zinc/97/90/51/803979051.db2.gz FDSXYCYLJFQDSV-ZIAGYGMSSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001325109630 804240745 /nfs/dbraw/zinc/24/07/45/804240745.db2.gz FQLPUDKFRDHPRV-HIFRSBDPSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001325109630 804240749 /nfs/dbraw/zinc/24/07/49/804240749.db2.gz FQLPUDKFRDHPRV-HIFRSBDPSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001325109630 804240759 /nfs/dbraw/zinc/24/07/59/804240759.db2.gz FQLPUDKFRDHPRV-HIFRSBDPSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072579029 805314973 /nfs/dbraw/zinc/31/49/73/805314973.db2.gz TVDNCILGMPLEIX-CYBMUJFWSA-N 2 1 277.368 -0.516 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072579029 805314981 /nfs/dbraw/zinc/31/49/81/805314981.db2.gz TVDNCILGMPLEIX-CYBMUJFWSA-N 2 1 277.368 -0.516 20 30 CBEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579029 805314988 /nfs/dbraw/zinc/31/49/88/805314988.db2.gz TVDNCILGMPLEIX-CYBMUJFWSA-N 2 1 277.368 -0.516 20 30 CBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579029 805315000 /nfs/dbraw/zinc/31/50/00/805315000.db2.gz TVDNCILGMPLEIX-CYBMUJFWSA-N 2 1 277.368 -0.516 20 30 CBEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580924 805316539 /nfs/dbraw/zinc/31/65/39/805316539.db2.gz OIZXIJIMBLUVPI-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580924 805316547 /nfs/dbraw/zinc/31/65/47/805316547.db2.gz OIZXIJIMBLUVPI-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580924 805316556 /nfs/dbraw/zinc/31/65/56/805316556.db2.gz OIZXIJIMBLUVPI-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580924 805316564 /nfs/dbraw/zinc/31/65/64/805316564.db2.gz OIZXIJIMBLUVPI-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059758 805355896 /nfs/dbraw/zinc/35/58/96/805355896.db2.gz TWDHNIXXGAQHQX-UHFFFAOYSA-N 2 1 291.395 -0.124 20 30 CBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059758 805355905 /nfs/dbraw/zinc/35/59/05/805355905.db2.gz TWDHNIXXGAQHQX-UHFFFAOYSA-N 2 1 291.395 -0.124 20 30 CBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073553845 805384642 /nfs/dbraw/zinc/38/46/42/805384642.db2.gz AGGFPOMDVPMOPV-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073553845 805384650 /nfs/dbraw/zinc/38/46/50/805384650.db2.gz AGGFPOMDVPMOPV-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553845 805384658 /nfs/dbraw/zinc/38/46/58/805384658.db2.gz AGGFPOMDVPMOPV-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553845 805384665 /nfs/dbraw/zinc/38/46/65/805384665.db2.gz AGGFPOMDVPMOPV-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#CCOC)C1 ZINC001151740799 815089012 /nfs/dbraw/zinc/08/90/12/815089012.db2.gz XYIVPKQQZDUZBG-CYBMUJFWSA-N 2 1 283.372 -0.937 20 30 CBEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#CCOC)C1 ZINC001151740799 815089019 /nfs/dbraw/zinc/08/90/19/815089019.db2.gz XYIVPKQQZDUZBG-CYBMUJFWSA-N 2 1 283.372 -0.937 20 30 CBEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152136350 815106556 /nfs/dbraw/zinc/10/65/56/815106556.db2.gz AFYHSMQPUUAEIY-TXEJJXNPSA-N 2 1 295.387 -0.795 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152452286 815122372 /nfs/dbraw/zinc/12/23/72/815122372.db2.gz ZLOPWHXHNUVZHY-ZDUSSCGKSA-N 2 1 294.399 -0.684 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152452285 815122431 /nfs/dbraw/zinc/12/24/31/815122431.db2.gz ZLOPWHXHNUVZHY-CYBMUJFWSA-N 2 1 294.399 -0.684 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091957 810241525 /nfs/dbraw/zinc/24/15/25/810241525.db2.gz UJKAAGQGXCXHER-LJISPDSOSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120829 810243480 /nfs/dbraw/zinc/24/34/80/810243480.db2.gz PCRNOCOBYONEPD-YIYPIFLZSA-N 2 1 279.384 -0.177 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120829 810243484 /nfs/dbraw/zinc/24/34/84/810243484.db2.gz PCRNOCOBYONEPD-YIYPIFLZSA-N 2 1 279.384 -0.177 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086371717 810265901 /nfs/dbraw/zinc/26/59/01/810265901.db2.gz UJKAAGQGXCXHER-TUVASFSCSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090391177 810489704 /nfs/dbraw/zinc/48/97/04/810489704.db2.gz AYUDRCFXOZOGCC-ZIAGYGMSSA-N 2 1 291.395 -0.201 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090391177 810489706 /nfs/dbraw/zinc/48/97/06/810489706.db2.gz AYUDRCFXOZOGCC-ZIAGYGMSSA-N 2 1 291.395 -0.201 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090436079 810498905 /nfs/dbraw/zinc/49/89/05/810498905.db2.gz NBFHRPSOKFFWCZ-CHWSQXEVSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090436079 810498912 /nfs/dbraw/zinc/49/89/12/810498912.db2.gz NBFHRPSOKFFWCZ-CHWSQXEVSA-N 2 1 278.356 -0.071 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540251 810521324 /nfs/dbraw/zinc/52/13/24/810521324.db2.gz NZLYOSCXVGLNPB-KGLIPLIRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540251 810521331 /nfs/dbraw/zinc/52/13/31/810521331.db2.gz NZLYOSCXVGLNPB-KGLIPLIRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730081 810559651 /nfs/dbraw/zinc/55/96/51/810559651.db2.gz FWPKHKLFAHUHFM-CHWSQXEVSA-N 2 1 279.384 -0.180 20 30 CBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561130 810852267 /nfs/dbraw/zinc/85/22/67/810852267.db2.gz SVSJURHDXBYCSB-CQSZACIVSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561130 810852272 /nfs/dbraw/zinc/85/22/72/810852272.db2.gz SVSJURHDXBYCSB-CQSZACIVSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561130 810852279 /nfs/dbraw/zinc/85/22/79/810852279.db2.gz SVSJURHDXBYCSB-CQSZACIVSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099898857 810961576 /nfs/dbraw/zinc/96/15/76/810961576.db2.gz IYCYPZJUSVQSKO-CHWSQXEVSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099898857 810961581 /nfs/dbraw/zinc/96/15/81/810961581.db2.gz IYCYPZJUSVQSKO-CHWSQXEVSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898857 810961592 /nfs/dbraw/zinc/96/15/92/810961592.db2.gz IYCYPZJUSVQSKO-CHWSQXEVSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898857 810961594 /nfs/dbraw/zinc/96/15/94/810961594.db2.gz IYCYPZJUSVQSKO-CHWSQXEVSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971713 810980147 /nfs/dbraw/zinc/98/01/47/810980147.db2.gz LMBWDAWVSOOTNO-QWHCGFSZSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971713 810980154 /nfs/dbraw/zinc/98/01/54/810980154.db2.gz LMBWDAWVSOOTNO-QWHCGFSZSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973469 810981972 /nfs/dbraw/zinc/98/19/72/810981972.db2.gz DPLOELCLOJTLFX-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986164 810983866 /nfs/dbraw/zinc/98/38/66/810983866.db2.gz IISNXLLSZJFUDG-ZIAGYGMSSA-N 2 1 297.399 -0.861 20 30 CBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986164 810983871 /nfs/dbraw/zinc/98/38/71/810983871.db2.gz IISNXLLSZJFUDG-ZIAGYGMSSA-N 2 1 297.399 -0.861 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986159 810984208 /nfs/dbraw/zinc/98/42/08/810984208.db2.gz IISNXLLSZJFUDG-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986159 810984212 /nfs/dbraw/zinc/98/42/12/810984212.db2.gz IISNXLLSZJFUDG-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987241 810985790 /nfs/dbraw/zinc/98/57/90/810985790.db2.gz WULYARUPHUABHG-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074721 811015662 /nfs/dbraw/zinc/01/56/62/811015662.db2.gz RHPDTLAVOSZIRF-UONOGXRCSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100078135 811015724 /nfs/dbraw/zinc/01/57/24/811015724.db2.gz DHGCDHUNIFLKDK-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100078135 811015729 /nfs/dbraw/zinc/01/57/29/811015729.db2.gz DHGCDHUNIFLKDK-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100078135 811015732 /nfs/dbraw/zinc/01/57/32/811015732.db2.gz DHGCDHUNIFLKDK-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100078135 811015738 /nfs/dbraw/zinc/01/57/38/811015738.db2.gz DHGCDHUNIFLKDK-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507034 815536130 /nfs/dbraw/zinc/53/61/30/815536130.db2.gz OOGIYDMDMPBNFS-KGLIPLIRSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507060 815536365 /nfs/dbraw/zinc/53/63/65/815536365.db2.gz OYUQMBPPQZLQIG-ZIAGYGMSSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001120536612 812985240 /nfs/dbraw/zinc/98/52/40/812985240.db2.gz PJLCVDGAIVWICA-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124836388 813484953 /nfs/dbraw/zinc/48/49/53/813484953.db2.gz GFUXHYBHWXMVTB-NSHDSACASA-N 2 1 268.361 -0.911 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125223244 813537528 /nfs/dbraw/zinc/53/75/28/813537528.db2.gz ZKJIZRXGEOTYRX-GFCCVEGCSA-N 2 1 271.361 -0.775 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125223244 813537535 /nfs/dbraw/zinc/53/75/35/813537535.db2.gz ZKJIZRXGEOTYRX-GFCCVEGCSA-N 2 1 271.361 -0.775 20 30 CBEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125226597 813537725 /nfs/dbraw/zinc/53/77/25/813537725.db2.gz DGTKLQSRXJBUJY-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125226597 813537730 /nfs/dbraw/zinc/53/77/30/813537730.db2.gz DGTKLQSRXJBUJY-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066355 813709066 /nfs/dbraw/zinc/70/90/66/813709066.db2.gz MEQFNSAOJKVYER-ZDUSSCGKSA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695525 813740886 /nfs/dbraw/zinc/74/08/86/813740886.db2.gz PKVIIBHIIAVSAZ-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784830 813749116 /nfs/dbraw/zinc/74/91/16/813749116.db2.gz BSQIXABQJRSGIS-OLZOCXBDSA-N 2 1 265.357 -0.421 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387732 813838902 /nfs/dbraw/zinc/83/89/02/813838902.db2.gz YGWKLWGQRQYQSY-ZDUSSCGKSA-N 2 1 277.372 -0.458 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387619 813839246 /nfs/dbraw/zinc/83/92/46/813839246.db2.gz XJVKSFUMBVJUNO-ZDUSSCGKSA-N 2 1 277.372 -0.458 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)OC ZINC001129770108 813862107 /nfs/dbraw/zinc/86/21/07/813862107.db2.gz AWOXZIUKULXKSP-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)OC ZINC001129770108 813862116 /nfs/dbraw/zinc/86/21/16/813862116.db2.gz AWOXZIUKULXKSP-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001129771040 813863542 /nfs/dbraw/zinc/86/35/42/813863542.db2.gz OPEYSNULACVHHF-ZDUSSCGKSA-N 2 1 292.383 -0.932 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001129771040 813863549 /nfs/dbraw/zinc/86/35/49/813863549.db2.gz OPEYSNULACVHHF-ZDUSSCGKSA-N 2 1 292.383 -0.932 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001129774448 813863857 /nfs/dbraw/zinc/86/38/57/813863857.db2.gz BPAIGCNMIQIJIK-ZDUSSCGKSA-N 2 1 292.383 -0.978 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001129774448 813863865 /nfs/dbraw/zinc/86/38/65/813863865.db2.gz BPAIGCNMIQIJIK-ZDUSSCGKSA-N 2 1 292.383 -0.978 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)COC ZINC001129791179 813864179 /nfs/dbraw/zinc/86/41/79/813864179.db2.gz WRWDCOKLNDZMGL-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)COC ZINC001129791179 813864192 /nfs/dbraw/zinc/86/41/92/813864192.db2.gz WRWDCOKLNDZMGL-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC[C@@H](C)O ZINC001129770905 813864316 /nfs/dbraw/zinc/86/43/16/813864316.db2.gz NFECLVBLLYXJEM-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC[C@@H](C)O ZINC001129770905 813864327 /nfs/dbraw/zinc/86/43/27/813864327.db2.gz NFECLVBLLYXJEM-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001129770897 813864793 /nfs/dbraw/zinc/86/47/93/813864793.db2.gz MZQUTPGPYFVGON-NEPJUHHUSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001129770897 813864801 /nfs/dbraw/zinc/86/48/01/813864801.db2.gz MZQUTPGPYFVGON-NEPJUHHUSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCC ZINC001129770243 813865197 /nfs/dbraw/zinc/86/51/97/813865197.db2.gz DAZBKMUFTRJOCJ-ZDUSSCGKSA-N 2 1 294.399 -0.684 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCC ZINC001129770243 813865205 /nfs/dbraw/zinc/86/52/05/813865205.db2.gz DAZBKMUFTRJOCJ-ZDUSSCGKSA-N 2 1 294.399 -0.684 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387164 814026696 /nfs/dbraw/zinc/02/66/96/814026696.db2.gz DGAVATFQMPCZEC-LBPRGKRZSA-N 2 1 293.371 -0.412 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849630 814307537 /nfs/dbraw/zinc/30/75/37/814307537.db2.gz AYVHZEMGEYJXRX-STQMWFEESA-N 2 1 294.399 -0.828 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899614 814320097 /nfs/dbraw/zinc/32/00/97/814320097.db2.gz OTTHHSCZHUSMJE-UHFFFAOYSA-N 2 1 298.431 -0.028 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352904 814468307 /nfs/dbraw/zinc/46/83/07/814468307.db2.gz YUGXVFUPRCLGPQ-UHFFFAOYSA-N 2 1 253.346 -0.562 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711031 814843867 /nfs/dbraw/zinc/84/38/67/814843867.db2.gz NLQPLKJVNKQTQH-GFCCVEGCSA-N 2 1 284.404 -0.275 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900122 814923839 /nfs/dbraw/zinc/92/38/39/814923839.db2.gz HZVPPUNUYJRHGJ-OLZOCXBDSA-N 2 1 294.399 -0.828 20 30 CBEDMP C=CCN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160431849 815621386 /nfs/dbraw/zinc/62/13/86/815621386.db2.gz GNQYDEDCCPYZGI-UHFFFAOYSA-N 2 1 266.389 -0.342 20 30 CBEDMP C#C[C@](C)(N)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445286 815755750 /nfs/dbraw/zinc/75/57/50/815755750.db2.gz OEBLIVNZJRHUFZ-OCCSQVGLSA-N 2 1 266.389 -0.521 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986182 816917319 /nfs/dbraw/zinc/91/73/19/816917319.db2.gz LCODCSDMKNYERT-OLZOCXBDSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986182 816917325 /nfs/dbraw/zinc/91/73/25/816917325.db2.gz LCODCSDMKNYERT-OLZOCXBDSA-N 2 1 296.415 -0.181 20 30 CBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317296618 816959963 /nfs/dbraw/zinc/95/99/63/816959963.db2.gz BJSFXAXLRXBFJK-KBPBESRZSA-N 2 1 295.383 -0.843 20 30 CBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317296618 816959965 /nfs/dbraw/zinc/95/99/65/816959965.db2.gz BJSFXAXLRXBFJK-KBPBESRZSA-N 2 1 295.383 -0.843 20 30 CBEDMP C=CCOCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317442068 816979299 /nfs/dbraw/zinc/97/92/99/816979299.db2.gz WRSRAHNUTWMTLO-ZDUSSCGKSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317442068 816979301 /nfs/dbraw/zinc/97/93/01/816979301.db2.gz WRSRAHNUTWMTLO-ZDUSSCGKSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCOCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317442068 816979305 /nfs/dbraw/zinc/97/93/05/816979305.db2.gz WRSRAHNUTWMTLO-ZDUSSCGKSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCOCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317442068 816979312 /nfs/dbraw/zinc/97/93/12/816979312.db2.gz WRSRAHNUTWMTLO-ZDUSSCGKSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001320231363 817299716 /nfs/dbraw/zinc/29/97/16/817299716.db2.gz MJEVAMIZTHRRNU-FRRDWIJNSA-N 2 1 269.389 -0.031 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320295421 817317357 /nfs/dbraw/zinc/31/73/57/817317357.db2.gz JBIBCCXHHZDQMK-VXGBXAGGSA-N 2 1 253.346 -0.972 20 30 CBEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001320647105 817366980 /nfs/dbraw/zinc/36/69/80/817366980.db2.gz SFRWQESCZFPIBL-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001320647105 817366987 /nfs/dbraw/zinc/36/69/87/817366987.db2.gz SFRWQESCZFPIBL-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668358 820012740 /nfs/dbraw/zinc/01/27/40/820012740.db2.gz ZSYJUTWNOXDBHZ-CYBMUJFWSA-N 2 1 294.399 -0.827 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166714164 820017865 /nfs/dbraw/zinc/01/78/65/820017865.db2.gz HCYALXDLVYSJPV-UONOGXRCSA-N 2 1 281.400 -0.070 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166714161 820019998 /nfs/dbraw/zinc/01/99/98/820019998.db2.gz HCYALXDLVYSJPV-KGLIPLIRSA-N 2 1 281.400 -0.070 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170212469 820282442 /nfs/dbraw/zinc/28/24/42/820282442.db2.gz ZZAWGIFBTRSGBU-UHFFFAOYSA-N 2 1 284.404 -0.274 20 30 CBEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001171219464 820350223 /nfs/dbraw/zinc/35/02/23/820350223.db2.gz XKLIOXUKYZVBPD-GFCCVEGCSA-N 2 1 295.387 -0.936 20 30 CBEDMP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176635312 820453876 /nfs/dbraw/zinc/45/38/76/820453876.db2.gz AMTTXJCQKBSVJC-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176635312 820453882 /nfs/dbraw/zinc/45/38/82/820453882.db2.gz AMTTXJCQKBSVJC-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176643747 820454626 /nfs/dbraw/zinc/45/46/26/820454626.db2.gz HLMDHHGOQBPUAT-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176643747 820454631 /nfs/dbraw/zinc/45/46/31/820454631.db2.gz HLMDHHGOQBPUAT-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001279710774 828335725 /nfs/dbraw/zinc/33/57/25/828335725.db2.gz CRQYZNHYTFHRNJ-CQSZACIVSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001279746582 828337715 /nfs/dbraw/zinc/33/77/15/828337715.db2.gz NCGNZYHOGLLDCJ-CYBMUJFWSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282368590 828442590 /nfs/dbraw/zinc/44/25/90/828442590.db2.gz XJRLKCZVRZZNRV-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282368590 828442592 /nfs/dbraw/zinc/44/25/92/828442592.db2.gz XJRLKCZVRZZNRV-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282368590 828442594 /nfs/dbraw/zinc/44/25/94/828442594.db2.gz XJRLKCZVRZZNRV-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282368590 828442596 /nfs/dbraw/zinc/44/25/96/828442596.db2.gz XJRLKCZVRZZNRV-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282368587 828442633 /nfs/dbraw/zinc/44/26/33/828442633.db2.gz XJRLKCZVRZZNRV-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282368587 828442637 /nfs/dbraw/zinc/44/26/37/828442637.db2.gz XJRLKCZVRZZNRV-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001282368587 828442638 /nfs/dbraw/zinc/44/26/38/828442638.db2.gz XJRLKCZVRZZNRV-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001282368587 828442639 /nfs/dbraw/zinc/44/26/39/828442639.db2.gz XJRLKCZVRZZNRV-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001282497225 828450401 /nfs/dbraw/zinc/45/04/01/828450401.db2.gz MLMXUBMFCIEADC-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001282497225 828450404 /nfs/dbraw/zinc/45/04/04/828450404.db2.gz MLMXUBMFCIEADC-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001282497225 828450406 /nfs/dbraw/zinc/45/04/06/828450406.db2.gz MLMXUBMFCIEADC-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001282497225 828450409 /nfs/dbraw/zinc/45/04/09/828450409.db2.gz MLMXUBMFCIEADC-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283827746 828554411 /nfs/dbraw/zinc/55/44/11/828554411.db2.gz REJMHFAWQIYMMI-CHWSQXEVSA-N 2 1 269.389 -0.029 20 30 CBEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283827748 828554606 /nfs/dbraw/zinc/55/46/06/828554606.db2.gz REJMHFAWQIYMMI-QWHCGFSZSA-N 2 1 269.389 -0.029 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001284433437 828594429 /nfs/dbraw/zinc/59/44/29/828594429.db2.gz XIWOLXBBXZJUBL-ZDUSSCGKSA-N 2 1 278.356 -0.376 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001284456125 828598759 /nfs/dbraw/zinc/59/87/59/828598759.db2.gz IXQSCEZIPVBHPT-QWHCGFSZSA-N 2 1 269.389 -0.077 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001284456124 828598485 /nfs/dbraw/zinc/59/84/85/828598485.db2.gz IXQSCEZIPVBHPT-OLZOCXBDSA-N 2 1 269.389 -0.077 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001284456123 828598961 /nfs/dbraw/zinc/59/89/61/828598961.db2.gz IXQSCEZIPVBHPT-CHWSQXEVSA-N 2 1 269.389 -0.077 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677581 824127552 /nfs/dbraw/zinc/12/75/52/824127552.db2.gz TZNSOBIGXRSPQU-CHWSQXEVSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199942971 824297576 /nfs/dbraw/zinc/29/75/76/824297576.db2.gz CFXQDNLFHDKKRH-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942971 824297579 /nfs/dbraw/zinc/29/75/79/824297579.db2.gz CFXQDNLFHDKKRH-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001205479447 824379306 /nfs/dbraw/zinc/37/93/06/824379306.db2.gz MRKFMACQDCOJDA-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001205479447 824379312 /nfs/dbraw/zinc/37/93/12/824379312.db2.gz MRKFMACQDCOJDA-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719051 824514206 /nfs/dbraw/zinc/51/42/06/824514206.db2.gz LGMXMTDJNWWJNL-CHWSQXEVSA-N 2 1 285.388 -0.434 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213719051 824514209 /nfs/dbraw/zinc/51/42/09/824514209.db2.gz LGMXMTDJNWWJNL-CHWSQXEVSA-N 2 1 285.388 -0.434 20 30 CBEDMP N#Cc1[nH]cnc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218595442 824602484 /nfs/dbraw/zinc/60/24/84/824602484.db2.gz NGGRHIUPLYRKRN-LURJTMIESA-N 2 1 254.319 -0.761 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802525 824895471 /nfs/dbraw/zinc/89/54/71/824895471.db2.gz RXAUJUGQVYSILY-OLZOCXBDSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802525 824895474 /nfs/dbraw/zinc/89/54/74/824895474.db2.gz RXAUJUGQVYSILY-OLZOCXBDSA-N 2 1 279.384 -0.345 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220868063 825114810 /nfs/dbraw/zinc/11/48/10/825114810.db2.gz AGFSFLBIOLLASE-RYUDHWBXSA-N 3 1 254.378 -0.181 20 30 CBEDMP C=CCN1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220868063 825114813 /nfs/dbraw/zinc/11/48/13/825114813.db2.gz AGFSFLBIOLLASE-RYUDHWBXSA-N 2 1 254.378 -0.181 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220868668 825117679 /nfs/dbraw/zinc/11/76/79/825117679.db2.gz OEIVNKHMTDGTSJ-JLNYLFASSA-N 2 1 278.400 -0.025 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976422 825132465 /nfs/dbraw/zinc/13/24/65/825132465.db2.gz YUKWMSXTFBDZLB-MCIONIFRSA-N 2 1 297.399 -0.698 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976422 825132467 /nfs/dbraw/zinc/13/24/67/825132467.db2.gz YUKWMSXTFBDZLB-MCIONIFRSA-N 2 1 297.399 -0.698 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976422 825132469 /nfs/dbraw/zinc/13/24/69/825132469.db2.gz YUKWMSXTFBDZLB-MCIONIFRSA-N 2 1 297.399 -0.698 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079410 825141901 /nfs/dbraw/zinc/14/19/01/825141901.db2.gz YEDGTPBHWWLKSX-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079410 825141909 /nfs/dbraw/zinc/14/19/09/825141909.db2.gz YEDGTPBHWWLKSX-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCOC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(=O)OCC=C ZINC001245990717 825618609 /nfs/dbraw/zinc/61/86/09/825618609.db2.gz AOGNIHHQWAQTQW-KBPBESRZSA-N 2 1 298.383 -0.187 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COC ZINC001245998194 825619583 /nfs/dbraw/zinc/61/95/83/825619583.db2.gz DPFGOZNIAYODJA-RYUDHWBXSA-N 2 1 274.361 -0.190 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019894 825622649 /nfs/dbraw/zinc/62/26/49/825622649.db2.gz AZRCGDHRNKRLQW-IHRRRGAJSA-N 2 1 267.373 -0.977 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019894 825622652 /nfs/dbraw/zinc/62/26/52/825622652.db2.gz AZRCGDHRNKRLQW-IHRRRGAJSA-N 2 1 267.373 -0.977 20 30 CBEDMP C#CCOC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019894 825622656 /nfs/dbraw/zinc/62/26/56/825622656.db2.gz AZRCGDHRNKRLQW-IHRRRGAJSA-N 2 1 267.373 -0.977 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246021521 825624867 /nfs/dbraw/zinc/62/48/67/825624867.db2.gz NQXNXTFPFADLBW-QWHCGFSZSA-N 2 1 256.346 -0.827 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246028098 825625653 /nfs/dbraw/zinc/62/56/53/825625653.db2.gz ZYAJICSCFWORIS-OLZOCXBDSA-N 2 1 258.362 -0.274 20 30 CBEDMP C=C[C@@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246048492 825629499 /nfs/dbraw/zinc/62/94/99/825629499.db2.gz XWJVNUXMHZGPJP-VVSAWPALSA-N 2 1 280.368 -0.136 20 30 CBEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246555037 825684105 /nfs/dbraw/zinc/68/41/05/825684105.db2.gz ARFGNMCIUOKEGP-RWMBFGLXSA-N 2 1 252.362 -0.194 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001251843616 825794168 /nfs/dbraw/zinc/79/41/68/825794168.db2.gz KVPDIWWRIFPKJZ-HRCADAONSA-N 2 1 295.427 -0.293 20 30 CBEDMP C#CCOC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001251851920 825795054 /nfs/dbraw/zinc/79/50/54/825795054.db2.gz WDIRAMDOKNYECU-INIZCTEOSA-N 2 1 295.427 -0.290 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001251854404 825797584 /nfs/dbraw/zinc/79/75/84/825797584.db2.gz CGBGJCXTIWKZPC-MGPQQGTHSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001251854404 825797587 /nfs/dbraw/zinc/79/75/87/825797587.db2.gz CGBGJCXTIWKZPC-MGPQQGTHSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001251887840 825802416 /nfs/dbraw/zinc/80/24/16/825802416.db2.gz KLEICYHCKJUTBV-ZDUSSCGKSA-N 2 1 256.346 -0.957 20 30 CBEDMP N#C[C@H]1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001254637653 825967221 /nfs/dbraw/zinc/96/72/21/825967221.db2.gz SZPFHMQIAGSMSE-STQMWFEESA-N 2 1 255.362 -0.055 20 30 CBEDMP CCC[N@H+](C)CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001265253037 826861711 /nfs/dbraw/zinc/86/17/11/826861711.db2.gz HTJNOSZKIRZLLW-UHFFFAOYSA-N 2 1 295.431 -0.024 20 30 CBEDMP CCC[N@@H+](C)CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001265253037 826861719 /nfs/dbraw/zinc/86/17/19/826861719.db2.gz HTJNOSZKIRZLLW-UHFFFAOYSA-N 2 1 295.431 -0.024 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOC)C1 ZINC001265482999 826898315 /nfs/dbraw/zinc/89/83/15/826898315.db2.gz FZTOHKFGLCBBME-IHRRRGAJSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOC)C1 ZINC001265482999 826898329 /nfs/dbraw/zinc/89/83/29/826898329.db2.gz FZTOHKFGLCBBME-IHRRRGAJSA-N 2 1 279.384 -0.033 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265489802 826900216 /nfs/dbraw/zinc/90/02/16/826900216.db2.gz SZYICGPSMIIKLF-JHJVBQTASA-N 2 1 294.399 -0.380 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C[C@@H](O)COC ZINC001265785162 826918716 /nfs/dbraw/zinc/91/87/16/826918716.db2.gz APGMVJMSYOLKKA-MJBXVCDLSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C[C@@H](O)COC ZINC001265785162 826918719 /nfs/dbraw/zinc/91/87/19/826918719.db2.gz APGMVJMSYOLKKA-MJBXVCDLSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001265840790 826928148 /nfs/dbraw/zinc/92/81/48/826928148.db2.gz BKSSSOIOKCSZCG-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265895467 826935607 /nfs/dbraw/zinc/93/56/07/826935607.db2.gz LZWBHMCBCPTCEB-STQMWFEESA-N 2 1 294.399 -0.427 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](O)COC ZINC001266284325 826972202 /nfs/dbraw/zinc/97/22/02/826972202.db2.gz BEFKHBJHAVRQJI-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H](O)COC ZINC001266284325 826972204 /nfs/dbraw/zinc/97/22/04/826972204.db2.gz BEFKHBJHAVRQJI-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](O)COC ZINC001266284325 826972206 /nfs/dbraw/zinc/97/22/06/826972206.db2.gz BEFKHBJHAVRQJI-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](O)COC ZINC001266284325 826972207 /nfs/dbraw/zinc/97/22/07/826972207.db2.gz BEFKHBJHAVRQJI-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001266358019 826989634 /nfs/dbraw/zinc/98/96/34/826989634.db2.gz KJRULQXHQUJTJY-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001266358019 826989640 /nfs/dbraw/zinc/98/96/40/826989640.db2.gz KJRULQXHQUJTJY-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001266690308 827051991 /nfs/dbraw/zinc/05/19/91/827051991.db2.gz HNGVQGMVYAEUBV-XQQFMLRXSA-N 2 1 292.383 -0.933 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001266690308 827052002 /nfs/dbraw/zinc/05/20/02/827052002.db2.gz HNGVQGMVYAEUBV-XQQFMLRXSA-N 2 1 292.383 -0.933 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266732424 827058223 /nfs/dbraw/zinc/05/82/23/827058223.db2.gz HDEMQKYTXXMLIA-MJBXVCDLSA-N 2 1 279.384 -0.033 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266732424 827058233 /nfs/dbraw/zinc/05/82/33/827058233.db2.gz HDEMQKYTXXMLIA-MJBXVCDLSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266930133 827090029 /nfs/dbraw/zinc/09/00/29/827090029.db2.gz OPJWRERWISBTSS-NWDGAFQWSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266930133 827090040 /nfs/dbraw/zinc/09/00/40/827090040.db2.gz OPJWRERWISBTSS-NWDGAFQWSA-N 2 1 253.346 -0.565 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266930381 827090367 /nfs/dbraw/zinc/09/03/67/827090367.db2.gz SWVVIWHDZDRTDU-OLZOCXBDSA-N 2 1 283.372 -0.939 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266930381 827090373 /nfs/dbraw/zinc/09/03/73/827090373.db2.gz SWVVIWHDZDRTDU-OLZOCXBDSA-N 2 1 283.372 -0.939 20 30 CBEDMP C#CC[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001267148217 827118421 /nfs/dbraw/zinc/11/84/21/827118421.db2.gz POBCVPJPRNOQSU-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267455690 827174295 /nfs/dbraw/zinc/17/42/95/827174295.db2.gz BZCURJUWKHCGKU-GFCCVEGCSA-N 2 1 295.387 -0.984 20 30 CBEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268014864 827241876 /nfs/dbraw/zinc/24/18/76/827241876.db2.gz YTVFFEICKOGMNR-UONOGXRCSA-N 2 1 281.400 -0.070 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001268308993 827290872 /nfs/dbraw/zinc/29/08/72/827290872.db2.gz RBIFIUMBGZXROA-GJZGRUSLSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001268308993 827290878 /nfs/dbraw/zinc/29/08/78/827290878.db2.gz RBIFIUMBGZXROA-GJZGRUSLSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268314810 827294276 /nfs/dbraw/zinc/29/42/76/827294276.db2.gz LSHVPXWUUCXUFH-NWDGAFQWSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268317278 827295484 /nfs/dbraw/zinc/29/54/84/827295484.db2.gz QEMWVMVVHDUIHH-VXGBXAGGSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268335290 827308203 /nfs/dbraw/zinc/30/82/03/827308203.db2.gz RIRNGUQIURUPQN-ZIAGYGMSSA-N 2 1 281.400 -0.049 20 30 CBEDMP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268424725 827325766 /nfs/dbraw/zinc/32/57/66/827325766.db2.gz XKSODTRCJMLUNQ-NEPJUHHUSA-N 2 1 295.387 -0.938 20 30 CBEDMP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268424732 827326670 /nfs/dbraw/zinc/32/66/70/827326670.db2.gz XKSODTRCJMLUNQ-RYUDHWBXSA-N 2 1 295.387 -0.938 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001268673863 827399861 /nfs/dbraw/zinc/39/98/61/827399861.db2.gz LOZCMMUTKQHQDS-GFCCVEGCSA-N 2 1 282.388 -0.830 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001270371504 827562224 /nfs/dbraw/zinc/56/22/24/827562224.db2.gz HXXVRDDDUSIFCB-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCO ZINC001270426631 827567500 /nfs/dbraw/zinc/56/75/00/827567500.db2.gz BEATVEOPWVVZHU-OLZOCXBDSA-N 2 1 267.373 -0.582 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCO ZINC001270426631 827567505 /nfs/dbraw/zinc/56/75/05/827567505.db2.gz BEATVEOPWVVZHU-OLZOCXBDSA-N 2 1 267.373 -0.582 20 30 CBEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271208311 827676182 /nfs/dbraw/zinc/67/61/82/827676182.db2.gz IRLAFFHDFRZQDY-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271208311 827676183 /nfs/dbraw/zinc/67/61/83/827676183.db2.gz IRLAFFHDFRZQDY-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271208311 827676186 /nfs/dbraw/zinc/67/61/86/827676186.db2.gz IRLAFFHDFRZQDY-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272307127 827778875 /nfs/dbraw/zinc/77/88/75/827778875.db2.gz LMSPDJWQWIIUOR-ZDUSSCGKSA-N 2 1 269.389 -0.075 20 30 CBEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272306988 827779265 /nfs/dbraw/zinc/77/92/65/827779265.db2.gz HOAWFEYRGOTVOL-ZDUSSCGKSA-N 2 1 267.373 -0.628 20 30 CBEDMP CC#CC[NH2+]CCN(CCO)C(=O)C[N@@H+](C)C(C)C ZINC001272315870 827779887 /nfs/dbraw/zinc/77/98/87/827779887.db2.gz XVPZJXORBONHPZ-UHFFFAOYSA-N 2 1 269.389 -0.240 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272455742 827799772 /nfs/dbraw/zinc/79/97/72/827799772.db2.gz VNYMZGAYYYGFRK-RYUDHWBXSA-N 2 1 255.362 -0.277 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001278736939 828278301 /nfs/dbraw/zinc/27/83/01/828278301.db2.gz DQERIBIAUARWPT-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332664553 887397344 /nfs/dbraw/zinc/39/73/44/887397344.db2.gz VGDICYMWGPYBFW-UONOGXRCSA-N 2 1 283.416 -0.043 20 30 CBEDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001346276773 890252119 /nfs/dbraw/zinc/25/21/19/890252119.db2.gz RNRBNVSXNSMIQO-YPMHNXCESA-N 2 1 255.362 -0.057 20 30 CBEDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001346276773 890252136 /nfs/dbraw/zinc/25/21/36/890252136.db2.gz RNRBNVSXNSMIQO-YPMHNXCESA-N 2 1 255.362 -0.057 20 30 CBEDMP C=CCC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252612583 884802267 /nfs/dbraw/zinc/80/22/67/884802267.db2.gz PDJIJBBWPKHYCO-ZDUSSCGKSA-N 2 1 260.378 -0.420 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314970 884762065 /nfs/dbraw/zinc/76/20/65/884762065.db2.gz HMBIMACWIVUAHE-CHWSQXEVSA-N 2 1 267.373 -0.366 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378615 884779115 /nfs/dbraw/zinc/77/91/15/884779115.db2.gz ZATWIBDXCIZNKY-ZIAGYGMSSA-N 2 1 299.415 -0.044 20 30 CBEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278821686 884820306 /nfs/dbraw/zinc/82/03/06/884820306.db2.gz MHFWSPQKAKBCAL-TZMCWYRMSA-N 2 1 267.373 -0.323 20 30 CBEDMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001326584787 885075959 /nfs/dbraw/zinc/07/59/59/885075959.db2.gz YQUDQNBVTSVYRL-RYUDHWBXSA-N 2 1 290.371 -0.086 20 30 CBEDMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001328388391 885665960 /nfs/dbraw/zinc/66/59/60/885665960.db2.gz DTBDFFPHJPFDKV-NWDGAFQWSA-N 2 1 295.387 -0.795 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCO)C1CC1 ZINC001331287700 886764870 /nfs/dbraw/zinc/76/48/70/886764870.db2.gz GMJHIHYMEBNTRF-LSDHHAIUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCO)C1CC1 ZINC001331287700 886764881 /nfs/dbraw/zinc/76/48/81/886764881.db2.gz GMJHIHYMEBNTRF-LSDHHAIUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331630781 886873195 /nfs/dbraw/zinc/87/31/95/886873195.db2.gz JQFCRXRMFYVAES-OLZOCXBDSA-N 2 1 296.415 -0.323 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)CC[N@H+](C)CC ZINC001331824441 887002830 /nfs/dbraw/zinc/00/28/30/887002830.db2.gz INUZGCFOJAGUNN-GFCCVEGCSA-N 2 1 255.362 -0.582 20 30 CBEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001346276771 890254233 /nfs/dbraw/zinc/25/42/33/890254233.db2.gz RNRBNVSXNSMIQO-WCQYABFASA-N 2 1 255.362 -0.057 20 30 CBEDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001346276771 890254249 /nfs/dbraw/zinc/25/42/49/890254249.db2.gz RNRBNVSXNSMIQO-WCQYABFASA-N 2 1 255.362 -0.057 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001348199506 890572792 /nfs/dbraw/zinc/57/27/92/890572792.db2.gz GQHSWFXPJLLGMB-ILXRZTDVSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001348199506 890572798 /nfs/dbraw/zinc/57/27/98/890572798.db2.gz GQHSWFXPJLLGMB-ILXRZTDVSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001348199506 890572806 /nfs/dbraw/zinc/57/28/06/890572806.db2.gz GQHSWFXPJLLGMB-ILXRZTDVSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001348199506 890572815 /nfs/dbraw/zinc/57/28/15/890572815.db2.gz GQHSWFXPJLLGMB-ILXRZTDVSA-N 2 1 290.411 -0.412 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001349473614 890820022 /nfs/dbraw/zinc/82/00/22/890820022.db2.gz NSTXGFKHEKAYSU-LBPRGKRZSA-N 2 1 295.387 -0.712 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001352535908 891269415 /nfs/dbraw/zinc/26/94/15/891269415.db2.gz MDWKQZHHTNTYOX-DZGCQCFKSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001352535908 891269431 /nfs/dbraw/zinc/26/94/31/891269431.db2.gz MDWKQZHHTNTYOX-DZGCQCFKSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001502600406 921371723 /nfs/dbraw/zinc/37/17/23/921371723.db2.gz UVWGTZYFCAWPEY-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001507063601 921665292 /nfs/dbraw/zinc/66/52/92/921665292.db2.gz RUDJUMJSGOHKIL-RYUDHWBXSA-N 2 1 295.387 -0.843 20 30 CBEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001507182161 921719475 /nfs/dbraw/zinc/71/94/75/921719475.db2.gz HJBFXWKNHLLHET-RYUDHWBXSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507233718 921766692 /nfs/dbraw/zinc/76/66/92/921766692.db2.gz TYUFVYZXJOKLSU-NWDGAFQWSA-N 2 1 253.346 -0.972 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001477869474 916019216 /nfs/dbraw/zinc/01/92/16/916019216.db2.gz YMJGDLJYJXXDAD-AWEZNQCLSA-N 2 1 295.431 -0.514 20 30 CBEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001480010954 916255455 /nfs/dbraw/zinc/25/54/55/916255455.db2.gz SHGFVFUWEKGNDE-CHWSQXEVSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001480010954 916255471 /nfs/dbraw/zinc/25/54/71/916255471.db2.gz SHGFVFUWEKGNDE-CHWSQXEVSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480122210 916296218 /nfs/dbraw/zinc/29/62/18/916296218.db2.gz WBZLRCCVPGDSOS-ZDUSSCGKSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480636651 916507575 /nfs/dbraw/zinc/50/75/75/916507575.db2.gz FBJLRLUFSLCWKG-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480636651 916507582 /nfs/dbraw/zinc/50/75/82/916507582.db2.gz FBJLRLUFSLCWKG-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC ZINC001480771400 916533452 /nfs/dbraw/zinc/53/34/52/916533452.db2.gz SJPSRRCUOMPYLV-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC ZINC001480771400 916533466 /nfs/dbraw/zinc/53/34/66/916533466.db2.gz SJPSRRCUOMPYLV-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001480907161 916623346 /nfs/dbraw/zinc/62/33/46/916623346.db2.gz AUHCEMYSXSUZRA-CYBMUJFWSA-N 2 1 296.415 -0.227 20 30 CBEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001480907161 916623354 /nfs/dbraw/zinc/62/33/54/916623354.db2.gz AUHCEMYSXSUZRA-CYBMUJFWSA-N 2 1 296.415 -0.227 20 30 CBEDMP COCC#CC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001481314422 916815379 /nfs/dbraw/zinc/81/53/79/916815379.db2.gz GESCYJTYBFXQAB-UHFFFAOYSA-N 2 1 278.356 -0.111 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482269502 917108924 /nfs/dbraw/zinc/10/89/24/917108924.db2.gz PFIMKAWGHGPNAW-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482269502 917108934 /nfs/dbraw/zinc/10/89/34/917108934.db2.gz PFIMKAWGHGPNAW-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482587171 917168305 /nfs/dbraw/zinc/16/83/05/917168305.db2.gz AFDRAUDPGKZEIQ-GFCCVEGCSA-N 2 1 255.362 -0.107 20 30 CBEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482587171 917168314 /nfs/dbraw/zinc/16/83/14/917168314.db2.gz AFDRAUDPGKZEIQ-GFCCVEGCSA-N 2 1 255.362 -0.107 20 30 CBEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001482587171 917168291 /nfs/dbraw/zinc/16/82/91/917168291.db2.gz AFDRAUDPGKZEIQ-GFCCVEGCSA-N 2 1 255.362 -0.107 20 30 CBEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482587171 917168270 /nfs/dbraw/zinc/16/82/70/917168270.db2.gz AFDRAUDPGKZEIQ-GFCCVEGCSA-N 2 1 255.362 -0.107 20 30 CBEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482650061 917196994 /nfs/dbraw/zinc/19/69/94/917196994.db2.gz RNGSIRQTSMFKDS-CQSZACIVSA-N 2 1 281.400 -0.022 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001482742529 917246718 /nfs/dbraw/zinc/24/67/18/917246718.db2.gz RWRFWUOCSLHLAC-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001482913723 917335467 /nfs/dbraw/zinc/33/54/67/917335467.db2.gz BIPVBKXJUNMFEB-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001483194384 917461367 /nfs/dbraw/zinc/46/13/67/917461367.db2.gz AAHWNZCZJYXEBV-GFCCVEGCSA-N 2 1 278.356 -0.064 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484208064 917763412 /nfs/dbraw/zinc/76/34/12/917763412.db2.gz LGPUPFFPXBIVQT-HIFRSBDPSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484208064 917763429 /nfs/dbraw/zinc/76/34/29/917763429.db2.gz LGPUPFFPXBIVQT-HIFRSBDPSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484208064 917763448 /nfs/dbraw/zinc/76/34/48/917763448.db2.gz LGPUPFFPXBIVQT-HIFRSBDPSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001484490957 917872326 /nfs/dbraw/zinc/87/23/26/917872326.db2.gz JABIJIDQWIPCGG-KBPBESRZSA-N 2 1 281.400 -0.240 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001486032391 918327833 /nfs/dbraw/zinc/32/78/33/918327833.db2.gz ALFQWGJEKNABNN-CHWSQXEVSA-N 2 1 290.367 -0.546 20 30 CBEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490649453 918949881 /nfs/dbraw/zinc/94/98/81/918949881.db2.gz SWXUBHZPCHMDCC-OLZOCXBDSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490649453 918949901 /nfs/dbraw/zinc/94/99/01/918949901.db2.gz SWXUBHZPCHMDCC-OLZOCXBDSA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001491005435 919003288 /nfs/dbraw/zinc/00/32/88/919003288.db2.gz ZDVHILYNMZGZAV-FRRDWIJNSA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001491005435 919003293 /nfs/dbraw/zinc/00/32/93/919003293.db2.gz ZDVHILYNMZGZAV-FRRDWIJNSA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491080583 919025417 /nfs/dbraw/zinc/02/54/17/919025417.db2.gz QCRXCUYZZNMPFH-BETUJISGSA-N 2 1 294.399 -0.687 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOC ZINC001491487168 919183003 /nfs/dbraw/zinc/18/30/03/919183003.db2.gz WGLSEQWUZPGXMU-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOC ZINC001491487168 919183011 /nfs/dbraw/zinc/18/30/11/919183011.db2.gz WGLSEQWUZPGXMU-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001491529990 919195665 /nfs/dbraw/zinc/19/56/65/919195665.db2.gz UTRJYCWKWAEODC-GFCCVEGCSA-N 2 1 278.356 -0.064 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493501871 919564276 /nfs/dbraw/zinc/56/42/76/919564276.db2.gz XTYIPEKJSHHWQV-LBPRGKRZSA-N 2 1 282.388 -0.569 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001493501870 919564858 /nfs/dbraw/zinc/56/48/58/919564858.db2.gz XTYIPEKJSHHWQV-GFCCVEGCSA-N 2 1 282.388 -0.569 20 30 CBEDMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC#CCOC ZINC001494960989 919827822 /nfs/dbraw/zinc/82/78/22/919827822.db2.gz YYGMSDJLYFMLHX-KGLIPLIRSA-N 2 1 297.399 -0.549 20 30 CBEDMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC#CCOC ZINC001494960989 919827841 /nfs/dbraw/zinc/82/78/41/919827841.db2.gz YYGMSDJLYFMLHX-KGLIPLIRSA-N 2 1 297.399 -0.549 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496978941 920190988 /nfs/dbraw/zinc/19/09/88/920190988.db2.gz LZHQXVGRBVJMEV-JHJVBQTASA-N 2 1 267.373 -0.583 20 30 CBEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001497991425 920434001 /nfs/dbraw/zinc/43/40/01/920434001.db2.gz QNOOCWAOVHRRIY-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001497991425 920434010 /nfs/dbraw/zinc/43/40/10/920434010.db2.gz QNOOCWAOVHRRIY-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001498060059 920462981 /nfs/dbraw/zinc/46/29/81/920462981.db2.gz LYFRFRFIASJABN-QWHCGFSZSA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001498072081 920469029 /nfs/dbraw/zinc/46/90/29/920469029.db2.gz BKCIGPRHIRBLKX-NSHDSACASA-N 2 1 293.371 -0.412 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498448968 920587649 /nfs/dbraw/zinc/58/76/49/920587649.db2.gz AQMAEFYLLGYSMN-STQMWFEESA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498448968 920587657 /nfs/dbraw/zinc/58/76/57/920587657.db2.gz AQMAEFYLLGYSMN-STQMWFEESA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498448968 920587662 /nfs/dbraw/zinc/58/76/62/920587662.db2.gz AQMAEFYLLGYSMN-STQMWFEESA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498448968 920587674 /nfs/dbraw/zinc/58/76/74/920587674.db2.gz AQMAEFYLLGYSMN-STQMWFEESA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001500702370 920861649 /nfs/dbraw/zinc/86/16/49/920861649.db2.gz ZWBCKGGVDUIUSF-CQSZACIVSA-N 2 1 276.340 -0.622 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001500702370 920861663 /nfs/dbraw/zinc/86/16/63/920861663.db2.gz ZWBCKGGVDUIUSF-CQSZACIVSA-N 2 1 276.340 -0.622 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001521504589 922359908 /nfs/dbraw/zinc/35/99/08/922359908.db2.gz YVNVAOGMLCVFAN-AWEZNQCLSA-N 2 1 278.400 -0.552 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179612 351580690 /nfs/dbraw/zinc/58/06/90/351580690.db2.gz WZBROZTXECFTPG-LLVKDONJSA-N 2 1 268.361 -0.925 20 30 CBEDMP [NH2+]=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CCOCC1 ZINC000090064931 351737599 /nfs/dbraw/zinc/73/75/99/351737599.db2.gz OCQZEBSRKJWJQU-STQMWFEESA-N 2 1 282.388 -0.113 20 30 CBEDMP [NH2+]=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)N1CCOCC1 ZINC000090064931 351737602 /nfs/dbraw/zinc/73/76/02/351737602.db2.gz OCQZEBSRKJWJQU-STQMWFEESA-N 2 1 282.388 -0.113 20 30 CBEDMP O[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](O)C2)C1 ZINC000341836227 353217662 /nfs/dbraw/zinc/21/76/62/353217662.db2.gz PZBYDECJPIGSDD-ZIAGYGMSSA-N 2 1 252.358 -0.097 20 30 CBEDMP O[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000341836227 353217665 /nfs/dbraw/zinc/21/76/65/353217665.db2.gz PZBYDECJPIGSDD-ZIAGYGMSSA-N 2 1 252.358 -0.097 20 30 CBEDMP CN(CCC[N@@H+](C)CC(=O)NCC#N)CC[NH+](C)C ZINC000344026942 353303252 /nfs/dbraw/zinc/30/32/52/353303252.db2.gz KEMXPZCSLYYXBE-UHFFFAOYSA-N 2 1 269.393 -0.559 20 30 CBEDMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCC#N ZINC000344192831 353304325 /nfs/dbraw/zinc/30/43/25/353304325.db2.gz YYXQSXCOQKVFAD-UHFFFAOYSA-N 2 1 295.431 -0.024 20 30 CBEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCC#N ZINC000344192831 353304329 /nfs/dbraw/zinc/30/43/29/353304329.db2.gz YYXQSXCOQKVFAD-UHFFFAOYSA-N 2 1 295.431 -0.024 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362826295 353668370 /nfs/dbraw/zinc/66/83/70/353668370.db2.gz MKCFIKPKMYDUFF-CHWSQXEVSA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362826295 353668373 /nfs/dbraw/zinc/66/83/73/353668373.db2.gz MKCFIKPKMYDUFF-CHWSQXEVSA-N 2 1 294.399 -0.427 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000491339650 354455226 /nfs/dbraw/zinc/45/52/26/354455226.db2.gz RKBHVLHZIXXOHY-CYBMUJFWSA-N 2 1 282.388 -0.381 20 30 CBEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600723155 355563375 /nfs/dbraw/zinc/56/33/75/355563375.db2.gz AWTZQFAJZGRNHU-ZDUSSCGKSA-N 2 1 294.399 -0.205 20 30 CBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603430702 355715507 /nfs/dbraw/zinc/71/55/07/355715507.db2.gz BTVDKNXTSCNXSA-DTWKUNHWSA-N 2 1 254.334 -0.286 20 30 CBEDMP CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000611302352 355800714 /nfs/dbraw/zinc/80/07/14/355800714.db2.gz KXFJMAFSYOPJPH-TXEJJXNPSA-N 2 1 250.346 -0.100 20 30 CBEDMP C#CCNC(NCCN1CCC[N@@H+](C)CC1)=[NH+]C ZINC000262614721 372910901 /nfs/dbraw/zinc/91/09/01/372910901.db2.gz LBUIMLTXKXMQIA-UHFFFAOYSA-N 2 1 251.378 -0.578 20 30 CBEDMP Cn1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000104179441 220201777 /nfs/dbraw/zinc/20/17/77/220201777.db2.gz GETVVFAIDAYUDT-UHFFFAOYSA-N 2 1 280.376 -0.453 20 30 CBEDMP C=CCN(CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000191097292 220234204 /nfs/dbraw/zinc/23/42/04/220234204.db2.gz NLKBLINHXRLAED-UHFFFAOYSA-N 2 1 255.362 -0.105 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174675 220235876 /nfs/dbraw/zinc/23/58/76/220235876.db2.gz FNRPILSJEYCODQ-VXGBXAGGSA-N 2 1 282.388 -0.536 20 30 CBEDMP C[NH+]=C(NCCn1cccc1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000261769810 220244562 /nfs/dbraw/zinc/24/45/62/220244562.db2.gz NVYDJCXIQBDPBP-AWEZNQCLSA-N 2 1 292.431 -0.101 20 30 CBEDMP C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261819943 220246632 /nfs/dbraw/zinc/24/66/32/220246632.db2.gz UJICCKDJKOVEPI-ZWNOBZJWSA-N 2 1 293.415 -0.087 20 30 CBEDMP C[C@H]1C[NH+]=C(NCCN2CC[N@@H+](C)C(C)(C)C2)N1 ZINC000262688754 220254566 /nfs/dbraw/zinc/25/45/66/220254566.db2.gz ZOLXSVFCDSQSCP-NSHDSACASA-N 2 1 253.394 -0.050 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150713 176045287 /nfs/dbraw/zinc/04/52/87/176045287.db2.gz YGCMTNUBAHHUCL-LBPRGKRZSA-N 2 1 254.378 -0.486 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150713 176045288 /nfs/dbraw/zinc/04/52/88/176045288.db2.gz YGCMTNUBAHHUCL-LBPRGKRZSA-N 2 1 254.378 -0.486 20 30 CBEDMP C#CC[N@@H+](C)CCCNC[C@H](O)C[NH+](C)C1CC1 ZINC000327952062 330259943 /nfs/dbraw/zinc/25/99/43/330259943.db2.gz AGGXVYPHCZWTSO-AWEZNQCLSA-N 3 1 253.390 -0.014 20 30 CBEDMP C#CC[NH+](C)CCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000327952062 330259945 /nfs/dbraw/zinc/25/99/45/330259945.db2.gz AGGXVYPHCZWTSO-AWEZNQCLSA-N 3 1 253.390 -0.014 20 30 CBEDMP C#CC[NH+](C)CCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000327952062 330259947 /nfs/dbraw/zinc/25/99/47/330259947.db2.gz AGGXVYPHCZWTSO-AWEZNQCLSA-N 3 1 253.390 -0.014 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000328108589 330313989 /nfs/dbraw/zinc/31/39/89/330313989.db2.gz NJCNLEXZSDCRIG-ZDUSSCGKSA-N 2 1 250.346 -0.211 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000328108589 330313990 /nfs/dbraw/zinc/31/39/90/330313990.db2.gz NJCNLEXZSDCRIG-ZDUSSCGKSA-N 2 1 250.346 -0.211 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)NCC(F)(F)C[NH3+] ZINC000491340692 332193804 /nfs/dbraw/zinc/19/38/04/332193804.db2.gz ZMYGKPNJYQOMFL-UHFFFAOYSA-N 2 1 262.304 -0.165 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC(F)(F)C[NH3+] ZINC000491340692 332193805 /nfs/dbraw/zinc/19/38/05/332193805.db2.gz ZMYGKPNJYQOMFL-UHFFFAOYSA-N 2 1 262.304 -0.165 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000491381460 332201236 /nfs/dbraw/zinc/20/12/36/332201236.db2.gz FIJNAUNAHKIXEO-BETUJISGSA-N 2 1 264.373 -0.198 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000491672168 332278918 /nfs/dbraw/zinc/27/89/18/332278918.db2.gz OUDWNEZHJBDBJM-ZDUSSCGKSA-N 2 1 281.404 -0.774 20 30 CBEDMP C#CCNC(=O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000491743727 332321837 /nfs/dbraw/zinc/32/18/37/332321837.db2.gz KZJPIRVQKBIQEI-UHFFFAOYSA-N 2 1 280.416 -0.305 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000491786659 332349298 /nfs/dbraw/zinc/34/92/98/332349298.db2.gz UQEFTVVCZYHEBT-LBPRGKRZSA-N 2 1 253.346 -0.828 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000491820054 332369909 /nfs/dbraw/zinc/36/99/09/332369909.db2.gz WQEHVQMXHDZEMY-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000491820054 332369910 /nfs/dbraw/zinc/36/99/10/332369910.db2.gz WQEHVQMXHDZEMY-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000491820054 332369911 /nfs/dbraw/zinc/36/99/11/332369911.db2.gz WQEHVQMXHDZEMY-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000491820054 332369912 /nfs/dbraw/zinc/36/99/12/332369912.db2.gz WQEHVQMXHDZEMY-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000189743088 333198704 /nfs/dbraw/zinc/19/87/04/333198704.db2.gz UZQMVULEABIGDS-AWEZNQCLSA-N 2 1 293.411 -0.143 20 30 CBEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104172380 582113197 /nfs/dbraw/zinc/11/31/97/582113197.db2.gz TZXZCNMRWARTDT-CQSZACIVSA-N 2 1 297.447 -0.045 20 30 CBEDMP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104172380 582113198 /nfs/dbraw/zinc/11/31/98/582113198.db2.gz TZXZCNMRWARTDT-CQSZACIVSA-N 3 1 297.447 -0.045 20 30 CBEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104172380 582113199 /nfs/dbraw/zinc/11/31/99/582113199.db2.gz TZXZCNMRWARTDT-CQSZACIVSA-N 3 1 297.447 -0.045 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000764508797 582323664 /nfs/dbraw/zinc/32/36/64/582323664.db2.gz ROUOGCVSCZFGIN-UHFFFAOYSA-N 2 1 282.388 -0.616 20 30 CBEDMP OCC[NH+]1CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000819812715 582542923 /nfs/dbraw/zinc/54/29/23/582542923.db2.gz GRBJRWVUSYLPCJ-UHFFFAOYSA-N 2 1 284.404 -0.258 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831091656 582956522 /nfs/dbraw/zinc/95/65/22/582956522.db2.gz AJCMDIASZPTWDX-ZDUSSCGKSA-N 2 1 252.362 -0.007 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000838623743 583151883 /nfs/dbraw/zinc/15/18/83/583151883.db2.gz KJIGBOHIFFJUPP-CQSZACIVSA-N 2 1 284.404 -0.447 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848525214 583450054 /nfs/dbraw/zinc/45/00/54/583450054.db2.gz LYXIRTMDZVRAMU-AWEZNQCLSA-N 2 1 279.384 -0.031 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[NH+](C)C ZINC000848996653 583465281 /nfs/dbraw/zinc/46/52/81/583465281.db2.gz NGMAJOYCIQVNHE-LBPRGKRZSA-N 2 1 271.409 -0.566 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851662612 583518861 /nfs/dbraw/zinc/51/88/61/583518861.db2.gz XZMZDZACWSEUHB-UHFFFAOYSA-N 2 1 264.373 -0.007 20 30 CBEDMP C#CCOCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000851886605 583530465 /nfs/dbraw/zinc/53/04/65/583530465.db2.gz IOHQOVCBDMRUKK-UHFFFAOYSA-N 2 1 282.384 -0.205 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708298 583550729 /nfs/dbraw/zinc/55/07/29/583550729.db2.gz WEOYCGDNPRUSJU-CQSZACIVSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708298 583550731 /nfs/dbraw/zinc/55/07/31/583550731.db2.gz WEOYCGDNPRUSJU-CQSZACIVSA-N 2 1 279.384 -0.343 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000852863793 583563167 /nfs/dbraw/zinc/56/31/67/583563167.db2.gz IPCMKQIRNRFURB-HUUCEWRRSA-N 2 1 291.395 -0.031 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000852863791 583563448 /nfs/dbraw/zinc/56/34/48/583563448.db2.gz IPCMKQIRNRFURB-CABCVRRESA-N 2 1 291.395 -0.031 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000862649377 583813905 /nfs/dbraw/zinc/81/39/05/583813905.db2.gz XUGVLJUQMCCRCM-LBPRGKRZSA-N 2 1 282.388 -0.440 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707794 583927840 /nfs/dbraw/zinc/92/78/40/583927840.db2.gz KBOAKKQOOLDMHN-UTUOFQBUSA-N 2 1 294.355 -0.845 20 30 CBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707794 583927841 /nfs/dbraw/zinc/92/78/41/583927841.db2.gz KBOAKKQOOLDMHN-UTUOFQBUSA-N 2 1 294.355 -0.845 20 30 CBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000876783385 584144556 /nfs/dbraw/zinc/14/45/56/584144556.db2.gz AKHBYTIHACLSID-GHMZBOCLSA-N 2 1 274.796 -0.182 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000888858092 584507714 /nfs/dbraw/zinc/50/77/14/584507714.db2.gz LVKWMGKOUJJPFJ-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000888858092 584507717 /nfs/dbraw/zinc/50/77/17/584507717.db2.gz LVKWMGKOUJJPFJ-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000890361543 584548044 /nfs/dbraw/zinc/54/80/44/584548044.db2.gz UFMONOKNFGZRBR-ZIAGYGMSSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000890361543 584548046 /nfs/dbraw/zinc/54/80/46/584548046.db2.gz UFMONOKNFGZRBR-ZIAGYGMSSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000890361543 584548049 /nfs/dbraw/zinc/54/80/49/584548049.db2.gz UFMONOKNFGZRBR-ZIAGYGMSSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000890361543 584548052 /nfs/dbraw/zinc/54/80/52/584548052.db2.gz UFMONOKNFGZRBR-ZIAGYGMSSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000890366782 584548854 /nfs/dbraw/zinc/54/88/54/584548854.db2.gz DPWKYUJODCTFMG-UKRRQHHQSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000890366782 584548857 /nfs/dbraw/zinc/54/88/57/584548857.db2.gz DPWKYUJODCTFMG-UKRRQHHQSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000890366782 584548858 /nfs/dbraw/zinc/54/88/58/584548858.db2.gz DPWKYUJODCTFMG-UKRRQHHQSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000890366782 584548860 /nfs/dbraw/zinc/54/88/60/584548860.db2.gz DPWKYUJODCTFMG-UKRRQHHQSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000890366780 584548896 /nfs/dbraw/zinc/54/88/96/584548896.db2.gz DPWKYUJODCTFMG-DZGCQCFKSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000890366780 584548898 /nfs/dbraw/zinc/54/88/98/584548898.db2.gz DPWKYUJODCTFMG-DZGCQCFKSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000890366780 584548900 /nfs/dbraw/zinc/54/89/00/584548900.db2.gz DPWKYUJODCTFMG-DZGCQCFKSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000890366780 584548903 /nfs/dbraw/zinc/54/89/03/584548903.db2.gz DPWKYUJODCTFMG-DZGCQCFKSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891921300 584594332 /nfs/dbraw/zinc/59/43/32/584594332.db2.gz MOQFRAGXULEODU-RYUDHWBXSA-N 2 1 250.346 -0.303 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891921903 584594464 /nfs/dbraw/zinc/59/44/64/584594464.db2.gz XSYRHCCCQOHHOS-TXEJJXNPSA-N 2 1 252.362 -0.022 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492754 584891747 /nfs/dbraw/zinc/89/17/47/584891747.db2.gz SHKWTHCDDULUHR-OHTBPHCPSA-N 2 1 295.383 -0.111 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939316952 612968685 /nfs/dbraw/zinc/96/86/85/612968685.db2.gz UVARAOYWGHRTEU-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960524836 613044454 /nfs/dbraw/zinc/04/44/54/613044454.db2.gz JDOOJDVRURIVSA-QMIVOQANSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960524836 613044455 /nfs/dbraw/zinc/04/44/55/613044455.db2.gz JDOOJDVRURIVSA-QMIVOQANSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960524836 613044457 /nfs/dbraw/zinc/04/44/57/613044457.db2.gz JDOOJDVRURIVSA-QMIVOQANSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960524836 613044458 /nfs/dbraw/zinc/04/44/58/613044458.db2.gz JDOOJDVRURIVSA-QMIVOQANSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591757 613285826 /nfs/dbraw/zinc/28/58/26/613285826.db2.gz IEYABFDNSNWXFZ-QWHCGFSZSA-N 2 1 277.368 -0.876 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219790 613286652 /nfs/dbraw/zinc/28/66/52/613286652.db2.gz NWJVHSCVSJVFGE-DZGCQCFKSA-N 2 1 298.346 -0.010 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958373244 613288350 /nfs/dbraw/zinc/28/83/50/613288350.db2.gz DSETUSYEFBSFKA-ZIAGYGMSSA-N 2 1 279.384 -0.630 20 30 CBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958268718 613289502 /nfs/dbraw/zinc/28/95/02/613289502.db2.gz XHFCJJGLOYYGDJ-UKRRQHHQSA-N 2 1 298.346 -0.010 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958268717 613303045 /nfs/dbraw/zinc/30/30/45/613303045.db2.gz XHFCJJGLOYYGDJ-HIFRSBDPSA-N 2 1 298.346 -0.010 20 30 CBEDMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCCC#N)C[C@@H]2C1 ZINC000931430974 659465727 /nfs/dbraw/zinc/46/57/27/659465727.db2.gz HJEPOEHYWNSREA-NEPJUHHUSA-N 2 1 250.346 -0.100 20 30 CBEDMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCCC#N)C[C@@H]2C1 ZINC000931430974 659465739 /nfs/dbraw/zinc/46/57/39/659465739.db2.gz HJEPOEHYWNSREA-NEPJUHHUSA-N 2 1 250.346 -0.100 20 30 CBEDMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCCC#N)C[C@@H]2C1 ZINC000931430974 659465766 /nfs/dbraw/zinc/46/57/66/659465766.db2.gz HJEPOEHYWNSREA-NEPJUHHUSA-N 2 1 250.346 -0.100 20 30 CBEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCCC#N)C[C@@H]2C1 ZINC000931430974 659465790 /nfs/dbraw/zinc/46/57/90/659465790.db2.gz HJEPOEHYWNSREA-NEPJUHHUSA-N 2 1 250.346 -0.100 20 30 CBEDMP COC[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170910916 656083100 /nfs/dbraw/zinc/08/31/00/656083100.db2.gz SQBJWEHVPFBYLA-GFCCVEGCSA-N 2 1 272.393 -0.105 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170912737 656083244 /nfs/dbraw/zinc/08/32/44/656083244.db2.gz SFUNEVWFWMINLS-UHFFFAOYSA-N 2 1 290.371 -0.028 20 30 CBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262255164 656130214 /nfs/dbraw/zinc/13/02/14/656130214.db2.gz DTDQHHPXURZEQA-VXGBXAGGSA-N 2 1 269.393 -0.685 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCCOC ZINC000303786987 656139217 /nfs/dbraw/zinc/13/92/17/656139217.db2.gz RYBLSKSKOYDIEP-NSHDSACASA-N 2 1 285.392 -0.862 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303780863 656139538 /nfs/dbraw/zinc/13/95/38/656139538.db2.gz LTKWGEATMIHPDJ-GFCCVEGCSA-N 2 1 281.404 -0.099 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000303701106 656139777 /nfs/dbraw/zinc/13/97/77/656139777.db2.gz IBJMMGSMZJVJEH-AWEZNQCLSA-N 2 1 297.447 -0.032 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@@H+](C)C1 ZINC000304685422 656141037 /nfs/dbraw/zinc/14/10/37/656141037.db2.gz GAVBGXWSMXVXNS-CQSZACIVSA-N 2 1 297.447 -0.175 20 30 CBEDMP C#CC[N@@H+](C)CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000327977110 656149157 /nfs/dbraw/zinc/14/91/57/656149157.db2.gz HUNNPKXIFQYXLT-CQSZACIVSA-N 2 1 253.390 -0.012 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000996684217 656452768 /nfs/dbraw/zinc/45/27/68/656452768.db2.gz GZYMFBOHCXAGNW-AWEZNQCLSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000996684217 656452769 /nfs/dbraw/zinc/45/27/69/656452769.db2.gz GZYMFBOHCXAGNW-AWEZNQCLSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998988691 656598728 /nfs/dbraw/zinc/59/87/28/656598728.db2.gz ZMEIZCAQLRIHSS-BLYZHGLHSA-N 2 1 279.384 -0.082 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998988691 656598735 /nfs/dbraw/zinc/59/87/35/656598735.db2.gz ZMEIZCAQLRIHSS-BLYZHGLHSA-N 2 1 279.384 -0.082 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999392175 656628137 /nfs/dbraw/zinc/62/81/37/656628137.db2.gz QXINGDRIUNOSAY-STQMWFEESA-N 2 1 292.383 -0.850 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999392175 656628142 /nfs/dbraw/zinc/62/81/42/656628142.db2.gz QXINGDRIUNOSAY-STQMWFEESA-N 2 1 292.383 -0.850 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908436321 656725761 /nfs/dbraw/zinc/72/57/61/656725761.db2.gz PCZOWFCQPLWJNX-TZMCWYRMSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908436296 656727999 /nfs/dbraw/zinc/72/79/99/656727999.db2.gz OLHHVXPZPDRZKP-CQSZACIVSA-N 2 1 279.384 -0.222 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)CC[NH+]1CCOCC1 ZINC000913517460 657484888 /nfs/dbraw/zinc/48/48/88/657484888.db2.gz BIUTVQLRKLIYMP-UHFFFAOYSA-N 2 1 253.346 -0.610 20 30 CBEDMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913524437 657492419 /nfs/dbraw/zinc/49/24/19/657492419.db2.gz MPIYAQNFKIODIU-RYUDHWBXSA-N 2 1 253.346 -0.613 20 30 CBEDMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913524437 657492425 /nfs/dbraw/zinc/49/24/25/657492425.db2.gz MPIYAQNFKIODIU-RYUDHWBXSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015823785 657558058 /nfs/dbraw/zinc/55/80/58/657558058.db2.gz ZYUKLFHIRRJXIS-AWEZNQCLSA-N 2 1 289.383 -0.118 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015823785 657558068 /nfs/dbraw/zinc/55/80/68/657558068.db2.gz ZYUKLFHIRRJXIS-AWEZNQCLSA-N 2 1 289.383 -0.118 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001016337646 657694668 /nfs/dbraw/zinc/69/46/68/657694668.db2.gz SOQGKEFHSOVPAW-DZGCQCFKSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020045521 657998548 /nfs/dbraw/zinc/99/85/48/657998548.db2.gz DKCFJIKLFQGZSF-SRVKXCTJSA-N 2 1 253.346 -0.260 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020045521 657998560 /nfs/dbraw/zinc/99/85/60/657998560.db2.gz DKCFJIKLFQGZSF-SRVKXCTJSA-N 2 1 253.346 -0.260 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287940 658034707 /nfs/dbraw/zinc/03/47/07/658034707.db2.gz ROIKICLNZKHNTR-FDYHWXHSSA-N 2 1 265.357 -0.425 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287940 658034719 /nfs/dbraw/zinc/03/47/19/658034719.db2.gz ROIKICLNZKHNTR-FDYHWXHSSA-N 2 1 265.357 -0.425 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000928658431 659060526 /nfs/dbraw/zinc/06/05/26/659060526.db2.gz RYCOJYHIUNTBEO-UHFFFAOYSA-N 2 1 279.384 -0.078 20 30 CBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931426956 659458450 /nfs/dbraw/zinc/45/84/50/659458450.db2.gz OQCKBVIJQGUHDH-NEPJUHHUSA-N 2 1 280.372 -0.118 20 30 CBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931426956 659458462 /nfs/dbraw/zinc/45/84/62/659458462.db2.gz OQCKBVIJQGUHDH-NEPJUHHUSA-N 2 1 280.372 -0.118 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931426956 659458484 /nfs/dbraw/zinc/45/84/84/659458484.db2.gz OQCKBVIJQGUHDH-NEPJUHHUSA-N 2 1 280.372 -0.118 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931426956 659458492 /nfs/dbraw/zinc/45/84/92/659458492.db2.gz OQCKBVIJQGUHDH-NEPJUHHUSA-N 2 1 280.372 -0.118 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000381341678 790518903 /nfs/dbraw/zinc/51/89/03/790518903.db2.gz CEUCYERQAFFNKZ-UHFFFAOYSA-N 2 1 287.429 -0.045 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000381341678 790518906 /nfs/dbraw/zinc/51/89/06/790518906.db2.gz CEUCYERQAFFNKZ-UHFFFAOYSA-N 2 1 287.429 -0.045 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001022220959 790997209 /nfs/dbraw/zinc/99/72/09/790997209.db2.gz UUZATYLMQIBYLS-MQYQWHSLSA-N 2 1 279.384 -0.298 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001022220959 790997216 /nfs/dbraw/zinc/99/72/16/790997216.db2.gz UUZATYLMQIBYLS-MQYQWHSLSA-N 2 1 279.384 -0.298 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022451919 791015047 /nfs/dbraw/zinc/01/50/47/791015047.db2.gz HJHKTZIGBQXSQX-NHGZVPIDSA-N 2 1 289.379 -0.280 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001022598026 791030291 /nfs/dbraw/zinc/03/02/91/791030291.db2.gz VBHMYDSVNJPPTK-MJBXVCDLSA-N 2 1 279.384 -0.034 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001022598026 791030302 /nfs/dbraw/zinc/03/03/02/791030302.db2.gz VBHMYDSVNJPPTK-MJBXVCDLSA-N 2 1 279.384 -0.034 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077024914 805674443 /nfs/dbraw/zinc/67/44/43/805674443.db2.gz XILWREYNRPZKES-AAVRWANBSA-N 2 1 279.384 -0.489 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077024914 805674449 /nfs/dbraw/zinc/67/44/49/805674449.db2.gz XILWREYNRPZKES-AAVRWANBSA-N 2 1 279.384 -0.489 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077024914 805674455 /nfs/dbraw/zinc/67/44/55/805674455.db2.gz XILWREYNRPZKES-AAVRWANBSA-N 2 1 279.384 -0.489 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077024914 805674460 /nfs/dbraw/zinc/67/44/60/805674460.db2.gz XILWREYNRPZKES-AAVRWANBSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675388 805768584 /nfs/dbraw/zinc/76/85/84/805768584.db2.gz LYLGSYPRSALFTN-BFHYXJOUSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675388 805768589 /nfs/dbraw/zinc/76/85/89/805768589.db2.gz LYLGSYPRSALFTN-BFHYXJOUSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675388 805768595 /nfs/dbraw/zinc/76/85/95/805768595.db2.gz LYLGSYPRSALFTN-BFHYXJOUSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778460 805784283 /nfs/dbraw/zinc/78/42/83/805784283.db2.gz KWWKDGHAXYVHLE-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779049 805785153 /nfs/dbraw/zinc/78/51/53/805785153.db2.gz FETKFEMLCLQSDD-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779049 805785158 /nfs/dbraw/zinc/78/51/58/805785158.db2.gz FETKFEMLCLQSDD-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182311 805852467 /nfs/dbraw/zinc/85/24/67/805852467.db2.gz OYSJMCBOXJEPES-CHWSQXEVSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182311 805852475 /nfs/dbraw/zinc/85/24/75/805852475.db2.gz OYSJMCBOXJEPES-CHWSQXEVSA-N 2 1 278.356 -0.071 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079525623 805923867 /nfs/dbraw/zinc/92/38/67/805923867.db2.gz ALAYYPZODJDEEF-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079525623 805923872 /nfs/dbraw/zinc/92/38/72/805923872.db2.gz ALAYYPZODJDEEF-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079525623 805923877 /nfs/dbraw/zinc/92/38/77/805923877.db2.gz ALAYYPZODJDEEF-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079525623 805923882 /nfs/dbraw/zinc/92/38/82/805923882.db2.gz ALAYYPZODJDEEF-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369957 806169909 /nfs/dbraw/zinc/16/99/09/806169909.db2.gz LPAWPDLPJWHBRT-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369957 806169913 /nfs/dbraw/zinc/16/99/13/806169913.db2.gz LPAWPDLPJWHBRT-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369957 806169915 /nfs/dbraw/zinc/16/99/15/806169915.db2.gz LPAWPDLPJWHBRT-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369957 806169918 /nfs/dbraw/zinc/16/99/18/806169918.db2.gz LPAWPDLPJWHBRT-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082935169 806198002 /nfs/dbraw/zinc/19/80/02/806198002.db2.gz NINVQXNGUPSGJY-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082935169 806198009 /nfs/dbraw/zinc/19/80/09/806198009.db2.gz NINVQXNGUPSGJY-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466313 806337491 /nfs/dbraw/zinc/33/74/91/806337491.db2.gz PBWAUEXHWHOQRV-KFWWJZLASA-N 2 1 291.395 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466313 806337497 /nfs/dbraw/zinc/33/74/97/806337497.db2.gz PBWAUEXHWHOQRV-KFWWJZLASA-N 2 1 291.395 -0.487 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957808 806471155 /nfs/dbraw/zinc/47/11/55/806471155.db2.gz OZKHDBQAGDUVRK-OLZOCXBDSA-N 2 1 279.384 -0.180 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026045278 798988351 /nfs/dbraw/zinc/98/83/51/798988351.db2.gz XSTOZCQVQVOQGZ-POQQGIQPSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026045278 798988353 /nfs/dbraw/zinc/98/83/53/798988353.db2.gz XSTOZCQVQVOQGZ-POQQGIQPSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026045278 798988360 /nfs/dbraw/zinc/98/83/60/798988360.db2.gz XSTOZCQVQVOQGZ-POQQGIQPSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027446879 799049285 /nfs/dbraw/zinc/04/92/85/799049285.db2.gz WCXNQVKYRLSKLW-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027446879 799049290 /nfs/dbraw/zinc/04/92/90/799049290.db2.gz WCXNQVKYRLSKLW-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCO)C1 ZINC001027446879 799049296 /nfs/dbraw/zinc/04/92/96/799049296.db2.gz WCXNQVKYRLSKLW-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCO)C1 ZINC001027446879 799049302 /nfs/dbraw/zinc/04/93/02/799049302.db2.gz WCXNQVKYRLSKLW-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031597150 799516975 /nfs/dbraw/zinc/51/69/75/799516975.db2.gz VHZLZNFBZMNPFK-CYBMUJFWSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031597150 799516979 /nfs/dbraw/zinc/51/69/79/799516979.db2.gz VHZLZNFBZMNPFK-CYBMUJFWSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688857 799534204 /nfs/dbraw/zinc/53/42/04/799534204.db2.gz MRHOECXDNNEISV-GJZGRUSLSA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031742364 799539506 /nfs/dbraw/zinc/53/95/06/799539506.db2.gz CDJYZTXGFXOFME-ZDUSSCGKSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031742364 799539507 /nfs/dbraw/zinc/53/95/07/799539507.db2.gz CDJYZTXGFXOFME-ZDUSSCGKSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCO)CC1 ZINC001039042330 801283231 /nfs/dbraw/zinc/28/32/31/801283231.db2.gz PYJIUDWICUUNOZ-CQSZACIVSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCO)CC1 ZINC001039042330 801283236 /nfs/dbraw/zinc/28/32/36/801283236.db2.gz PYJIUDWICUUNOZ-CQSZACIVSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](C)O)CC1 ZINC001039041887 801284282 /nfs/dbraw/zinc/28/42/82/801284282.db2.gz ILMBMFKRRLAETJ-HIFRSBDPSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCO)CC1 ZINC001039042329 801284291 /nfs/dbraw/zinc/28/42/91/801284291.db2.gz PYJIUDWICUUNOZ-AWEZNQCLSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCO)CC1 ZINC001039042329 801284296 /nfs/dbraw/zinc/28/42/96/801284296.db2.gz PYJIUDWICUUNOZ-AWEZNQCLSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545644 801897351 /nfs/dbraw/zinc/89/73/51/801897351.db2.gz UGPVCWMDFJVTAK-STQMWFEESA-N 2 1 276.340 -0.521 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598222 801909304 /nfs/dbraw/zinc/90/93/04/801909304.db2.gz AEVDLTHFIRDTHC-KBPBESRZSA-N 2 1 291.395 -0.391 20 30 CBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598727 801909536 /nfs/dbraw/zinc/90/95/36/801909536.db2.gz TWEHEXVCZFDDEC-KBPBESRZSA-N 2 1 291.395 -0.391 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598727 801909538 /nfs/dbraw/zinc/90/95/38/801909538.db2.gz TWEHEXVCZFDDEC-KBPBESRZSA-N 2 1 291.395 -0.391 20 30 CBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047629073 801913538 /nfs/dbraw/zinc/91/35/38/801913538.db2.gz RRVFCJIQQDZWIF-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047629073 801913544 /nfs/dbraw/zinc/91/35/44/801913544.db2.gz RRVFCJIQQDZWIF-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047629073 801913550 /nfs/dbraw/zinc/91/35/50/801913550.db2.gz RRVFCJIQQDZWIF-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047629073 801913554 /nfs/dbraw/zinc/91/35/54/801913554.db2.gz RRVFCJIQQDZWIF-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001124033850 813393522 /nfs/dbraw/zinc/39/35/22/813393522.db2.gz WVGJAAOCPHUTGM-ZFWWWQNUSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001124033849 813394497 /nfs/dbraw/zinc/39/44/97/813394497.db2.gz WVGJAAOCPHUTGM-UKRRQHHQSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148577836 814951175 /nfs/dbraw/zinc/95/11/75/814951175.db2.gz GGOFIZHGNVYHOI-CYBMUJFWSA-N 2 1 296.415 -0.438 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148655839 814956157 /nfs/dbraw/zinc/95/61/57/814956157.db2.gz SRFZSJIDPUDPBY-GFCCVEGCSA-N 2 1 284.404 -0.275 20 30 CBEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001321680543 803800472 /nfs/dbraw/zinc/80/04/72/803800472.db2.gz HESRLSXTVKSSHP-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001321750188 803809412 /nfs/dbraw/zinc/80/94/12/803809412.db2.gz LHWHBRIBOLZXQP-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001321750188 803809420 /nfs/dbraw/zinc/80/94/20/803809420.db2.gz LHWHBRIBOLZXQP-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP COCC#CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001323349542 804014174 /nfs/dbraw/zinc/01/41/74/804014174.db2.gz AGKSBXANBOMFAQ-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001325154786 804249257 /nfs/dbraw/zinc/24/92/57/804249257.db2.gz WFLLSEWIIFEHLP-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001325154786 804249262 /nfs/dbraw/zinc/24/92/62/804249262.db2.gz WFLLSEWIIFEHLP-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001325154786 804249271 /nfs/dbraw/zinc/24/92/71/804249271.db2.gz WFLLSEWIIFEHLP-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CCN1CCC[C@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001325865081 804326752 /nfs/dbraw/zinc/32/67/52/804326752.db2.gz LDCHKWYUZPDAQX-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001325865081 804326761 /nfs/dbraw/zinc/32/67/61/804326761.db2.gz LDCHKWYUZPDAQX-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001325865081 804326771 /nfs/dbraw/zinc/32/67/71/804326771.db2.gz LDCHKWYUZPDAQX-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001325865081 804326794 /nfs/dbraw/zinc/32/67/94/804326794.db2.gz LDCHKWYUZPDAQX-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072927 815056108 /nfs/dbraw/zinc/05/61/08/815056108.db2.gz AODNMPXJRFELOV-NEPJUHHUSA-N 2 1 282.388 -0.665 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066151 815056442 /nfs/dbraw/zinc/05/64/42/815056442.db2.gz RBHHBUFFQUOUDH-GFCCVEGCSA-N 2 1 255.362 -0.154 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072928 815057718 /nfs/dbraw/zinc/05/77/18/815057718.db2.gz AODNMPXJRFELOV-NWDGAFQWSA-N 2 1 282.388 -0.665 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850506 805340844 /nfs/dbraw/zinc/34/08/44/805340844.db2.gz ZWZWHMWZEHHHFB-ZIAGYGMSSA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850506 805340850 /nfs/dbraw/zinc/34/08/50/805340850.db2.gz ZWZWHMWZEHHHFB-ZIAGYGMSSA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850506 805340857 /nfs/dbraw/zinc/34/08/57/805340857.db2.gz ZWZWHMWZEHHHFB-ZIAGYGMSSA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850506 805340862 /nfs/dbraw/zinc/34/08/62/805340862.db2.gz ZWZWHMWZEHHHFB-ZIAGYGMSSA-N 2 1 291.395 -0.127 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151739358 815089127 /nfs/dbraw/zinc/08/91/27/815089127.db2.gz LFTYIGXFSACEDD-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151739358 815089134 /nfs/dbraw/zinc/08/91/34/815089134.db2.gz LFTYIGXFSACEDD-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152620926 815132278 /nfs/dbraw/zinc/13/22/78/815132278.db2.gz QHBJECPMZNHDGX-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152620926 815132283 /nfs/dbraw/zinc/13/22/83/815132283.db2.gz QHBJECPMZNHDGX-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152620926 815132286 /nfs/dbraw/zinc/13/22/86/815132286.db2.gz QHBJECPMZNHDGX-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152620926 815132289 /nfs/dbraw/zinc/13/22/89/815132289.db2.gz QHBJECPMZNHDGX-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155822365 815315501 /nfs/dbraw/zinc/31/55/01/815315501.db2.gz OTJXYYCAQQLGEO-CHWSQXEVSA-N 2 1 296.415 -0.133 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125230 815338393 /nfs/dbraw/zinc/33/83/93/815338393.db2.gz LQBNQIJINGPOOQ-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125230 815338399 /nfs/dbraw/zinc/33/83/99/815338399.db2.gz LQBNQIJINGPOOQ-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091959 810241699 /nfs/dbraw/zinc/24/16/99/810241699.db2.gz UJKAAGQGXCXHER-XGUBFFRZSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086371718 810265232 /nfs/dbraw/zinc/26/52/32/810265232.db2.gz UJKAAGQGXCXHER-ZQDZILKHSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086371716 810266054 /nfs/dbraw/zinc/26/60/54/810266054.db2.gz UJKAAGQGXCXHER-KBUPBQIOSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001086390141 810266788 /nfs/dbraw/zinc/26/67/88/810266788.db2.gz DEZKUNIMGMWUHD-TUVASFSCSA-N 2 1 293.411 -0.051 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001086390141 810266793 /nfs/dbraw/zinc/26/67/93/810266793.db2.gz DEZKUNIMGMWUHD-TUVASFSCSA-N 2 1 293.411 -0.051 20 30 CBEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664351 810281371 /nfs/dbraw/zinc/28/13/71/810281371.db2.gz KBNDXGQFYGUPDE-BFHYXJOUSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664351 810281376 /nfs/dbraw/zinc/28/13/76/810281376.db2.gz KBNDXGQFYGUPDE-BFHYXJOUSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090544541 810520824 /nfs/dbraw/zinc/52/08/24/810520824.db2.gz WABIFIIPGDZPFP-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731897 810560678 /nfs/dbraw/zinc/56/06/78/810560678.db2.gz XURIINSQQXRONV-QWHCGFSZSA-N 2 1 277.368 -0.733 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731897 810560688 /nfs/dbraw/zinc/56/06/88/810560688.db2.gz XURIINSQQXRONV-QWHCGFSZSA-N 2 1 277.368 -0.733 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808891 810568823 /nfs/dbraw/zinc/56/88/23/810568823.db2.gz PONXLTAKELXVPW-ZIAGYGMSSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808891 810568827 /nfs/dbraw/zinc/56/88/27/810568827.db2.gz PONXLTAKELXVPW-ZIAGYGMSSA-N 2 1 290.367 -0.234 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090813797 810569431 /nfs/dbraw/zinc/56/94/31/810569431.db2.gz WFFFGIXLMKLOTI-OLZOCXBDSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090813797 810569441 /nfs/dbraw/zinc/56/94/41/810569441.db2.gz WFFFGIXLMKLOTI-OLZOCXBDSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090813796 810570698 /nfs/dbraw/zinc/57/06/98/810570698.db2.gz WFFFGIXLMKLOTI-CHWSQXEVSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090813796 810570707 /nfs/dbraw/zinc/57/07/07/810570707.db2.gz WFFFGIXLMKLOTI-CHWSQXEVSA-N 2 1 278.356 -0.071 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC)C[C@@H]2O)CC1 ZINC001090832023 810572116 /nfs/dbraw/zinc/57/21/16/810572116.db2.gz XVFVFVKOFQXKJO-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001096912033 810788421 /nfs/dbraw/zinc/78/84/21/810788421.db2.gz VUPKFWIQDLTOAK-MQYQWHSLSA-N 2 1 277.368 -0.328 20 30 CBEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001096912033 810788427 /nfs/dbraw/zinc/78/84/27/810788427.db2.gz VUPKFWIQDLTOAK-MQYQWHSLSA-N 2 1 277.368 -0.328 20 30 CBEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001096912034 810788737 /nfs/dbraw/zinc/78/87/37/810788737.db2.gz VUPKFWIQDLTOAK-YIYPIFLZSA-N 2 1 277.368 -0.328 20 30 CBEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001096912034 810788744 /nfs/dbraw/zinc/78/87/44/810788744.db2.gz VUPKFWIQDLTOAK-YIYPIFLZSA-N 2 1 277.368 -0.328 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099898858 810962046 /nfs/dbraw/zinc/96/20/46/810962046.db2.gz IYCYPZJUSVQSKO-OLZOCXBDSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099898858 810962050 /nfs/dbraw/zinc/96/20/50/810962050.db2.gz IYCYPZJUSVQSKO-OLZOCXBDSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898858 810962057 /nfs/dbraw/zinc/96/20/57/810962057.db2.gz IYCYPZJUSVQSKO-OLZOCXBDSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898858 810962062 /nfs/dbraw/zinc/96/20/62/810962062.db2.gz IYCYPZJUSVQSKO-OLZOCXBDSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971714 810979504 /nfs/dbraw/zinc/97/95/04/810979504.db2.gz LMBWDAWVSOOTNO-STQMWFEESA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971714 810979508 /nfs/dbraw/zinc/97/95/08/810979508.db2.gz LMBWDAWVSOOTNO-STQMWFEESA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985917 810983207 /nfs/dbraw/zinc/98/32/07/810983207.db2.gz GYHFPFBZPUSCQY-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987243 810985949 /nfs/dbraw/zinc/98/59/49/810985949.db2.gz WULYARUPHUABHG-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100049117 811003497 /nfs/dbraw/zinc/00/34/97/811003497.db2.gz XNXADYGZHANUQC-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100049117 811003499 /nfs/dbraw/zinc/00/34/99/811003499.db2.gz XNXADYGZHANUQC-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074837 811015766 /nfs/dbraw/zinc/01/57/66/811015766.db2.gz UDLHEPBYGHALSH-QWHCGFSZSA-N 2 1 285.388 -0.698 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100081464 811017352 /nfs/dbraw/zinc/01/73/52/811017352.db2.gz SUBRYPNSSCWDEL-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100081464 811017359 /nfs/dbraw/zinc/01/73/59/811017359.db2.gz SUBRYPNSSCWDEL-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100081464 811017366 /nfs/dbraw/zinc/01/73/66/811017366.db2.gz SUBRYPNSSCWDEL-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100081463 811018589 /nfs/dbraw/zinc/01/85/89/811018589.db2.gz SUBRYPNSSCWDEL-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100081463 811018593 /nfs/dbraw/zinc/01/85/93/811018593.db2.gz SUBRYPNSSCWDEL-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100081463 811018598 /nfs/dbraw/zinc/01/85/98/811018598.db2.gz SUBRYPNSSCWDEL-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431682 811103341 /nfs/dbraw/zinc/10/33/41/811103341.db2.gz ZTBJTCGMSBHSPU-ZBFHGGJFSA-N 2 1 293.411 -0.022 20 30 CBEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277113 811544377 /nfs/dbraw/zinc/54/43/77/811544377.db2.gz BCCHFZIHRIZAIZ-MCIONIFRSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277113 811544386 /nfs/dbraw/zinc/54/43/86/811544386.db2.gz BCCHFZIHRIZAIZ-MCIONIFRSA-N 2 1 279.384 -0.081 20 30 CBEDMP N#CCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001157730565 815458206 /nfs/dbraw/zinc/45/82/06/815458206.db2.gz LVDGATQMYSEAFV-LBPRGKRZSA-N 2 1 261.329 0.000 20 30 CBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778301 812160015 /nfs/dbraw/zinc/16/00/15/812160015.db2.gz IIVJUSVMMWJGBV-NHAGDIPZSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126198 812180864 /nfs/dbraw/zinc/18/08/64/812180864.db2.gz KBPUTHZPVXKZPS-NHAGDIPZSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245346 812186874 /nfs/dbraw/zinc/18/68/74/812186874.db2.gz PNXUFUGHCZQTPF-KBXIAJHMSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCOCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001116930563 812340721 /nfs/dbraw/zinc/34/07/21/812340721.db2.gz ZZJNPROGSLBAQH-UHFFFAOYSA-N 2 1 267.373 -0.268 20 30 CBEDMP C#CCOCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001116930563 812340731 /nfs/dbraw/zinc/34/07/31/812340731.db2.gz ZZJNPROGSLBAQH-UHFFFAOYSA-N 2 1 267.373 -0.268 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124866335 813489059 /nfs/dbraw/zinc/48/90/59/813489059.db2.gz AFXQLGLKCXUEOM-RYUDHWBXSA-N 2 1 282.388 -0.523 20 30 CBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124877600 813493339 /nfs/dbraw/zinc/49/33/39/813493339.db2.gz HCDNBGPLXXXLQL-QWHCGFSZSA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124877603 813494574 /nfs/dbraw/zinc/49/45/74/813494574.db2.gz HCDNBGPLXXXLQL-STQMWFEESA-N 2 1 294.399 -0.427 20 30 CBEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125219782 813532174 /nfs/dbraw/zinc/53/21/74/813532174.db2.gz BNBJJBGCESZNMP-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125219782 813532177 /nfs/dbraw/zinc/53/21/77/813532177.db2.gz BNBJJBGCESZNMP-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387615 813838552 /nfs/dbraw/zinc/83/85/52/813838552.db2.gz XJVKSFUMBVJUNO-CYBMUJFWSA-N 2 1 277.372 -0.458 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535187 813849657 /nfs/dbraw/zinc/84/96/57/813849657.db2.gz KVTZXNJNYLQYJO-LBPRGKRZSA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001129771096 813863756 /nfs/dbraw/zinc/86/37/56/813863756.db2.gz QRNKEJINVSBGDY-LBPRGKRZSA-N 2 1 253.346 -0.828 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001129771096 813863767 /nfs/dbraw/zinc/86/37/67/813863767.db2.gz QRNKEJINVSBGDY-LBPRGKRZSA-N 2 1 253.346 -0.828 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)COC ZINC001129791178 813865360 /nfs/dbraw/zinc/86/53/60/813865360.db2.gz WRWDCOKLNDZMGL-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)COC ZINC001129791178 813865366 /nfs/dbraw/zinc/86/53/66/813865366.db2.gz WRWDCOKLNDZMGL-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849775 813869632 /nfs/dbraw/zinc/86/96/32/813869632.db2.gz UOJJENNMKMEINF-CYBMUJFWSA-N 2 1 296.415 -0.131 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849776 813872281 /nfs/dbraw/zinc/87/22/81/813872281.db2.gz UOJJENNMKMEINF-ZDUSSCGKSA-N 2 1 296.415 -0.131 20 30 CBEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180702 813914962 /nfs/dbraw/zinc/91/49/62/813914962.db2.gz VAEKVMCZCMHPGI-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180702 813914966 /nfs/dbraw/zinc/91/49/66/813914966.db2.gz VAEKVMCZCMHPGI-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130296966 813922039 /nfs/dbraw/zinc/92/20/39/813922039.db2.gz GCBBQCTYWDLHKM-LBPRGKRZSA-N 2 1 282.388 -0.521 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419255 813938428 /nfs/dbraw/zinc/93/84/28/813938428.db2.gz RKUWACOOKHARML-UHFFFAOYSA-N 2 1 284.404 -0.275 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849628 814306777 /nfs/dbraw/zinc/30/67/77/814306777.db2.gz AYVHZEMGEYJXRX-OLZOCXBDSA-N 2 1 294.399 -0.828 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849618 814308387 /nfs/dbraw/zinc/30/83/87/814308387.db2.gz AQCSTRJQVWHVEF-OLZOCXBDSA-N 2 1 296.415 -0.275 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869124 814314292 /nfs/dbraw/zinc/31/42/92/814314292.db2.gz BIDGCDRCJRMJEJ-STQMWFEESA-N 2 1 267.373 -0.460 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899662 814320892 /nfs/dbraw/zinc/32/08/92/814320892.db2.gz QYKIVCJHOUBYQF-UHFFFAOYSA-N 2 1 296.415 -0.581 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352805 814469205 /nfs/dbraw/zinc/46/92/05/814469205.db2.gz SVSUWDKFSUYOLL-UHFFFAOYSA-N 2 1 283.372 -0.936 20 30 CBEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC#CCOC ZINC001146719673 814844897 /nfs/dbraw/zinc/84/48/97/814844897.db2.gz TVIFENSFNHDDNP-UHFFFAOYSA-N 2 1 255.362 -0.316 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606377 815836697 /nfs/dbraw/zinc/83/66/97/815836697.db2.gz QWUIVHWJCSUJJW-UHFFFAOYSA-N 2 1 278.356 -0.063 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872666 815846673 /nfs/dbraw/zinc/84/66/73/815846673.db2.gz ZVCSACAHCFKSAO-JVWICGRDSA-N 2 1 277.368 -0.421 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC001293590687 816521892 /nfs/dbraw/zinc/52/18/92/816521892.db2.gz WGSNTNBNGXUWJS-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316990363 816916614 /nfs/dbraw/zinc/91/66/14/816916614.db2.gz MSEPMSMLTDESLB-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316990363 816916616 /nfs/dbraw/zinc/91/66/16/816916616.db2.gz MSEPMSMLTDESLB-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317074080 816927924 /nfs/dbraw/zinc/92/79/24/816927924.db2.gz XWFRAABMEZAUGF-MGPQQGTHSA-N 2 1 297.399 -0.244 20 30 CBEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317074080 816927930 /nfs/dbraw/zinc/92/79/30/816927930.db2.gz XWFRAABMEZAUGF-MGPQQGTHSA-N 2 1 297.399 -0.244 20 30 CBEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317317466 816964220 /nfs/dbraw/zinc/96/42/20/816964220.db2.gz MNJRWOYPUHEAKR-CHWSQXEVSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317317466 816964222 /nfs/dbraw/zinc/96/42/22/816964222.db2.gz MNJRWOYPUHEAKR-CHWSQXEVSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317483390 816994229 /nfs/dbraw/zinc/99/42/29/816994229.db2.gz DZWYJDUUDZQXRY-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317483390 816994232 /nfs/dbraw/zinc/99/42/32/816994232.db2.gz DZWYJDUUDZQXRY-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317483390 816994236 /nfs/dbraw/zinc/99/42/36/816994236.db2.gz DZWYJDUUDZQXRY-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317483390 816994238 /nfs/dbraw/zinc/99/42/38/816994238.db2.gz DZWYJDUUDZQXRY-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001320235980 817301474 /nfs/dbraw/zinc/30/14/74/817301474.db2.gz TZCBRERBQUTGMV-ZDUSSCGKSA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001320264052 817308995 /nfs/dbraw/zinc/30/89/95/817308995.db2.gz QCUGCOLNDRWGDC-ZIAGYGMSSA-N 2 1 281.400 -0.192 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)CCCn1cc[nH+]c1C ZINC001320286804 817314427 /nfs/dbraw/zinc/31/44/27/817314427.db2.gz PTVQYDLWSWRBHP-CYBMUJFWSA-N 2 1 278.356 -0.328 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320315554 817321373 /nfs/dbraw/zinc/32/13/73/817321373.db2.gz JAEGIKNUOAFVIA-UONOGXRCSA-N 2 1 281.400 -0.049 20 30 CBEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001320372901 817328634 /nfs/dbraw/zinc/32/86/34/817328634.db2.gz RSPOOXCRSIGFDT-STQMWFEESA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001320573096 817356827 /nfs/dbraw/zinc/35/68/27/817356827.db2.gz AGMKDZUAAIVEHR-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C[C@H]1CN(O)C(=O)[C@H]1Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001171363174 820359228 /nfs/dbraw/zinc/35/92/28/820359228.db2.gz BTWFPUDBGXWTMT-ONGXEEELSA-N 2 1 292.343 -0.466 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171769625 820370679 /nfs/dbraw/zinc/37/06/79/820370679.db2.gz AWQPRNJSEJCUHG-CYBMUJFWSA-N 2 1 296.415 -0.438 20 30 CBEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822248 820832824 /nfs/dbraw/zinc/83/28/24/820832824.db2.gz QCSVSJLIGHXSMT-ZIAGYGMSSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822248 820832831 /nfs/dbraw/zinc/83/28/31/820832831.db2.gz QCSVSJLIGHXSMT-ZIAGYGMSSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186809194 821199183 /nfs/dbraw/zinc/19/91/83/821199183.db2.gz XSVJAHONDGZPLA-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001279999623 828342333 /nfs/dbraw/zinc/34/23/33/828342333.db2.gz OEBSPRBMQKFQCO-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001279999623 828342339 /nfs/dbraw/zinc/34/23/39/828342339.db2.gz OEBSPRBMQKFQCO-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001280567260 828361544 /nfs/dbraw/zinc/36/15/44/828361544.db2.gz QVZFXDQNTKGMCE-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001280567258 828362110 /nfs/dbraw/zinc/36/21/10/828362110.db2.gz QVZFXDQNTKGMCE-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825331 822298788 /nfs/dbraw/zinc/29/87/88/822298788.db2.gz KRZSEDJUCDPLFM-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283421224 828518666 /nfs/dbraw/zinc/51/86/66/828518666.db2.gz HVQMGUDITXUBRV-CYBMUJFWSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283421224 828518668 /nfs/dbraw/zinc/51/86/68/828518668.db2.gz HVQMGUDITXUBRV-CYBMUJFWSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001283715283 828535611 /nfs/dbraw/zinc/53/56/11/828535611.db2.gz TWXHTYHQKIDJAF-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001283715283 828535615 /nfs/dbraw/zinc/53/56/15/828535615.db2.gz TWXHTYHQKIDJAF-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001283798007 828549570 /nfs/dbraw/zinc/54/95/70/828549570.db2.gz UEWKKRHHMZBBQA-IHRRRGAJSA-N 2 1 281.400 -0.193 20 30 CBEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283827749 828554766 /nfs/dbraw/zinc/55/47/66/828554766.db2.gz REJMHFAWQIYMMI-STQMWFEESA-N 2 1 269.389 -0.029 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001190722692 823842312 /nfs/dbraw/zinc/84/23/12/823842312.db2.gz GHZPVKBFTHWBPF-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001190722692 823842315 /nfs/dbraw/zinc/84/23/15/823842315.db2.gz GHZPVKBFTHWBPF-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCO)C1 ZINC001190722692 823842324 /nfs/dbraw/zinc/84/23/24/823842324.db2.gz GHZPVKBFTHWBPF-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCO)C1 ZINC001190722692 823842329 /nfs/dbraw/zinc/84/23/29/823842329.db2.gz GHZPVKBFTHWBPF-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001284456126 828598787 /nfs/dbraw/zinc/59/87/87/828598787.db2.gz IXQSCEZIPVBHPT-STQMWFEESA-N 2 1 269.389 -0.077 20 30 CBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001284509701 828606565 /nfs/dbraw/zinc/60/65/65/828606565.db2.gz OWZXKQDTOVYYHF-ZDUSSCGKSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195690666 824127664 /nfs/dbraw/zinc/12/76/64/824127664.db2.gz AQHCUWMANAXDTF-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195690666 824127669 /nfs/dbraw/zinc/12/76/69/824127669.db2.gz AQHCUWMANAXDTF-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859152 824134512 /nfs/dbraw/zinc/13/45/12/824134512.db2.gz FULBRZCJSXMCGE-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195972715 824140576 /nfs/dbraw/zinc/14/05/76/824140576.db2.gz JWYFQMFFABQJBZ-JHJVBQTASA-N 2 1 269.389 -0.080 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195972715 824140577 /nfs/dbraw/zinc/14/05/77/824140577.db2.gz JWYFQMFFABQJBZ-JHJVBQTASA-N 2 1 269.389 -0.080 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196940979 824173951 /nfs/dbraw/zinc/17/39/51/824173951.db2.gz YRKQJFYWXHRSCI-CHWSQXEVSA-N 2 1 283.372 -0.944 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197784456 824201424 /nfs/dbraw/zinc/20/14/24/824201424.db2.gz XFBATOJOBCYZHG-CHWSQXEVSA-N 2 1 285.388 -0.698 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200114346 824306618 /nfs/dbraw/zinc/30/66/18/824306618.db2.gz CPTIOULLDQLWKJ-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182307 824311626 /nfs/dbraw/zinc/31/16/26/824311626.db2.gz PLLQCWGDYZCBMP-KGLIPLIRSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182307 824311630 /nfs/dbraw/zinc/31/16/30/824311630.db2.gz PLLQCWGDYZCBMP-KGLIPLIRSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730407 824515218 /nfs/dbraw/zinc/51/52/18/824515218.db2.gz OHCOKCSKSYDSCI-ZIAGYGMSSA-N 2 1 297.399 -0.597 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001214880747 824536479 /nfs/dbraw/zinc/53/64/79/824536479.db2.gz SBAFHXBXFKHMBP-KFWWJZLASA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001214880747 824536482 /nfs/dbraw/zinc/53/64/82/824536482.db2.gz SBAFHXBXFKHMBP-KFWWJZLASA-N 2 1 293.411 -0.097 20 30 CBEDMP N#CN=C(NC(=O)C[NH2+]C1CC[NH2+]CC1)c1ccncc1 ZINC001219972713 824925862 /nfs/dbraw/zinc/92/58/62/824925862.db2.gz UREAMRVCCQPLSO-UHFFFAOYSA-N 2 1 286.339 -0.233 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220576759 825069881 /nfs/dbraw/zinc/06/98/81/825069881.db2.gz OXEUSAXFGUKCKL-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220576759 825069891 /nfs/dbraw/zinc/06/98/91/825069891.db2.gz OXEUSAXFGUKCKL-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220868145 825114690 /nfs/dbraw/zinc/11/46/90/825114690.db2.gz CJKUCYCWPVGQQS-WOPDTQHZSA-N 2 1 252.362 -0.558 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220868146 825114704 /nfs/dbraw/zinc/11/47/04/825114704.db2.gz CKDKKGBKXGJPFD-IJEWVQPXSA-N 3 1 292.427 -0.048 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC001220868368 825114791 /nfs/dbraw/zinc/11/47/91/825114791.db2.gz HFWFOEQARXGWFD-ZDUSSCGKSA-N 2 1 266.389 -0.342 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220868057 825115822 /nfs/dbraw/zinc/11/58/22/825115822.db2.gz AGFSFLBIOLLASE-NWDGAFQWSA-N 3 1 254.378 -0.181 20 30 CBEDMP C=CCN1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220868057 825115828 /nfs/dbraw/zinc/11/58/28/825115828.db2.gz AGFSFLBIOLLASE-NWDGAFQWSA-N 2 1 254.378 -0.181 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220868870 825116525 /nfs/dbraw/zinc/11/65/25/825116525.db2.gz XUCWIXDTPSRSCE-WCQYABFASA-N 2 1 252.362 -0.556 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220868869 825117072 /nfs/dbraw/zinc/11/70/72/825117072.db2.gz XUCWIXDTPSRSCE-AAEUAGOBSA-N 2 1 252.362 -0.556 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNC(=S)NCC[NH3+] ZINC001239379574 825601856 /nfs/dbraw/zinc/60/18/56/825601856.db2.gz YQQSVSGPYBDKOT-JTQLQIEISA-N 2 1 288.417 -0.364 20 30 CBEDMP C#CCOC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(=O)OCC=C ZINC001245990730 825618082 /nfs/dbraw/zinc/61/80/82/825618082.db2.gz AOGNIHHQWAQTQW-KGLIPLIRSA-N 2 1 298.383 -0.187 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246025488 825625562 /nfs/dbraw/zinc/62/55/62/825625562.db2.gz YNYGFVFYEXHNIL-OLZOCXBDSA-N 2 1 258.362 -0.274 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001246000122 825619385 /nfs/dbraw/zinc/61/93/85/825619385.db2.gz KQVYMTOBVQYTRW-ZFWWWQNUSA-N 3 1 299.415 -0.083 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019897 825622110 /nfs/dbraw/zinc/62/21/10/825622110.db2.gz AZRCGDHRNKRLQW-RDBSUJKOSA-N 2 1 267.373 -0.977 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019897 825622113 /nfs/dbraw/zinc/62/21/13/825622113.db2.gz AZRCGDHRNKRLQW-RDBSUJKOSA-N 2 1 267.373 -0.977 20 30 CBEDMP C#CCOC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019897 825622118 /nfs/dbraw/zinc/62/21/18/825622118.db2.gz AZRCGDHRNKRLQW-RDBSUJKOSA-N 2 1 267.373 -0.977 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246019781 825622443 /nfs/dbraw/zinc/62/24/43/825622443.db2.gz HUXFUCHHYMHMEX-WDEREUQCSA-N 2 1 262.300 -0.087 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246019781 825622447 /nfs/dbraw/zinc/62/24/47/825622447.db2.gz HUXFUCHHYMHMEX-WDEREUQCSA-N 2 1 262.300 -0.087 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019875 825623291 /nfs/dbraw/zinc/62/32/91/825623291.db2.gz AUYZLJFOLJXEFR-RDBSUJKOSA-N 2 1 269.389 -0.424 20 30 CBEDMP C=CCOC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019875 825623294 /nfs/dbraw/zinc/62/32/94/825623294.db2.gz AUYZLJFOLJXEFR-RDBSUJKOSA-N 2 1 269.389 -0.424 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246024663 825624775 /nfs/dbraw/zinc/62/47/75/825624775.db2.gz INQXDWNHNSGVMM-CHWSQXEVSA-N 2 1 255.362 -0.813 20 30 CBEDMP C=CCOC[C@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246024663 825624778 /nfs/dbraw/zinc/62/47/78/825624778.db2.gz INQXDWNHNSGVMM-CHWSQXEVSA-N 2 1 255.362 -0.813 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246028603 825627706 /nfs/dbraw/zinc/62/77/06/825627706.db2.gz KBIYKSLPGARXEZ-ZDUSSCGKSA-N 2 1 267.373 -0.976 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052806 825630818 /nfs/dbraw/zinc/63/08/18/825630818.db2.gz ORRCGBOPBATEHD-MJBXVCDLSA-N 2 1 252.358 -0.072 20 30 CBEDMP C=C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001253587264 825918238 /nfs/dbraw/zinc/91/82/38/825918238.db2.gz KCPASGZVUXKCGF-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001253587264 825918254 /nfs/dbraw/zinc/91/82/54/825918254.db2.gz KCPASGZVUXKCGF-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CCNC(=O)CC[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC001262564052 826710040 /nfs/dbraw/zinc/71/00/40/826710040.db2.gz XFOMOQVQYJKUHT-UHFFFAOYSA-N 2 1 294.443 -0.011 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001264416927 826809355 /nfs/dbraw/zinc/80/93/55/826809355.db2.gz JJHXGMZHVQVKQO-IHRRRGAJSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001264416927 826809368 /nfs/dbraw/zinc/80/93/68/826809368.db2.gz JJHXGMZHVQVKQO-IHRRRGAJSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001265266489 826863996 /nfs/dbraw/zinc/86/39/96/826863996.db2.gz OVVFAVBTQCILLH-HNNXBMFYSA-N 2 1 292.427 -0.305 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266359434 826988091 /nfs/dbraw/zinc/98/80/91/826988091.db2.gz VIIGIDBZFXONJW-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266359434 826988094 /nfs/dbraw/zinc/98/80/94/826988094.db2.gz VIIGIDBZFXONJW-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266359434 826988098 /nfs/dbraw/zinc/98/80/98/826988098.db2.gz VIIGIDBZFXONJW-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266359434 826988101 /nfs/dbraw/zinc/98/81/01/826988101.db2.gz VIIGIDBZFXONJW-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266515365 827016038 /nfs/dbraw/zinc/01/60/38/827016038.db2.gz WOMKPGYNNJTFBC-QWHCGFSZSA-N 2 1 292.383 -0.980 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001266744000 827059986 /nfs/dbraw/zinc/05/99/86/827059986.db2.gz NDLKEZVTPJVAAN-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267127789 827116029 /nfs/dbraw/zinc/11/60/29/827116029.db2.gz MWPABCFOUFNZHJ-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267127789 827116031 /nfs/dbraw/zinc/11/60/31/827116031.db2.gz MWPABCFOUFNZHJ-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001267189552 827124219 /nfs/dbraw/zinc/12/42/19/827124219.db2.gz XBSDJLYAZIRBSE-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001267189552 827124224 /nfs/dbraw/zinc/12/42/24/827124224.db2.gz XBSDJLYAZIRBSE-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267189552 827124231 /nfs/dbraw/zinc/12/42/31/827124231.db2.gz XBSDJLYAZIRBSE-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267189552 827124238 /nfs/dbraw/zinc/12/42/38/827124238.db2.gz XBSDJLYAZIRBSE-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001267800061 827223283 /nfs/dbraw/zinc/22/32/83/827223283.db2.gz MLDLYFTZZAGCPH-NEPJUHHUSA-N 2 1 295.387 -0.795 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268014865 827242218 /nfs/dbraw/zinc/24/22/18/827242218.db2.gz YTVFFEICKOGMNR-ZIAGYGMSSA-N 2 1 281.400 -0.070 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268329424 827304574 /nfs/dbraw/zinc/30/45/74/827304574.db2.gz UEESXSZKAYLPGM-NWDGAFQWSA-N 2 1 255.362 -0.419 20 30 CBEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268785967 827422898 /nfs/dbraw/zinc/42/28/98/827422898.db2.gz JQIKYNOTEBACJX-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268785967 827422902 /nfs/dbraw/zinc/42/29/02/827422902.db2.gz JQIKYNOTEBACJX-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001269384916 827502329 /nfs/dbraw/zinc/50/23/29/827502329.db2.gz XSPMPMMDSHFHEH-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001269384916 827502332 /nfs/dbraw/zinc/50/23/32/827502332.db2.gz XSPMPMMDSHFHEH-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271192555 827675868 /nfs/dbraw/zinc/67/58/68/827675868.db2.gz NATWDMCIOWBAOP-GXTWGEPZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271218883 827677232 /nfs/dbraw/zinc/67/72/32/827677232.db2.gz DNXHCDWWVBVTEM-TZMCWYRMSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271218883 827677239 /nfs/dbraw/zinc/67/72/39/827677239.db2.gz DNXHCDWWVBVTEM-TZMCWYRMSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271218883 827677245 /nfs/dbraw/zinc/67/72/45/827677245.db2.gz DNXHCDWWVBVTEM-TZMCWYRMSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CCCN1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271387842 827698103 /nfs/dbraw/zinc/69/81/03/827698103.db2.gz GRNWODNKHZDZAC-GFCCVEGCSA-N 2 1 265.357 -0.876 20 30 CBEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272307126 827778940 /nfs/dbraw/zinc/77/89/40/827778940.db2.gz LMSPDJWQWIIUOR-CYBMUJFWSA-N 2 1 269.389 -0.075 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001272443921 827798328 /nfs/dbraw/zinc/79/83/28/827798328.db2.gz QSXHZLTUFKVSME-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273028920 827856266 /nfs/dbraw/zinc/85/62/66/827856266.db2.gz ASYXUGAWRARVPK-UHFFFAOYSA-N 2 1 277.368 -0.468 20 30 CBEDMP C#CCN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030888 827857764 /nfs/dbraw/zinc/85/77/64/827857764.db2.gz QPKXYMJFIUFEKM-MRXNPFEDSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NC ZINC001273428009 827900249 /nfs/dbraw/zinc/90/02/49/827900249.db2.gz OZOGVXYDYYBMSH-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NC ZINC001273428009 827900254 /nfs/dbraw/zinc/90/02/54/827900254.db2.gz OZOGVXYDYYBMSH-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273928405 827943072 /nfs/dbraw/zinc/94/30/72/827943072.db2.gz NFPSHTDARXCCPW-CFHLNLSMSA-N 2 1 265.357 -0.398 20 30 CBEDMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273928405 827943075 /nfs/dbraw/zinc/94/30/75/827943075.db2.gz NFPSHTDARXCCPW-CFHLNLSMSA-N 2 1 265.357 -0.398 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCOC ZINC001274096483 827968331 /nfs/dbraw/zinc/96/83/31/827968331.db2.gz FMNMNFGWXNKKLT-NNTXTVRGSA-N 2 1 279.384 -0.008 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCOC ZINC001274096483 827968333 /nfs/dbraw/zinc/96/83/33/827968333.db2.gz FMNMNFGWXNKKLT-NNTXTVRGSA-N 2 1 279.384 -0.008 20 30 CBEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001275800803 828116224 /nfs/dbraw/zinc/11/62/24/828116224.db2.gz LFSAETMGXWHXBF-ZIAGYGMSSA-N 2 1 297.399 -0.597 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278077555 828242836 /nfs/dbraw/zinc/24/28/36/828242836.db2.gz KZUVDEUGHDUMFU-CHWSQXEVSA-N 2 1 267.373 -0.441 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001278105999 828247424 /nfs/dbraw/zinc/24/74/24/828247424.db2.gz RASLWZFYKBPUMW-CHWSQXEVSA-N 2 1 267.373 -0.439 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001278105999 828247428 /nfs/dbraw/zinc/24/74/28/828247428.db2.gz RASLWZFYKBPUMW-CHWSQXEVSA-N 2 1 267.373 -0.439 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001278196249 828258221 /nfs/dbraw/zinc/25/82/21/828258221.db2.gz XHJVHNUPZBTQMR-GFCCVEGCSA-N 2 1 264.329 -0.718 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001278202674 828259726 /nfs/dbraw/zinc/25/97/26/828259726.db2.gz TVVIWADGWPUPAR-GJZGRUSLSA-N 2 1 289.379 -0.011 20 30 CBEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC001326000853 884866566 /nfs/dbraw/zinc/86/65/66/884866566.db2.gz BUOHRKPYRFFLFX-GFCCVEGCSA-N 2 1 268.361 -0.154 20 30 CBEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC001326000853 884866575 /nfs/dbraw/zinc/86/65/75/884866575.db2.gz BUOHRKPYRFFLFX-GFCCVEGCSA-N 2 1 268.361 -0.154 20 30 CBEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001326149548 884924545 /nfs/dbraw/zinc/92/45/45/884924545.db2.gz YAOSXQUZTCEEHI-ZDUSSCGKSA-N 2 1 269.389 -0.075 20 30 CBEDMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001326584789 885076121 /nfs/dbraw/zinc/07/61/21/885076121.db2.gz YQUDQNBVTSVYRL-VXGBXAGGSA-N 2 1 290.371 -0.086 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001329550953 886118202 /nfs/dbraw/zinc/11/82/02/886118202.db2.gz YTWIGHMYVNXDEI-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001329550953 886118205 /nfs/dbraw/zinc/11/82/05/886118205.db2.gz YTWIGHMYVNXDEI-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001331725901 886940146 /nfs/dbraw/zinc/94/01/46/886940146.db2.gz QXRBLMKFOJPYHD-UONOGXRCSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001331725892 886940499 /nfs/dbraw/zinc/94/04/99/886940499.db2.gz QXRBLMKFOJPYHD-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001350818744 891049483 /nfs/dbraw/zinc/04/94/83/891049483.db2.gz NYAFYMKMPICNSY-UHFFFAOYSA-N 2 1 282.388 -0.440 20 30 CBEDMP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001353325432 891404048 /nfs/dbraw/zinc/40/40/48/891404048.db2.gz AYFPXBNPOMXCOT-NEPJUHHUSA-N 2 1 255.362 -0.057 20 30 CBEDMP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC001353325455 891405453 /nfs/dbraw/zinc/40/54/53/891405453.db2.gz AYFPXBNPOMXCOT-NWDGAFQWSA-N 2 1 255.362 -0.057 20 30 CBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001401565830 902168664 /nfs/dbraw/zinc/16/86/64/902168664.db2.gz VTGBYOGHRHCKFB-GHMZBOCLSA-N 2 1 275.780 -0.100 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001403732828 902828863 /nfs/dbraw/zinc/82/88/63/902828863.db2.gz CCKLURVGGMVIIQ-LLVKDONJSA-N 2 1 275.780 -0.099 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425791226 908742008 /nfs/dbraw/zinc/74/20/08/908742008.db2.gz JHMIRJRLKWATTA-WDEREUQCSA-N 2 1 275.780 -0.100 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425791226 908742011 /nfs/dbraw/zinc/74/20/11/908742011.db2.gz JHMIRJRLKWATTA-WDEREUQCSA-N 2 1 275.780 -0.100 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001507228912 921760774 /nfs/dbraw/zinc/76/07/74/921760774.db2.gz XSVYBJDCRJRREK-UONOGXRCSA-N 2 1 281.400 -0.192 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507232232 921764714 /nfs/dbraw/zinc/76/47/14/921764714.db2.gz KJAKPHYEKGFTPV-CHWSQXEVSA-N 2 1 267.373 -0.582 20 30 CBEDMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001471630145 915604036 /nfs/dbraw/zinc/60/40/36/915604036.db2.gz LIQGCAPSKZTLIU-ZIAGYGMSSA-N 2 1 296.415 -0.352 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507263637 921792172 /nfs/dbraw/zinc/79/21/72/921792172.db2.gz ARMLOWGKBUGUQO-UONOGXRCSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479676849 916150525 /nfs/dbraw/zinc/15/05/25/916150525.db2.gz RYVKRMDLGXGMFZ-AWEZNQCLSA-N 2 1 297.399 -0.643 20 30 CBEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479676849 916150532 /nfs/dbraw/zinc/15/05/32/916150532.db2.gz RYVKRMDLGXGMFZ-AWEZNQCLSA-N 2 1 297.399 -0.643 20 30 CBEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001479676849 916150540 /nfs/dbraw/zinc/15/05/40/916150540.db2.gz RYVKRMDLGXGMFZ-AWEZNQCLSA-N 2 1 297.399 -0.643 20 30 CBEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001479676849 916150553 /nfs/dbraw/zinc/15/05/53/916150553.db2.gz RYVKRMDLGXGMFZ-AWEZNQCLSA-N 2 1 297.399 -0.643 20 30 CBEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001479941425 916222043 /nfs/dbraw/zinc/22/20/43/916222043.db2.gz OTHWHTYIJJEKER-AWEZNQCLSA-N 2 1 280.416 -0.142 20 30 CBEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001480010955 916259508 /nfs/dbraw/zinc/25/95/08/916259508.db2.gz SHGFVFUWEKGNDE-OLZOCXBDSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001480010955 916259525 /nfs/dbraw/zinc/25/95/25/916259525.db2.gz SHGFVFUWEKGNDE-OLZOCXBDSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001480054526 916275564 /nfs/dbraw/zinc/27/55/64/916275564.db2.gz YPHWVKABVKNDOT-CQSZACIVSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480571576 916477221 /nfs/dbraw/zinc/47/72/21/916477221.db2.gz IVJCFLAYMAVXBQ-OLZOCXBDSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480636653 916507522 /nfs/dbraw/zinc/50/75/22/916507522.db2.gz FBJLRLUFSLCWKG-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480636653 916507538 /nfs/dbraw/zinc/50/75/38/916507538.db2.gz FBJLRLUFSLCWKG-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482269499 917110126 /nfs/dbraw/zinc/11/01/26/917110126.db2.gz PFIMKAWGHGPNAW-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482269499 917110131 /nfs/dbraw/zinc/11/01/31/917110131.db2.gz PFIMKAWGHGPNAW-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482588256 917168352 /nfs/dbraw/zinc/16/83/52/917168352.db2.gz PEBKDMUABGEVGB-ZDUSSCGKSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001482588256 917168369 /nfs/dbraw/zinc/16/83/69/917168369.db2.gz PEBKDMUABGEVGB-ZDUSSCGKSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482588256 917168375 /nfs/dbraw/zinc/16/83/75/917168375.db2.gz PEBKDMUABGEVGB-ZDUSSCGKSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482588256 917168381 /nfs/dbraw/zinc/16/83/81/917168381.db2.gz PEBKDMUABGEVGB-ZDUSSCGKSA-N 2 1 267.373 -0.270 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001482742528 917249203 /nfs/dbraw/zinc/24/92/03/917249203.db2.gz RWRFWUOCSLHLAC-QWHCGFSZSA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001483019245 917377706 /nfs/dbraw/zinc/37/77/06/917377706.db2.gz HPTKNTCMIDOULF-GJBLVYBDSA-N 2 1 259.353 -0.021 20 30 CBEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001483019245 917377723 /nfs/dbraw/zinc/37/77/23/917377723.db2.gz HPTKNTCMIDOULF-GJBLVYBDSA-N 2 1 259.353 -0.021 20 30 CBEDMP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001483325446 917526238 /nfs/dbraw/zinc/52/62/38/917526238.db2.gz YXQOTISGAAXHBO-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001483325446 917526249 /nfs/dbraw/zinc/52/62/49/917526249.db2.gz YXQOTISGAAXHBO-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483325446 917526260 /nfs/dbraw/zinc/52/62/60/917526260.db2.gz YXQOTISGAAXHBO-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483325446 917526270 /nfs/dbraw/zinc/52/62/70/917526270.db2.gz YXQOTISGAAXHBO-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483457865 917566823 /nfs/dbraw/zinc/56/68/23/917566823.db2.gz VNUQLFSNSYXXLP-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483457865 917566836 /nfs/dbraw/zinc/56/68/36/917566836.db2.gz VNUQLFSNSYXXLP-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001483935778 917707633 /nfs/dbraw/zinc/70/76/33/917707633.db2.gz YZTYHGZZQHKTGQ-OLZOCXBDSA-N 2 1 292.383 -0.850 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001483935778 917707643 /nfs/dbraw/zinc/70/76/43/917707643.db2.gz YZTYHGZZQHKTGQ-OLZOCXBDSA-N 2 1 292.383 -0.850 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001484208058 917761569 /nfs/dbraw/zinc/76/15/69/917761569.db2.gz LGPUPFFPXBIVQT-DZGCQCFKSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484208058 917761584 /nfs/dbraw/zinc/76/15/84/917761584.db2.gz LGPUPFFPXBIVQT-DZGCQCFKSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484208058 917761598 /nfs/dbraw/zinc/76/15/98/917761598.db2.gz LGPUPFFPXBIVQT-DZGCQCFKSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239090 917786440 /nfs/dbraw/zinc/78/64/40/917786440.db2.gz QZYTWVCZEVOOSI-ZDUSSCGKSA-N 2 1 253.346 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001485390351 918104675 /nfs/dbraw/zinc/10/46/75/918104675.db2.gz ZDYNLMWLUNVAHH-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001485390351 918104679 /nfs/dbraw/zinc/10/46/79/918104679.db2.gz ZDYNLMWLUNVAHH-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001485390351 918104683 /nfs/dbraw/zinc/10/46/83/918104683.db2.gz ZDYNLMWLUNVAHH-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001485390351 918104687 /nfs/dbraw/zinc/10/46/87/918104687.db2.gz ZDYNLMWLUNVAHH-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485994574 918290787 /nfs/dbraw/zinc/29/07/87/918290787.db2.gz BMOINIMJYFZMIZ-IJLUTSLNSA-N 2 1 255.362 -0.421 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001486056420 918350564 /nfs/dbraw/zinc/35/05/64/918350564.db2.gz RVKRORPFKFSJLI-HIFRSBDPSA-N 2 1 279.384 -0.438 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053364 918350639 /nfs/dbraw/zinc/35/06/39/918350639.db2.gz ZMMYPMQMQGPIML-QWHCGFSZSA-N 2 1 267.373 -0.582 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053362 918350802 /nfs/dbraw/zinc/35/08/02/918350802.db2.gz ZMMYPMQMQGPIML-OLZOCXBDSA-N 2 1 267.373 -0.582 20 30 CBEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001486332786 918437647 /nfs/dbraw/zinc/43/76/47/918437647.db2.gz IZVHPPYZDHKNKY-UONOGXRCSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001486332786 918437659 /nfs/dbraw/zinc/43/76/59/918437659.db2.gz IZVHPPYZDHKNKY-UONOGXRCSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486332786 918437664 /nfs/dbraw/zinc/43/76/64/918437664.db2.gz IZVHPPYZDHKNKY-UONOGXRCSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486332786 918437674 /nfs/dbraw/zinc/43/76/74/918437674.db2.gz IZVHPPYZDHKNKY-UONOGXRCSA-N 2 1 299.415 -0.356 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001488820103 918772353 /nfs/dbraw/zinc/77/23/53/918772353.db2.gz IATFLLDYBGCEKA-IHRRRGAJSA-N 2 1 279.384 -0.175 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001488820103 918772363 /nfs/dbraw/zinc/77/23/63/918772363.db2.gz IATFLLDYBGCEKA-IHRRRGAJSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559327 918934265 /nfs/dbraw/zinc/93/42/65/918934265.db2.gz XOBYZGIAIJTASN-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559327 918934270 /nfs/dbraw/zinc/93/42/70/918934270.db2.gz XOBYZGIAIJTASN-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490648015 918952021 /nfs/dbraw/zinc/95/20/21/918952021.db2.gz GXADFLORBDBVHK-KGLIPLIRSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490648015 918952037 /nfs/dbraw/zinc/95/20/37/918952037.db2.gz GXADFLORBDBVHK-KGLIPLIRSA-N 2 1 279.384 -0.175 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001491529991 919195412 /nfs/dbraw/zinc/19/54/12/919195412.db2.gz UTRJYCWKWAEODC-LBPRGKRZSA-N 2 1 278.356 -0.064 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N(C)C ZINC001493580006 919586468 /nfs/dbraw/zinc/58/64/68/919586468.db2.gz SZAOEDJKDPBRST-ZDUSSCGKSA-N 2 1 294.399 -0.780 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N(C)C ZINC001493580006 919586475 /nfs/dbraw/zinc/58/64/75/919586475.db2.gz SZAOEDJKDPBRST-ZDUSSCGKSA-N 2 1 294.399 -0.780 20 30 CBEDMP C#CC[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCOCC1 ZINC001495081676 919857106 /nfs/dbraw/zinc/85/71/06/919857106.db2.gz UQFMJDSKAQBPBM-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497113677 920251697 /nfs/dbraw/zinc/25/16/97/920251697.db2.gz LLEGNLZUWJIAMG-NEPJUHHUSA-N 2 1 253.346 -0.972 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497361390 920292345 /nfs/dbraw/zinc/29/23/45/920292345.db2.gz FOCHUAYLKHIATH-ZDUSSCGKSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651150 920364300 /nfs/dbraw/zinc/36/43/00/920364300.db2.gz UTDGZXIIAIEMKM-MUBLQREKSA-N 2 1 294.399 -0.355 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498448967 920587087 /nfs/dbraw/zinc/58/70/87/920587087.db2.gz AQMAEFYLLGYSMN-QWHCGFSZSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498448967 920587099 /nfs/dbraw/zinc/58/70/99/920587099.db2.gz AQMAEFYLLGYSMN-QWHCGFSZSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498448967 920587113 /nfs/dbraw/zinc/58/71/13/920587113.db2.gz AQMAEFYLLGYSMN-QWHCGFSZSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498448967 920587119 /nfs/dbraw/zinc/58/71/19/920587119.db2.gz AQMAEFYLLGYSMN-QWHCGFSZSA-N 2 1 294.399 -0.876 20 30 CBEDMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498528839 920602478 /nfs/dbraw/zinc/60/24/78/920602478.db2.gz IGTKJCNUQFGYLM-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498528839 920602487 /nfs/dbraw/zinc/60/24/87/920602487.db2.gz IGTKJCNUQFGYLM-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500750481 920876886 /nfs/dbraw/zinc/87/68/86/920876886.db2.gz FJYGUKBJKXZNFJ-HNNXBMFYSA-N 2 1 277.368 -0.732 20 30 CBEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762911 920880595 /nfs/dbraw/zinc/88/05/95/920880595.db2.gz RFKBFBBXUDWZDC-AWEZNQCLSA-N 2 1 267.373 -0.179 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611834 924187944 /nfs/dbraw/zinc/18/79/44/924187944.db2.gz YMFRWVYXPXDDRO-UHFFFAOYSA-N 2 1 253.346 -0.307 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180341 351579945 /nfs/dbraw/zinc/57/99/45/351579945.db2.gz FNRPILSJEYCODQ-NEPJUHHUSA-N 2 1 282.388 -0.536 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179611 351580766 /nfs/dbraw/zinc/58/07/66/351580766.db2.gz WZBROZTXECFTPG-NSHDSACASA-N 2 1 268.361 -0.925 20 30 CBEDMP C[C@@H]1C[C@H](O)C[N@H+]1CC#CC[NH+]1C[C@@H](O)C[C@@H]1C ZINC000341905777 353218007 /nfs/dbraw/zinc/21/80/07/353218007.db2.gz CRIRAWSLIYXEPA-CRWXNKLISA-N 2 1 252.358 -0.100 20 30 CBEDMP C[C@@H]1C[C@H](O)C[N@@H+]1CC#CC[NH+]1C[C@@H](O)C[C@@H]1C ZINC000341905777 353218009 /nfs/dbraw/zinc/21/80/09/353218009.db2.gz CRIRAWSLIYXEPA-CRWXNKLISA-N 2 1 252.358 -0.100 20 30 CBEDMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424143899 354211772 /nfs/dbraw/zinc/21/17/72/354211772.db2.gz KCCXYLHTUBUQDB-FRRDWIJNSA-N 2 1 282.388 -0.079 20 30 CBEDMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424143899 354211774 /nfs/dbraw/zinc/21/17/74/354211774.db2.gz KCCXYLHTUBUQDB-FRRDWIJNSA-N 2 1 282.388 -0.079 20 30 CBEDMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000563145002 354699135 /nfs/dbraw/zinc/69/91/35/354699135.db2.gz YMRNTOLOZOSIQI-KBPBESRZSA-N 2 1 293.367 -0.338 20 30 CBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603430703 355715059 /nfs/dbraw/zinc/71/50/59/355715059.db2.gz BTVDKNXTSCNXSA-IUCAKERBSA-N 2 1 254.334 -0.286 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131587623 220211308 /nfs/dbraw/zinc/21/13/08/220211308.db2.gz CKIILJRSVXDSQB-NXEZZACHSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131587623 220211310 /nfs/dbraw/zinc/21/13/10/220211310.db2.gz CKIILJRSVXDSQB-NXEZZACHSA-N 2 1 254.334 -0.333 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COCCO1 ZINC000262011835 220247625 /nfs/dbraw/zinc/24/76/25/220247625.db2.gz UJMLPTQVGAPWKU-RYUDHWBXSA-N 2 1 270.377 -0.210 20 30 CBEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000262312147 220249892 /nfs/dbraw/zinc/24/98/92/220249892.db2.gz PYSIAKPMXIZEJG-CMPLNLGQSA-N 2 1 256.350 -0.864 20 30 CBEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262312151 220250163 /nfs/dbraw/zinc/25/01/63/220250163.db2.gz PYSIAKPMXIZEJG-ZYHUDNBSSA-N 2 1 256.350 -0.864 20 30 CBEDMP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@@H]1CCC[N@H+]1C ZINC000262452011 220251688 /nfs/dbraw/zinc/25/16/88/220251688.db2.gz UUDACHLRDLCBPW-QWHCGFSZSA-N 2 1 294.403 -0.287 20 30 CBEDMP C[NH+]=C(NCC(=O)NC1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262842851 220256988 /nfs/dbraw/zinc/25/69/88/220256988.db2.gz XSLPNCZWGYMMBM-NSHDSACASA-N 2 1 279.388 -0.333 20 30 CBEDMP C[NH+]=C(NCC(=O)NC1CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262842851 220256992 /nfs/dbraw/zinc/25/69/92/220256992.db2.gz XSLPNCZWGYMMBM-NSHDSACASA-N 2 1 279.388 -0.333 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1ccnc1 ZINC000264148347 220263181 /nfs/dbraw/zinc/26/31/81/220263181.db2.gz YOCCFARPWHXDCL-UHFFFAOYSA-N 2 1 280.376 -0.490 20 30 CBEDMP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000264110411 220264487 /nfs/dbraw/zinc/26/44/87/220264487.db2.gz QPJOKIFJLDGPDM-GFCCVEGCSA-N 2 1 291.403 -0.137 20 30 CBEDMP CCOCCCNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303886673 220325511 /nfs/dbraw/zinc/32/55/11/220325511.db2.gz NVVXWGIRCCLICX-UHFFFAOYSA-N 2 1 285.436 -0.045 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000491474099 261621460 /nfs/dbraw/zinc/62/14/60/261621460.db2.gz JZMRFEQNONKRBJ-UHFFFAOYSA-N 2 1 267.373 -0.174 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCO[C@@H]1C ZINC000262728028 276371204 /nfs/dbraw/zinc/37/12/04/276371204.db2.gz HPNUVACYOXJBAB-YRGRVCCFSA-N 2 1 284.404 -0.085 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262758928 276378054 /nfs/dbraw/zinc/37/80/54/276378054.db2.gz FFZOBYVJSJSYBX-UONOGXRCSA-N 3 1 294.447 -0.625 20 30 CBEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN2CCN1CC2 ZINC000262758928 276378056 /nfs/dbraw/zinc/37/80/56/276378056.db2.gz FFZOBYVJSJSYBX-UONOGXRCSA-N 2 1 294.447 -0.625 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN2CCN1CC2 ZINC000262758928 276378058 /nfs/dbraw/zinc/37/80/58/276378058.db2.gz FFZOBYVJSJSYBX-UONOGXRCSA-N 2 1 294.447 -0.625 20 30 CBEDMP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000264110415 278218037 /nfs/dbraw/zinc/21/80/37/278218037.db2.gz QPJOKIFJLDGPDM-LBPRGKRZSA-N 2 1 291.403 -0.137 20 30 CBEDMP CN(C)C(=[NH+]CCC(=O)N1CC[NH+](C)CC1)N(C)C ZINC000170912747 329072400 /nfs/dbraw/zinc/07/24/00/329072400.db2.gz YUYGQJDTTUVCMD-UHFFFAOYSA-N 2 1 269.393 -0.370 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000491297670 332184647 /nfs/dbraw/zinc/18/46/47/332184647.db2.gz RPCJOICWDCKWGH-AWEZNQCLSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000491297670 332184649 /nfs/dbraw/zinc/18/46/49/332184649.db2.gz RPCJOICWDCKWGH-AWEZNQCLSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000491384884 332202042 /nfs/dbraw/zinc/20/20/42/332202042.db2.gz PXYZBUBHPAXOLB-LBPRGKRZSA-N 2 1 252.362 -0.022 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000491415764 332207748 /nfs/dbraw/zinc/20/77/48/332207748.db2.gz IJPMEGHYXYELSH-UHFFFAOYSA-N 2 1 293.411 -0.048 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1COCCN1CC ZINC000491462551 332215966 /nfs/dbraw/zinc/21/59/66/332215966.db2.gz JHPHEEZNUWHGCI-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000491794193 332354075 /nfs/dbraw/zinc/35/40/75/332354075.db2.gz OWDYXDJSCXCFFV-AWEZNQCLSA-N 2 1 265.357 -0.780 20 30 CBEDMP C#CCN1CCN(C(=O)CN2CC[C@](C)(O)C2)CC1 ZINC000491794193 332354076 /nfs/dbraw/zinc/35/40/76/332354076.db2.gz OWDYXDJSCXCFFV-AWEZNQCLSA-N 2 1 265.357 -0.780 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000491794194 332354121 /nfs/dbraw/zinc/35/41/21/332354121.db2.gz OWDYXDJSCXCFFV-CQSZACIVSA-N 2 1 265.357 -0.780 20 30 CBEDMP C#CCN1CCN(C(=O)CN2CC[C@@](C)(O)C2)CC1 ZINC000491794194 332354122 /nfs/dbraw/zinc/35/41/22/332354122.db2.gz OWDYXDJSCXCFFV-CQSZACIVSA-N 2 1 265.357 -0.780 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000491806028 332359381 /nfs/dbraw/zinc/35/93/81/332359381.db2.gz QATCTUGGDWEKRJ-GFCCVEGCSA-N 2 1 268.361 -0.771 20 30 CBEDMP C=CCNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720933 335164868 /nfs/dbraw/zinc/16/48/68/335164868.db2.gz ADVHGMLAQSWBNK-UHFFFAOYSA-N 2 1 268.405 -0.142 20 30 CBEDMP C=CCNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720933 335164870 /nfs/dbraw/zinc/16/48/70/335164870.db2.gz ADVHGMLAQSWBNK-UHFFFAOYSA-N 2 1 268.405 -0.142 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000104152628 582113190 /nfs/dbraw/zinc/11/31/90/582113190.db2.gz IQVLFQIAOXCDLI-UHFFFAOYSA-N 2 1 256.350 -0.644 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+](C)C(C)C ZINC000104191716 582113280 /nfs/dbraw/zinc/11/32/80/582113280.db2.gz LLFHAYVHCBYHPL-UHFFFAOYSA-N 2 1 285.436 -0.176 20 30 CBEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000747405134 582286281 /nfs/dbraw/zinc/28/62/81/582286281.db2.gz UXMLCCZDQYOEAL-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000747405134 582286282 /nfs/dbraw/zinc/28/62/82/582286282.db2.gz UXMLCCZDQYOEAL-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCNC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000747966252 582287131 /nfs/dbraw/zinc/28/71/31/582287131.db2.gz VLGSGIGJUHKCBW-OAHLLOKOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986326 582524373 /nfs/dbraw/zinc/52/43/73/582524373.db2.gz KYFPQXKBYIAESH-CHWSQXEVSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986326 582524376 /nfs/dbraw/zinc/52/43/76/582524376.db2.gz KYFPQXKBYIAESH-CHWSQXEVSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000841909792 583176438 /nfs/dbraw/zinc/17/64/38/583176438.db2.gz HUOXVUSHCGTTBL-STQMWFEESA-N 2 1 282.388 -0.301 20 30 CBEDMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843460606 583222051 /nfs/dbraw/zinc/22/20/51/583222051.db2.gz HXJDMVVEIFDGMB-XWIASGKRSA-N 2 1 274.324 -0.077 20 30 CBEDMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843460597 583222094 /nfs/dbraw/zinc/22/20/94/583222094.db2.gz HXJDMVVEIFDGMB-CDMKHQONSA-N 2 1 274.324 -0.077 20 30 CBEDMP C#CCC[NH+]1CCN(C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000846836678 583388732 /nfs/dbraw/zinc/38/87/32/583388732.db2.gz HPYPCOWAYDCKOC-HNNXBMFYSA-N 2 1 283.416 -0.434 20 30 CBEDMP C[C@H](CNC1=[NH+]C[C@H](C)N1)CN1CC[NH+](C)CC1 ZINC000848994714 583465497 /nfs/dbraw/zinc/46/54/97/583465497.db2.gz YIZFJCJKVVWVMV-NEPJUHHUSA-N 2 1 253.394 -0.193 20 30 CBEDMP C=CCNC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999331 583465568 /nfs/dbraw/zinc/46/55/68/583465568.db2.gz WDZJQGDBYKVOFS-NSHDSACASA-N 2 1 267.377 -0.126 20 30 CBEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC1=[NH+]CCN1C ZINC000849001313 583466409 /nfs/dbraw/zinc/46/64/09/583466409.db2.gz PELNSEUUBJGMFW-LBPRGKRZSA-N 2 1 281.404 -0.180 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004803 583466925 /nfs/dbraw/zinc/46/69/25/583466925.db2.gz AXGKMFNDUBUDAX-CQSZACIVSA-N 2 1 297.447 -0.175 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC#N ZINC000849028014 583469489 /nfs/dbraw/zinc/46/94/89/583469489.db2.gz WWTKQBGWOOSJCA-JTQLQIEISA-N 2 1 266.349 -0.776 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852863794 583563148 /nfs/dbraw/zinc/56/31/48/583563148.db2.gz IPCMKQIRNRFURB-LSDHHAIUSA-N 2 1 291.395 -0.031 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852863792 583563259 /nfs/dbraw/zinc/56/32/59/583563259.db2.gz IPCMKQIRNRFURB-GJZGRUSLSA-N 2 1 291.395 -0.031 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)NCC[N@H+]1CCCOCC1 ZINC000852886532 583569076 /nfs/dbraw/zinc/56/90/76/583569076.db2.gz OUBLWOTWQJHRSH-UHFFFAOYSA-N 2 1 279.384 -0.172 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000863324367 583838495 /nfs/dbraw/zinc/83/84/95/583838495.db2.gz WTBWTIAAXGNQPE-CQSZACIVSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000878454665 584203558 /nfs/dbraw/zinc/20/35/58/584203558.db2.gz ZWASGPCOHLSGAV-KBPBESRZSA-N 2 1 279.384 -0.033 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000900657882 584819368 /nfs/dbraw/zinc/81/93/68/584819368.db2.gz CKUALGIXFAZMLE-ZDUSSCGKSA-N 2 1 268.405 -0.144 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000978278296 613200068 /nfs/dbraw/zinc/20/00/68/613200068.db2.gz DIOIQVARUOFCBN-XQLPTFJDSA-N 2 1 291.395 -0.630 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000978278296 613200069 /nfs/dbraw/zinc/20/00/69/613200069.db2.gz DIOIQVARUOFCBN-XQLPTFJDSA-N 2 1 291.395 -0.630 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000978278296 613200071 /nfs/dbraw/zinc/20/00/71/613200071.db2.gz DIOIQVARUOFCBN-XQLPTFJDSA-N 2 1 291.395 -0.630 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000978278296 613200072 /nfs/dbraw/zinc/20/00/72/613200072.db2.gz DIOIQVARUOFCBN-XQLPTFJDSA-N 2 1 291.395 -0.630 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCO)C1 ZINC000969864811 613202082 /nfs/dbraw/zinc/20/20/82/613202082.db2.gz FVIZXEPIJZAFSO-HIFRSBDPSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCO)C1 ZINC000969864811 613202083 /nfs/dbraw/zinc/20/20/83/613202083.db2.gz FVIZXEPIJZAFSO-HIFRSBDPSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373243 613285395 /nfs/dbraw/zinc/28/53/95/613285395.db2.gz DSETUSYEFBSFKA-UONOGXRCSA-N 2 1 279.384 -0.630 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958595459 613614653 /nfs/dbraw/zinc/61/46/53/613614653.db2.gz RTAHZMHSCZOCLF-ZIAGYGMSSA-N 2 1 291.395 -0.486 20 30 CBEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977954514 613835044 /nfs/dbraw/zinc/83/50/44/613835044.db2.gz LOUGWDLHMXBNLS-FQUUOJAGSA-N 2 1 279.384 -0.203 20 30 CBEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977954514 613835045 /nfs/dbraw/zinc/83/50/45/613835045.db2.gz LOUGWDLHMXBNLS-FQUUOJAGSA-N 2 1 279.384 -0.203 20 30 CBEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977954514 613835046 /nfs/dbraw/zinc/83/50/46/613835046.db2.gz LOUGWDLHMXBNLS-FQUUOJAGSA-N 2 1 279.384 -0.203 20 30 CBEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977954514 613835048 /nfs/dbraw/zinc/83/50/48/613835048.db2.gz LOUGWDLHMXBNLS-FQUUOJAGSA-N 2 1 279.384 -0.203 20 30 CBEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962655421 613839580 /nfs/dbraw/zinc/83/95/80/613839580.db2.gz SWBYIIKEWAAOEI-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000962655421 613839581 /nfs/dbraw/zinc/83/95/81/613839581.db2.gz SWBYIIKEWAAOEI-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962655421 613839582 /nfs/dbraw/zinc/83/95/82/613839582.db2.gz SWBYIIKEWAAOEI-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962655421 613839583 /nfs/dbraw/zinc/83/95/83/613839583.db2.gz SWBYIIKEWAAOEI-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP CCOCCCNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912734 656083372 /nfs/dbraw/zinc/08/33/72/656083372.db2.gz XRKDCVHPFQTDIC-UHFFFAOYSA-N 2 1 299.419 -0.519 20 30 CBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262255162 656129909 /nfs/dbraw/zinc/12/99/09/656129909.db2.gz DTDQHHPXURZEQA-RYUDHWBXSA-N 2 1 269.393 -0.685 20 30 CBEDMP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262316922 656130484 /nfs/dbraw/zinc/13/04/84/656130484.db2.gz QVPDJYZVFPZJLX-WDEREUQCSA-N 2 1 281.404 -0.135 20 30 CBEDMP CNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303387466 656138704 /nfs/dbraw/zinc/13/87/04/656138704.db2.gz WSVDMMPKWNLMMY-JTQLQIEISA-N 2 1 255.366 -0.537 20 30 CBEDMP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000303371363 656138938 /nfs/dbraw/zinc/13/89/38/656138938.db2.gz KXKZDAZVTUCENA-UONOGXRCSA-N 2 1 297.447 -0.047 20 30 CBEDMP CCCNC(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303775080 656139311 /nfs/dbraw/zinc/13/93/11/656139311.db2.gz GPGTUFQMGMDNMR-NSHDSACASA-N 2 1 269.393 -0.099 20 30 CBEDMP COCCOCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303885116 656139385 /nfs/dbraw/zinc/13/93/85/656139385.db2.gz MZPSMIFNLAPJDR-UHFFFAOYSA-N 2 1 288.392 -0.724 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303792187 656139439 /nfs/dbraw/zinc/13/94/39/656139439.db2.gz YFSBBGPGMUOJLG-LLVKDONJSA-N 2 1 267.377 -0.346 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000303701107 656139519 /nfs/dbraw/zinc/13/95/19/656139519.db2.gz IBJMMGSMZJVJEH-CQSZACIVSA-N 2 1 297.447 -0.032 20 30 CBEDMP CC[N@H+]1CC[C@@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303906751 656140235 /nfs/dbraw/zinc/14/02/35/656140235.db2.gz WHCSMKBPKQCAOT-AWEZNQCLSA-N 2 1 297.447 -0.175 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303980727 656140479 /nfs/dbraw/zinc/14/04/79/656140479.db2.gz OKLGRTOOBDQIRP-CYBMUJFWSA-N 2 1 285.436 -0.047 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303980727 656140481 /nfs/dbraw/zinc/14/04/81/656140481.db2.gz OKLGRTOOBDQIRP-CYBMUJFWSA-N 2 1 285.436 -0.047 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303980727 656140483 /nfs/dbraw/zinc/14/04/83/656140483.db2.gz OKLGRTOOBDQIRP-CYBMUJFWSA-N 2 1 285.436 -0.047 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305797471 656141253 /nfs/dbraw/zinc/14/12/53/656141253.db2.gz GEBMOGZAOPURHO-GFCCVEGCSA-N 2 1 281.404 -0.099 20 30 CBEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001280450 656806713 /nfs/dbraw/zinc/80/67/13/656806713.db2.gz YBRQXMSABMSKPH-CQSZACIVSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001280450 656806717 /nfs/dbraw/zinc/80/67/17/656806717.db2.gz YBRQXMSABMSKPH-CQSZACIVSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014473322 657363142 /nfs/dbraw/zinc/36/31/42/657363142.db2.gz RLUPSUFQUVEJEO-ZDUSSCGKSA-N 2 1 289.383 -0.118 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014473322 657363146 /nfs/dbraw/zinc/36/31/46/657363146.db2.gz RLUPSUFQUVEJEO-ZDUSSCGKSA-N 2 1 289.383 -0.118 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015332394 657434397 /nfs/dbraw/zinc/43/43/97/657434397.db2.gz BCJOVVFWZGCLGU-MYMJJRTCSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015332394 657434400 /nfs/dbraw/zinc/43/44/00/657434400.db2.gz BCJOVVFWZGCLGU-MYMJJRTCSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015332394 657434404 /nfs/dbraw/zinc/43/44/04/657434404.db2.gz BCJOVVFWZGCLGU-MYMJJRTCSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015332394 657434406 /nfs/dbraw/zinc/43/44/06/657434406.db2.gz BCJOVVFWZGCLGU-MYMJJRTCSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001016337651 657694370 /nfs/dbraw/zinc/69/43/70/657694370.db2.gz SOQGKEFHSOVPAW-UKRRQHHQSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CCC[C@@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923400580 658257493 /nfs/dbraw/zinc/25/74/93/658257493.db2.gz XBOLYMPKYJHPGV-CQSZACIVSA-N 2 1 296.415 -0.044 20 30 CBEDMP C=CCN(CC=C)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466413 658298023 /nfs/dbraw/zinc/29/80/23/658298023.db2.gz YLRPUHBWJWABAX-UHFFFAOYSA-N 2 1 266.389 -0.318 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000923552351 658318232 /nfs/dbraw/zinc/31/82/32/658318232.db2.gz WRGOHQHFXBXAMU-GUTXKFCHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)CN2C)C1 ZINC000923552351 658318246 /nfs/dbraw/zinc/31/82/46/658318246.db2.gz WRGOHQHFXBXAMU-GUTXKFCHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC1(O)CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000931151492 659387387 /nfs/dbraw/zinc/38/73/87/659387387.db2.gz NOMNQKQBURXBRT-UHFFFAOYSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989561063 659594131 /nfs/dbraw/zinc/59/41/31/659594131.db2.gz BIAKGLINYBBHSB-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021926902 790970808 /nfs/dbraw/zinc/97/08/08/790970808.db2.gz XUYADDXPPHDZDD-TUAOUCFPSA-N 2 1 251.330 -0.813 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021926902 790970815 /nfs/dbraw/zinc/97/08/15/790970815.db2.gz XUYADDXPPHDZDD-TUAOUCFPSA-N 2 1 251.330 -0.813 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022451920 791015262 /nfs/dbraw/zinc/01/52/62/791015262.db2.gz HJHKTZIGBQXSQX-VAVUMJPSSA-N 2 1 289.379 -0.280 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003002 805671879 /nfs/dbraw/zinc/67/18/79/805671879.db2.gz PBWAUEXHWHOQRV-RRFJBIMHSA-N 2 1 291.395 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003002 805671886 /nfs/dbraw/zinc/67/18/86/805671886.db2.gz PBWAUEXHWHOQRV-RRFJBIMHSA-N 2 1 291.395 -0.487 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077022724 805672835 /nfs/dbraw/zinc/67/28/35/805672835.db2.gz RAQBWFWTWJWDRO-FDYHWXHSSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077022724 805672842 /nfs/dbraw/zinc/67/28/42/805672842.db2.gz RAQBWFWTWJWDRO-FDYHWXHSSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077022724 805672846 /nfs/dbraw/zinc/67/28/46/805672846.db2.gz RAQBWFWTWJWDRO-FDYHWXHSSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077022724 805672853 /nfs/dbraw/zinc/67/28/53/805672853.db2.gz RAQBWFWTWJWDRO-FDYHWXHSSA-N 2 1 267.373 -0.326 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679716 805769170 /nfs/dbraw/zinc/76/91/70/805769170.db2.gz ZZTQINJZKULLTB-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679716 805769173 /nfs/dbraw/zinc/76/91/73/805769173.db2.gz ZZTQINJZKULLTB-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679716 805769180 /nfs/dbraw/zinc/76/91/80/805769180.db2.gz ZZTQINJZKULLTB-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013033 805822785 /nfs/dbraw/zinc/82/27/85/805822785.db2.gz OAECWLPNPJUERE-VXGBXAGGSA-N 2 1 265.357 -0.571 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013033 805822794 /nfs/dbraw/zinc/82/27/94/805822794.db2.gz OAECWLPNPJUERE-VXGBXAGGSA-N 2 1 265.357 -0.571 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012036 805823045 /nfs/dbraw/zinc/82/30/45/805823045.db2.gz RWARWPUWNYWZOT-CHWSQXEVSA-N 2 1 279.384 -0.180 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328772 806165319 /nfs/dbraw/zinc/16/53/19/806165319.db2.gz KIEJDNRIOYWFRN-ZIAGYGMSSA-N 2 1 291.395 -0.079 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368804 806170695 /nfs/dbraw/zinc/17/06/95/806170695.db2.gz NRXUQSIMMJGPJT-JHJVBQTASA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368804 806170700 /nfs/dbraw/zinc/17/07/00/806170700.db2.gz NRXUQSIMMJGPJT-JHJVBQTASA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368804 806170705 /nfs/dbraw/zinc/17/07/05/806170705.db2.gz NRXUQSIMMJGPJT-JHJVBQTASA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368804 806170709 /nfs/dbraw/zinc/17/07/09/806170709.db2.gz NRXUQSIMMJGPJT-JHJVBQTASA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457818 806181098 /nfs/dbraw/zinc/18/10/98/806181098.db2.gz HCIAXJSCZWKZAO-JHJVBQTASA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457818 806181100 /nfs/dbraw/zinc/18/11/00/806181100.db2.gz HCIAXJSCZWKZAO-JHJVBQTASA-N 2 1 267.373 -0.061 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082935168 806198741 /nfs/dbraw/zinc/19/87/41/806198741.db2.gz NINVQXNGUPSGJY-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082935168 806198745 /nfs/dbraw/zinc/19/87/45/806198745.db2.gz NINVQXNGUPSGJY-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728111 806417176 /nfs/dbraw/zinc/41/71/76/806417176.db2.gz GLLOLLJXEMBEOR-XQLPTFJDSA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728111 806417183 /nfs/dbraw/zinc/41/71/83/806417183.db2.gz GLLOLLJXEMBEOR-XQLPTFJDSA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728111 806417190 /nfs/dbraw/zinc/41/71/90/806417190.db2.gz GLLOLLJXEMBEOR-XQLPTFJDSA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728111 806417195 /nfs/dbraw/zinc/41/71/95/806417195.db2.gz GLLOLLJXEMBEOR-XQLPTFJDSA-N 2 1 293.411 -0.099 20 30 CBEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053266 806480704 /nfs/dbraw/zinc/48/07/04/806480704.db2.gz XLJDUGYAWMGVFG-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053266 806480708 /nfs/dbraw/zinc/48/07/08/806480708.db2.gz XLJDUGYAWMGVFG-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053266 806480712 /nfs/dbraw/zinc/48/07/12/806480712.db2.gz XLJDUGYAWMGVFG-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059384 806482982 /nfs/dbraw/zinc/48/29/82/806482982.db2.gz GHVZAXSVEALTDO-OLZOCXBDSA-N 2 1 276.340 -0.624 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059384 806482992 /nfs/dbraw/zinc/48/29/92/806482992.db2.gz GHVZAXSVEALTDO-OLZOCXBDSA-N 2 1 276.340 -0.624 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060260 806484371 /nfs/dbraw/zinc/48/43/71/806484371.db2.gz OYSJMCBOXJEPES-OLZOCXBDSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060260 806484375 /nfs/dbraw/zinc/48/43/75/806484375.db2.gz OYSJMCBOXJEPES-OLZOCXBDSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058362 806485127 /nfs/dbraw/zinc/48/51/27/806485127.db2.gz XJKBNSAICVRZEE-OLZOCXBDSA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058362 806485133 /nfs/dbraw/zinc/48/51/33/806485133.db2.gz XJKBNSAICVRZEE-OLZOCXBDSA-N 2 1 267.373 -0.180 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159383 806548707 /nfs/dbraw/zinc/54/87/07/806548707.db2.gz RTPSFOUYFQAHJX-MCIONIFRSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159383 806548712 /nfs/dbraw/zinc/54/87/12/806548712.db2.gz RTPSFOUYFQAHJX-MCIONIFRSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797889 798976920 /nfs/dbraw/zinc/97/69/20/798976920.db2.gz YXSYBELVTCWJLW-SBJFKYEJSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025797889 798976922 /nfs/dbraw/zinc/97/69/22/798976922.db2.gz YXSYBELVTCWJLW-SBJFKYEJSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797889 798976925 /nfs/dbraw/zinc/97/69/25/798976925.db2.gz YXSYBELVTCWJLW-SBJFKYEJSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028994999 799184190 /nfs/dbraw/zinc/18/41/90/799184190.db2.gz FDGRIJDIDTURPC-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028994999 799184194 /nfs/dbraw/zinc/18/41/94/799184194.db2.gz FDGRIJDIDTURPC-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028994999 799184199 /nfs/dbraw/zinc/18/41/99/799184199.db2.gz FDGRIJDIDTURPC-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028994999 799184203 /nfs/dbraw/zinc/18/42/03/799184203.db2.gz FDGRIJDIDTURPC-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688360 799534182 /nfs/dbraw/zinc/53/41/82/799534182.db2.gz DNRLGQCQVUHVGF-KBPBESRZSA-N 2 1 277.368 -0.469 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688360 799534185 /nfs/dbraw/zinc/53/41/85/799534185.db2.gz DNRLGQCQVUHVGF-KBPBESRZSA-N 2 1 277.368 -0.469 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOC)C1 ZINC001031741168 799538549 /nfs/dbraw/zinc/53/85/49/799538549.db2.gz PXHHQNGZPCUGOW-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOC)C1 ZINC001031741168 799538552 /nfs/dbraw/zinc/53/85/52/799538552.db2.gz PXHHQNGZPCUGOW-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001034614457 799848934 /nfs/dbraw/zinc/84/89/34/799848934.db2.gz QPTVAHVPSNXOFV-MGPQQGTHSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001034614457 799848938 /nfs/dbraw/zinc/84/89/38/799848938.db2.gz QPTVAHVPSNXOFV-MGPQQGTHSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035615310 799953782 /nfs/dbraw/zinc/95/37/82/799953782.db2.gz XFDVOTPNLSCVTD-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035615310 799953788 /nfs/dbraw/zinc/95/37/88/799953788.db2.gz XFDVOTPNLSCVTD-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035615310 799953789 /nfs/dbraw/zinc/95/37/89/799953789.db2.gz XFDVOTPNLSCVTD-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035615310 799953796 /nfs/dbraw/zinc/95/37/96/799953796.db2.gz XFDVOTPNLSCVTD-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047510795 801890681 /nfs/dbraw/zinc/89/06/81/801890681.db2.gz AWEGDBXTPPBTFE-GJZGRUSLSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001047528203 801895335 /nfs/dbraw/zinc/89/53/35/801895335.db2.gz MZNSNAIMRFKUFN-ILXRZTDVSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047626853 801915442 /nfs/dbraw/zinc/91/54/42/801915442.db2.gz HSCOREGUSVLFMC-AGIUHOORSA-N 2 1 265.357 -0.925 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047626853 801915444 /nfs/dbraw/zinc/91/54/44/801915444.db2.gz HSCOREGUSVLFMC-AGIUHOORSA-N 2 1 265.357 -0.925 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047626853 801915451 /nfs/dbraw/zinc/91/54/51/801915451.db2.gz HSCOREGUSVLFMC-AGIUHOORSA-N 2 1 265.357 -0.925 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047626853 801915457 /nfs/dbraw/zinc/91/54/57/801915457.db2.gz HSCOREGUSVLFMC-AGIUHOORSA-N 2 1 265.357 -0.925 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC)C1 ZINC001051660051 802156981 /nfs/dbraw/zinc/15/69/81/802156981.db2.gz JSLUHQKUBYFCAD-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC)C1 ZINC001051660051 802156984 /nfs/dbraw/zinc/15/69/84/802156984.db2.gz JSLUHQKUBYFCAD-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148570344 814949611 /nfs/dbraw/zinc/94/96/11/814949611.db2.gz BCIJXBDZDBATDK-UHFFFAOYSA-N 2 1 282.388 -0.827 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H](C)O ZINC001322548485 803908514 /nfs/dbraw/zinc/90/85/14/803908514.db2.gz BZCGFVPNPIYZFP-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H](C)O ZINC001322548485 803908522 /nfs/dbraw/zinc/90/85/22/803908522.db2.gz BZCGFVPNPIYZFP-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001323111995 803978526 /nfs/dbraw/zinc/97/85/26/803978526.db2.gz FDSXYCYLJFQDSV-KBPBESRZSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001323111995 803978534 /nfs/dbraw/zinc/97/85/34/803978534.db2.gz FDSXYCYLJFQDSV-KBPBESRZSA-N 2 1 279.384 -0.175 20 30 CBEDMP C=CCC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325299197 804273254 /nfs/dbraw/zinc/27/32/54/804273254.db2.gz VWHKBJKSUWIQEG-UHFFFAOYSA-N 2 1 279.384 -0.179 20 30 CBEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578215 805313955 /nfs/dbraw/zinc/31/39/55/805313955.db2.gz IEKLCQMWNSULRE-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578215 805313964 /nfs/dbraw/zinc/31/39/64/805313964.db2.gz IEKLCQMWNSULRE-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578215 805313974 /nfs/dbraw/zinc/31/39/74/805313974.db2.gz IEKLCQMWNSULRE-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578215 805313983 /nfs/dbraw/zinc/31/39/83/805313983.db2.gz IEKLCQMWNSULRE-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155821866 815314117 /nfs/dbraw/zinc/31/41/17/815314117.db2.gz DKSXVTFQTZJLTM-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001086109769 810242915 /nfs/dbraw/zinc/24/29/15/810242915.db2.gz DEZKUNIMGMWUHD-XQLPTFJDSA-N 2 1 293.411 -0.051 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001086109769 810242918 /nfs/dbraw/zinc/24/29/18/810242918.db2.gz DEZKUNIMGMWUHD-XQLPTFJDSA-N 2 1 293.411 -0.051 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086371715 810265946 /nfs/dbraw/zinc/26/59/46/810265946.db2.gz UJKAAGQGXCXHER-AJNGGQMLSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433061 810498214 /nfs/dbraw/zinc/49/82/14/810498214.db2.gz ODWDCDFEYINZAU-KGLIPLIRSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433061 810498216 /nfs/dbraw/zinc/49/82/16/810498216.db2.gz ODWDCDFEYINZAU-KGLIPLIRSA-N 2 1 290.367 -0.234 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537789 810519507 /nfs/dbraw/zinc/51/95/07/810519507.db2.gz NZIZTEDBTOQFRR-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872142 810956858 /nfs/dbraw/zinc/95/68/58/810956858.db2.gz PJQIZECJBJZTNL-QWHCGFSZSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872142 810956863 /nfs/dbraw/zinc/95/68/63/810956863.db2.gz PJQIZECJBJZTNL-QWHCGFSZSA-N 2 1 279.384 -0.345 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986162 810984807 /nfs/dbraw/zinc/98/48/07/810984807.db2.gz IISNXLLSZJFUDG-UONOGXRCSA-N 2 1 297.399 -0.861 20 30 CBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986162 810984811 /nfs/dbraw/zinc/98/48/11/810984811.db2.gz IISNXLLSZJFUDG-UONOGXRCSA-N 2 1 297.399 -0.861 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989513 810986230 /nfs/dbraw/zinc/98/62/30/810986230.db2.gz RRYHLOWBMFBILB-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037110 810999080 /nfs/dbraw/zinc/99/90/80/810999080.db2.gz UCTAOCHPZCHEGO-UONOGXRCSA-N 2 1 297.399 -0.554 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037110 810999084 /nfs/dbraw/zinc/99/90/84/810999084.db2.gz UCTAOCHPZCHEGO-UONOGXRCSA-N 2 1 297.399 -0.554 20 30 CBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041403 811000964 /nfs/dbraw/zinc/00/09/64/811000964.db2.gz IZDIDAQVTQXUIV-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041401 811001790 /nfs/dbraw/zinc/00/17/90/811001790.db2.gz IZDIDAQVTQXUIV-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100049118 811003290 /nfs/dbraw/zinc/00/32/90/811003290.db2.gz XNXADYGZHANUQC-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100049118 811003296 /nfs/dbraw/zinc/00/32/96/811003296.db2.gz XNXADYGZHANUQC-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083092 811018695 /nfs/dbraw/zinc/01/86/95/811018695.db2.gz NAPMKWUOGKXVHQ-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100083092 811018699 /nfs/dbraw/zinc/01/86/99/811018699.db2.gz NAPMKWUOGKXVHQ-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083092 811018702 /nfs/dbraw/zinc/01/87/02/811018702.db2.gz NAPMKWUOGKXVHQ-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083092 811018706 /nfs/dbraw/zinc/01/87/06/811018706.db2.gz NAPMKWUOGKXVHQ-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100211983 811038573 /nfs/dbraw/zinc/03/85/73/811038573.db2.gz JJHXGMZHVQVKQO-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100211983 811038579 /nfs/dbraw/zinc/03/85/79/811038579.db2.gz JJHXGMZHVQVKQO-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105978272 811283040 /nfs/dbraw/zinc/28/30/40/811283040.db2.gz GRDYTDHHQJAASU-MGPQQGTHSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105978272 811283029 /nfs/dbraw/zinc/28/30/29/811283029.db2.gz GRDYTDHHQJAASU-MGPQQGTHSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106266607 811304363 /nfs/dbraw/zinc/30/43/63/811304363.db2.gz SRRCMBPBCHZFEM-KFWWJZLASA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106266607 811304372 /nfs/dbraw/zinc/30/43/72/811304372.db2.gz SRRCMBPBCHZFEM-KFWWJZLASA-N 2 1 293.411 -0.240 20 30 CBEDMP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC001118200857 812493738 /nfs/dbraw/zinc/49/37/38/812493738.db2.gz DVLCVEGHYSKMQJ-NKWVEPMBSA-N 2 1 251.315 -0.557 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159876986 815602794 /nfs/dbraw/zinc/60/27/94/815602794.db2.gz LZZWHZWOGXNSFD-AWEZNQCLSA-N 2 1 291.399 -0.068 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660339 813741958 /nfs/dbraw/zinc/74/19/58/813741958.db2.gz WOWRVNDLXTYVFJ-YNEHKIRRSA-N 2 1 296.415 -0.277 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778465 813747015 /nfs/dbraw/zinc/74/70/15/813747015.db2.gz FQPBYENWZLARBF-NWDGAFQWSA-N 2 1 253.346 -0.259 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779277 813748567 /nfs/dbraw/zinc/74/85/67/813748567.db2.gz KPIJFPKLONUYFB-NWDGAFQWSA-N 2 1 251.330 -0.811 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535500 813849341 /nfs/dbraw/zinc/84/93/41/813849341.db2.gz VHJBNQISVSUOLC-GFCCVEGCSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001129771095 813864582 /nfs/dbraw/zinc/86/45/82/813864582.db2.gz QQWGOBDMTKRHPJ-AWEZNQCLSA-N 2 1 289.383 -0.314 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001129771095 813864590 /nfs/dbraw/zinc/86/45/90/813864590.db2.gz QQWGOBDMTKRHPJ-AWEZNQCLSA-N 2 1 289.383 -0.314 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001129775089 813864965 /nfs/dbraw/zinc/86/49/65/813864965.db2.gz IAOFNPDYCLSABY-AWEZNQCLSA-N 2 1 289.383 -0.277 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cncn1C ZINC001129775089 813864975 /nfs/dbraw/zinc/86/49/75/813864975.db2.gz IAOFNPDYCLSABY-AWEZNQCLSA-N 2 1 289.383 -0.277 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848301 814192632 /nfs/dbraw/zinc/19/26/32/814192632.db2.gz DLYNYTBZHPOUNT-AWEZNQCLSA-N 2 1 297.399 -0.549 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133831014 814302605 /nfs/dbraw/zinc/30/26/05/814302605.db2.gz GNMDZTIAAYGWOV-GFCCVEGCSA-N 2 1 282.388 -0.521 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849627 814306816 /nfs/dbraw/zinc/30/68/16/814306816.db2.gz AYVHZEMGEYJXRX-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849629 814308101 /nfs/dbraw/zinc/30/81/01/814308101.db2.gz AYVHZEMGEYJXRX-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849620 814309285 /nfs/dbraw/zinc/30/92/85/814309285.db2.gz AQCSTRJQVWHVEF-STQMWFEESA-N 2 1 296.415 -0.275 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869123 814313421 /nfs/dbraw/zinc/31/34/21/814313421.db2.gz BIDGCDRCJRMJEJ-QWHCGFSZSA-N 2 1 267.373 -0.460 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352473 814469123 /nfs/dbraw/zinc/46/91/23/814469123.db2.gz FKJQADFHWUPIQR-UHFFFAOYSA-N 2 1 285.388 -0.383 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147876950 814921169 /nfs/dbraw/zinc/92/11/69/814921169.db2.gz AELUGJOJNVFQQY-GFCCVEGCSA-N 2 1 282.388 -0.664 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851054 815680493 /nfs/dbraw/zinc/68/04/93/815680493.db2.gz OHOASLAAIBJSMT-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851054 815680500 /nfs/dbraw/zinc/68/05/00/815680500.db2.gz OHOASLAAIBJSMT-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161251309 815734042 /nfs/dbraw/zinc/73/40/42/815734042.db2.gz NNGPJTRVPCJRIE-UHFFFAOYSA-N 2 1 297.403 -0.548 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986184 816917473 /nfs/dbraw/zinc/91/74/73/816917473.db2.gz LCODCSDMKNYERT-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986184 816917475 /nfs/dbraw/zinc/91/74/75/816917475.db2.gz LCODCSDMKNYERT-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317067744 816927045 /nfs/dbraw/zinc/92/70/45/816927045.db2.gz ACBSVPSPDHMOFT-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317067744 816927046 /nfs/dbraw/zinc/92/70/46/816927046.db2.gz ACBSVPSPDHMOFT-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317281593 816957116 /nfs/dbraw/zinc/95/71/16/816957116.db2.gz DSDJVSSYYDDUJZ-OLZOCXBDSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317317469 816964138 /nfs/dbraw/zinc/96/41/38/816964138.db2.gz MNJRWOYPUHEAKR-QWHCGFSZSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317317469 816964141 /nfs/dbraw/zinc/96/41/41/816964141.db2.gz MNJRWOYPUHEAKR-QWHCGFSZSA-N 2 1 267.373 -0.059 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320315552 817320880 /nfs/dbraw/zinc/32/08/80/817320880.db2.gz JAEGIKNUOAFVIA-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320921630 817410692 /nfs/dbraw/zinc/41/06/92/817410692.db2.gz OFERAIWGUDIPAZ-GFCCVEGCSA-N 2 1 295.387 -0.984 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001165545640 819972740 /nfs/dbraw/zinc/97/27/40/819972740.db2.gz MJXHLMVIRKEYME-AWEZNQCLSA-N 2 1 293.411 -0.048 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001165545640 819972744 /nfs/dbraw/zinc/97/27/44/819972744.db2.gz MJXHLMVIRKEYME-AWEZNQCLSA-N 2 1 293.411 -0.048 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166633143 820009259 /nfs/dbraw/zinc/00/92/59/820009259.db2.gz AHOYHNQZOCVXDB-ZDUSSCGKSA-N 2 1 296.415 -0.131 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626252 820009302 /nfs/dbraw/zinc/00/93/02/820009302.db2.gz CQPXHKFSIQJZNY-ZDUSSCGKSA-N 2 1 294.399 -0.684 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166714159 820018581 /nfs/dbraw/zinc/01/85/81/820018581.db2.gz HCYALXDLVYSJPV-KBPBESRZSA-N 2 1 281.400 -0.070 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168424050 820162612 /nfs/dbraw/zinc/16/26/12/820162612.db2.gz GBXWZDTVNIGASP-UHFFFAOYSA-N 2 1 267.373 -0.172 20 30 CBEDMP C=CC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168441545 820162842 /nfs/dbraw/zinc/16/28/42/820162842.db2.gz FMYUBACQPPJNGM-UHFFFAOYSA-N 2 1 255.362 -0.009 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170221573 820282085 /nfs/dbraw/zinc/28/20/85/820282085.db2.gz DWXFERPTZUPNFV-CYBMUJFWSA-N 2 1 296.415 -0.438 20 30 CBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001176644520 820454916 /nfs/dbraw/zinc/45/49/16/820454916.db2.gz UQGIWNRGIOZRJI-CQSZACIVSA-N 2 1 297.399 -0.547 20 30 CBEDMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001176644520 820454920 /nfs/dbraw/zinc/45/49/20/820454920.db2.gz UQGIWNRGIOZRJI-CQSZACIVSA-N 2 1 297.399 -0.547 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176981046 820485588 /nfs/dbraw/zinc/48/55/88/820485588.db2.gz YPWBZMLVHCZMLE-UHFFFAOYSA-N 2 1 284.404 -0.275 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817870 822298300 /nfs/dbraw/zinc/29/83/00/822298300.db2.gz KRORVEZSPNVMHX-CHWSQXEVSA-N 2 1 294.399 -0.569 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187981899 822313821 /nfs/dbraw/zinc/31/38/21/822313821.db2.gz CPPQVUQLXJRPCW-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187981899 822313831 /nfs/dbraw/zinc/31/38/31/822313831.db2.gz CPPQVUQLXJRPCW-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282366407 828442297 /nfs/dbraw/zinc/44/22/97/828442297.db2.gz JYEDRBJAPKUESJ-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282366407 828442302 /nfs/dbraw/zinc/44/23/02/828442302.db2.gz JYEDRBJAPKUESJ-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001282366407 828442306 /nfs/dbraw/zinc/44/23/06/828442306.db2.gz JYEDRBJAPKUESJ-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001282366407 828442310 /nfs/dbraw/zinc/44/23/10/828442310.db2.gz JYEDRBJAPKUESJ-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)NCC#N ZINC001282494883 828448598 /nfs/dbraw/zinc/44/85/98/828448598.db2.gz CJPUIPQAXWBHBR-GFCCVEGCSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC(=O)NCC#N ZINC001282494883 828448601 /nfs/dbraw/zinc/44/86/01/828448601.db2.gz CJPUIPQAXWBHBR-GFCCVEGCSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC#N ZINC001282494883 828448604 /nfs/dbraw/zinc/44/86/04/828448604.db2.gz CJPUIPQAXWBHBR-GFCCVEGCSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC#N ZINC001282494883 828448606 /nfs/dbraw/zinc/44/86/06/828448606.db2.gz CJPUIPQAXWBHBR-GFCCVEGCSA-N 2 1 297.403 -0.597 20 30 CBEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001283715279 828535825 /nfs/dbraw/zinc/53/58/25/828535825.db2.gz TWXHTYHQKIDJAF-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001283715279 828535829 /nfs/dbraw/zinc/53/58/29/828535829.db2.gz TWXHTYHQKIDJAF-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283827747 828554792 /nfs/dbraw/zinc/55/47/92/828554792.db2.gz REJMHFAWQIYMMI-OLZOCXBDSA-N 2 1 269.389 -0.029 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC ZINC001284416482 828593023 /nfs/dbraw/zinc/59/30/23/828593023.db2.gz NRSDFIBNNCLSGZ-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC ZINC001284416482 828593026 /nfs/dbraw/zinc/59/30/26/828593026.db2.gz NRSDFIBNNCLSGZ-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193447576 824028874 /nfs/dbraw/zinc/02/88/74/824028874.db2.gz SGDNDJHVJYEBFT-MGPQQGTHSA-N 2 1 299.390 -0.149 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193757324 824045319 /nfs/dbraw/zinc/04/53/19/824045319.db2.gz ZDRJMBJECNWFOM-JHJVBQTASA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193757324 824045322 /nfs/dbraw/zinc/04/53/22/824045322.db2.gz ZDRJMBJECNWFOM-JHJVBQTASA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193953333 824053423 /nfs/dbraw/zinc/05/34/23/824053423.db2.gz JWYFQMFFABQJBZ-UPJWGTAASA-N 2 1 269.389 -0.080 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193953333 824053425 /nfs/dbraw/zinc/05/34/25/824053425.db2.gz JWYFQMFFABQJBZ-UPJWGTAASA-N 2 1 269.389 -0.080 20 30 CBEDMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001284751498 828622275 /nfs/dbraw/zinc/62/22/75/828622275.db2.gz QQCFBSWTYQGARZ-RUXDESIVSA-N 2 1 279.384 -0.081 20 30 CBEDMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001284751498 828622277 /nfs/dbraw/zinc/62/22/77/828622277.db2.gz QQCFBSWTYQGARZ-RUXDESIVSA-N 2 1 279.384 -0.081 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111811 824249787 /nfs/dbraw/zinc/24/97/87/824249787.db2.gz NHAILDMFEACRGV-ZIAGYGMSSA-N 2 1 299.415 -0.310 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111811 824249793 /nfs/dbraw/zinc/24/97/93/824249793.db2.gz NHAILDMFEACRGV-ZIAGYGMSSA-N 2 1 299.415 -0.310 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111811 824249797 /nfs/dbraw/zinc/24/97/97/824249797.db2.gz NHAILDMFEACRGV-ZIAGYGMSSA-N 2 1 299.415 -0.310 20 30 CBEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199942993 824297199 /nfs/dbraw/zinc/29/71/99/824297199.db2.gz DEUPSEZLBVAOSW-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942993 824297205 /nfs/dbraw/zinc/29/72/05/824297205.db2.gz DEUPSEZLBVAOSW-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057236 824341266 /nfs/dbraw/zinc/34/12/66/824341266.db2.gz FUHCLOYZYYVFCX-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346354 824510960 /nfs/dbraw/zinc/51/09/60/824510960.db2.gz JMVMRJKBLNBODH-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346354 824510963 /nfs/dbraw/zinc/51/09/63/824510963.db2.gz JMVMRJKBLNBODH-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804538 824895489 /nfs/dbraw/zinc/89/54/89/824895489.db2.gz ZDRJMBJECNWFOM-AGIUHOORSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804538 824895494 /nfs/dbraw/zinc/89/54/94/824895494.db2.gz ZDRJMBJECNWFOM-AGIUHOORSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219875223 824905416 /nfs/dbraw/zinc/90/54/16/824905416.db2.gz UGGVGDFIPXIXJP-MCIONIFRSA-N 2 1 299.415 -0.310 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230903 824991373 /nfs/dbraw/zinc/99/13/73/824991373.db2.gz TZNSOBIGXRSPQU-OLZOCXBDSA-N 2 1 279.384 -0.487 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229107 824991708 /nfs/dbraw/zinc/99/17/08/824991708.db2.gz NGUHPSPVJYNUAS-NEPJUHHUSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229107 824991711 /nfs/dbraw/zinc/99/17/11/824991711.db2.gz NGUHPSPVJYNUAS-NEPJUHHUSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276967 825003378 /nfs/dbraw/zinc/00/33/78/825003378.db2.gz PIEWLCXWUFJCDM-OLZOCXBDSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582762 825070290 /nfs/dbraw/zinc/07/02/90/825070290.db2.gz CPMVUCUXGZSHAC-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764225 825098777 /nfs/dbraw/zinc/09/87/77/825098777.db2.gz DBAPXUZSVKQANY-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220868451 825115952 /nfs/dbraw/zinc/11/59/52/825115952.db2.gz KIRWGNTZYVFTQZ-SRVKXCTJSA-N 2 1 253.346 -0.667 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220868608 825117028 /nfs/dbraw/zinc/11/70/28/825117028.db2.gz LWXHIALNLVVVOS-RYUDHWBXSA-N 2 1 252.362 -0.686 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220868723 825117264 /nfs/dbraw/zinc/11/72/64/825117264.db2.gz QKUJMEIQTCXCKD-SRVKXCTJSA-N 2 1 252.362 -0.700 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220868718 825117297 /nfs/dbraw/zinc/11/72/97/825117297.db2.gz PYXFETHLWQAZFJ-QJPTWQEYSA-N 2 1 253.346 -0.524 20 30 CBEDMP N#Cc1cnc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)s1 ZINC001220872294 825118257 /nfs/dbraw/zinc/11/82/57/825118257.db2.gz SHDCKRXHHKGEPC-UHFFFAOYSA-N 2 1 279.369 -0.027 20 30 CBEDMP N#CC1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CCOCC1 ZINC001220966801 825129747 /nfs/dbraw/zinc/12/97/47/825129747.db2.gz GQVBDZZVKWDKAZ-UHFFFAOYSA-N 2 1 266.345 -0.483 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089701 825142713 /nfs/dbraw/zinc/14/27/13/825142713.db2.gz NHAILDMFEACRGV-KGLIPLIRSA-N 2 1 299.415 -0.310 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089701 825142715 /nfs/dbraw/zinc/14/27/15/825142715.db2.gz NHAILDMFEACRGV-KGLIPLIRSA-N 2 1 299.415 -0.310 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089701 825142717 /nfs/dbraw/zinc/14/27/17/825142717.db2.gz NHAILDMFEACRGV-KGLIPLIRSA-N 2 1 299.415 -0.310 20 30 CBEDMP C=CCOC(=O)N1CCC(CNC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001221298345 825168216 /nfs/dbraw/zinc/16/82/16/825168216.db2.gz LMWBCQALKJOQFC-LBPRGKRZSA-N 2 1 298.387 -0.187 20 30 CBEDMP C#CCOC[C@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245989101 825617572 /nfs/dbraw/zinc/61/75/72/825617572.db2.gz XVRLYZSCKMXQEM-UONOGXRCSA-N 2 1 281.400 -0.539 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)C(=O)OC ZINC001245999751 825619876 /nfs/dbraw/zinc/61/98/76/825619876.db2.gz JSIGZYCEMZVQLK-WDEREUQCSA-N 2 1 288.344 -0.663 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246019780 825622610 /nfs/dbraw/zinc/62/26/10/825622610.db2.gz HUXFUCHHYMHMEX-QWRGUYRKSA-N 2 1 262.300 -0.087 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246019780 825622614 /nfs/dbraw/zinc/62/26/14/825622614.db2.gz HUXFUCHHYMHMEX-QWRGUYRKSA-N 2 1 262.300 -0.087 20 30 CBEDMP C=CCC[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246053408 825630634 /nfs/dbraw/zinc/63/06/34/825630634.db2.gz HRNQHCILJVELSU-CQSZACIVSA-N 2 1 270.421 -0.602 20 30 CBEDMP N#C[C@@H]1C[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246554475 825684928 /nfs/dbraw/zinc/68/49/28/825684928.db2.gz VGIMOPJCDWQFMO-YNEHKIRRSA-N 2 1 252.362 -0.194 20 30 CBEDMP N#C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246555039 825685078 /nfs/dbraw/zinc/68/50/78/825685078.db2.gz ARFGNMCIUOKEGP-YNEHKIRRSA-N 2 1 252.362 -0.194 20 30 CBEDMP C#CCOC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001251840754 825794234 /nfs/dbraw/zinc/79/42/34/825794234.db2.gz UTDUFIMTBNMBQE-RDBSUJKOSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001251840754 825794237 /nfs/dbraw/zinc/79/42/37/825794237.db2.gz UTDUFIMTBNMBQE-RDBSUJKOSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001251840754 825794239 /nfs/dbraw/zinc/79/42/39/825794239.db2.gz UTDUFIMTBNMBQE-RDBSUJKOSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001251857708 825798782 /nfs/dbraw/zinc/79/87/82/825798782.db2.gz ISZZLAWSNMCWFI-ZIAGYGMSSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001251857708 825798787 /nfs/dbraw/zinc/79/87/87/825798787.db2.gz ISZZLAWSNMCWFI-ZIAGYGMSSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001251861044 825799196 /nfs/dbraw/zinc/79/91/96/825799196.db2.gz ZEIKTMAWJYKNCX-MJBXVCDLSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001251861044 825799187 /nfs/dbraw/zinc/79/91/87/825799187.db2.gz ZEIKTMAWJYKNCX-MJBXVCDLSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001251861044 825799190 /nfs/dbraw/zinc/79/91/90/825799190.db2.gz ZEIKTMAWJYKNCX-MJBXVCDLSA-N 2 1 252.358 -0.119 20 30 CBEDMP C=CCOC[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252470365 825869972 /nfs/dbraw/zinc/86/99/72/825869972.db2.gz KFWJOXPZDNWNIL-AWEZNQCLSA-N 2 1 299.415 -0.354 20 30 CBEDMP C=C[C@@](C)(O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252576071 825876791 /nfs/dbraw/zinc/87/67/91/825876791.db2.gz IECVJPSUJMXCFO-CYBMUJFWSA-N 2 1 255.362 -0.323 20 30 CBEDMP N#C[C@@H]1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001254637651 825967338 /nfs/dbraw/zinc/96/73/38/825967338.db2.gz SZPFHMQIAGSMSE-OLZOCXBDSA-N 2 1 255.362 -0.055 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001265264459 826865904 /nfs/dbraw/zinc/86/59/04/826865904.db2.gz QJIHSAREAHAQRH-HNNXBMFYSA-N 2 1 292.427 -0.305 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001265264459 826865915 /nfs/dbraw/zinc/86/59/15/826865915.db2.gz QJIHSAREAHAQRH-HNNXBMFYSA-N 2 1 292.427 -0.305 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265424106 826889551 /nfs/dbraw/zinc/88/95/51/826889551.db2.gz IMNDVSXEBFRHLR-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265424106 826889560 /nfs/dbraw/zinc/88/95/60/826889560.db2.gz IMNDVSXEBFRHLR-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001265986291 826944635 /nfs/dbraw/zinc/94/46/35/826944635.db2.gz BSHRAOKAKBFIQD-OLZOCXBDSA-N 2 1 292.383 -0.993 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001265986291 826944641 /nfs/dbraw/zinc/94/46/41/826944641.db2.gz BSHRAOKAKBFIQD-OLZOCXBDSA-N 2 1 292.383 -0.993 20 30 CBEDMP C#CCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266360051 826991644 /nfs/dbraw/zinc/99/16/44/826991644.db2.gz PFDZLGOQJZJWQK-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266360051 826991652 /nfs/dbraw/zinc/99/16/52/826991652.db2.gz PFDZLGOQJZJWQK-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266360051 826991658 /nfs/dbraw/zinc/99/16/58/826991658.db2.gz PFDZLGOQJZJWQK-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266360051 826991665 /nfs/dbraw/zinc/99/16/65/826991665.db2.gz PFDZLGOQJZJWQK-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266744002 827059637 /nfs/dbraw/zinc/05/96/37/827059637.db2.gz NDLKEZVTPJVAAN-ZDUSSCGKSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266963289 827098189 /nfs/dbraw/zinc/09/81/89/827098189.db2.gz CPYRJIRHTHLXSR-OLZOCXBDSA-N 2 1 296.415 -0.133 20 30 CBEDMP COCC#CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001267698777 827200454 /nfs/dbraw/zinc/20/04/54/827200454.db2.gz HFWCBFUWXRAKPY-UHFFFAOYSA-N 2 1 279.384 -0.220 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001267798333 827222041 /nfs/dbraw/zinc/22/20/41/827222041.db2.gz FYQXOTDGRRJRHV-CHWSQXEVSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267798334 827222978 /nfs/dbraw/zinc/22/29/78/827222978.db2.gz FYQXOTDGRRJRHV-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267798336 827223297 /nfs/dbraw/zinc/22/32/97/827223297.db2.gz FYQXOTDGRRJRHV-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001268307159 827290234 /nfs/dbraw/zinc/29/02/34/827290234.db2.gz DUKGZJBKUFSCQP-RYUDHWBXSA-N 2 1 271.336 -0.880 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001268307159 827290238 /nfs/dbraw/zinc/29/02/38/827290238.db2.gz DUKGZJBKUFSCQP-RYUDHWBXSA-N 2 1 271.336 -0.880 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268314814 827294723 /nfs/dbraw/zinc/29/47/23/827294723.db2.gz LSHVPXWUUCXUFH-VXGBXAGGSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCO ZINC001268375291 827318152 /nfs/dbraw/zinc/31/81/52/827318152.db2.gz UCUILXCWKIOYSH-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCO ZINC001268375291 827318162 /nfs/dbraw/zinc/31/81/62/827318162.db2.gz UCUILXCWKIOYSH-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001268648702 827390430 /nfs/dbraw/zinc/39/04/30/827390430.db2.gz SRROTCRKQNGGHI-CABCVRRESA-N 2 1 291.395 -0.172 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001268648702 827390435 /nfs/dbraw/zinc/39/04/35/827390435.db2.gz SRROTCRKQNGGHI-CABCVRRESA-N 2 1 291.395 -0.172 20 30 CBEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268784540 827421147 /nfs/dbraw/zinc/42/11/47/827421147.db2.gz XDWZRJJAZPPBBZ-LBPRGKRZSA-N 2 1 295.387 -0.842 20 30 CBEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001269384913 827502040 /nfs/dbraw/zinc/50/20/40/827502040.db2.gz XSPMPMMDSHFHEH-NEPJUHHUSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001269384913 827502044 /nfs/dbraw/zinc/50/20/44/827502044.db2.gz XSPMPMMDSHFHEH-NEPJUHHUSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCO ZINC001270426632 827567159 /nfs/dbraw/zinc/56/71/59/827567159.db2.gz BEATVEOPWVVZHU-STQMWFEESA-N 2 1 267.373 -0.582 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCO ZINC001270426632 827567167 /nfs/dbraw/zinc/56/71/67/827567167.db2.gz BEATVEOPWVVZHU-STQMWFEESA-N 2 1 267.373 -0.582 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001270594753 827581062 /nfs/dbraw/zinc/58/10/62/827581062.db2.gz JKWYELJBMHRJKC-OLZOCXBDSA-N 2 1 294.399 -0.971 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001270594755 827581845 /nfs/dbraw/zinc/58/18/45/827581845.db2.gz JKWYELJBMHRJKC-QWHCGFSZSA-N 2 1 294.399 -0.971 20 30 CBEDMP C#CCCN1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271387843 827697866 /nfs/dbraw/zinc/69/78/66/827697866.db2.gz GRNWODNKHZDZAC-LBPRGKRZSA-N 2 1 265.357 -0.876 20 30 CBEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001272585604 827826772 /nfs/dbraw/zinc/82/67/72/827826772.db2.gz WSAOTKZHQJJCPT-ZIAGYGMSSA-N 2 1 299.415 -0.260 20 30 CBEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001272585604 827826784 /nfs/dbraw/zinc/82/67/84/827826784.db2.gz WSAOTKZHQJJCPT-ZIAGYGMSSA-N 2 1 299.415 -0.260 20 30 CBEDMP C#CCN1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272888166 827848755 /nfs/dbraw/zinc/84/87/55/827848755.db2.gz PZJWMLOYSZYNCS-UHFFFAOYSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030886 827857590 /nfs/dbraw/zinc/85/75/90/827857590.db2.gz QPKXYMJFIUFEKM-INIZCTEOSA-N 2 1 291.395 -0.078 20 30 CBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001273244375 827876236 /nfs/dbraw/zinc/87/62/36/827876236.db2.gz PZBQWKOQVNNQPT-ZIAGYGMSSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001274942280 828044432 /nfs/dbraw/zinc/04/44/32/828044432.db2.gz WDHSEHMFRWXFAO-AWEZNQCLSA-N 2 1 293.411 -0.096 20 30 CBEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001275800799 828116271 /nfs/dbraw/zinc/11/62/71/828116271.db2.gz LFSAETMGXWHXBF-KBPBESRZSA-N 2 1 297.399 -0.597 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001275919752 828123308 /nfs/dbraw/zinc/12/33/08/828123308.db2.gz FWFFSTYICGMNBZ-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001275919752 828123312 /nfs/dbraw/zinc/12/33/12/828123312.db2.gz FWFFSTYICGMNBZ-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001277027659 828173491 /nfs/dbraw/zinc/17/34/91/828173491.db2.gz FKHPLQVNDCXSMO-NSHDSACASA-N 2 1 251.330 -0.811 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001277027659 828173494 /nfs/dbraw/zinc/17/34/94/828173494.db2.gz FKHPLQVNDCXSMO-NSHDSACASA-N 2 1 251.330 -0.811 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]C(C)C ZINC001278094305 828244974 /nfs/dbraw/zinc/24/49/74/828244974.db2.gz VUUVXWHEMWGXMZ-OLZOCXBDSA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]C(C)C ZINC001278094305 828244982 /nfs/dbraw/zinc/24/49/82/828244982.db2.gz VUUVXWHEMWGXMZ-OLZOCXBDSA-N 2 1 267.373 -0.441 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278106002 828247709 /nfs/dbraw/zinc/24/77/09/828247709.db2.gz RASLWZFYKBPUMW-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001278106002 828247712 /nfs/dbraw/zinc/24/77/12/828247712.db2.gz RASLWZFYKBPUMW-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278826227 828293506 /nfs/dbraw/zinc/29/35/06/828293506.db2.gz BAZCFUATIPIMPM-QWHCGFSZSA-N 2 1 267.373 -0.630 20 30 CBEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001279490600 828326402 /nfs/dbraw/zinc/32/64/02/828326402.db2.gz NTWGMSULTPPMLW-UKRRQHHQSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001279490600 828326407 /nfs/dbraw/zinc/32/64/07/828326407.db2.gz NTWGMSULTPPMLW-UKRRQHHQSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509808 828326732 /nfs/dbraw/zinc/32/67/32/828326732.db2.gz NRSSZLMKBOYEFM-AWEZNQCLSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509808 828326736 /nfs/dbraw/zinc/32/67/36/828326736.db2.gz NRSSZLMKBOYEFM-AWEZNQCLSA-N 2 1 267.373 -0.486 20 30 CBEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001279531168 828330373 /nfs/dbraw/zinc/33/03/73/828330373.db2.gz ZHESSTWNELRBLP-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001279531168 828330382 /nfs/dbraw/zinc/33/03/82/828330382.db2.gz ZHESSTWNELRBLP-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001279531168 828330391 /nfs/dbraw/zinc/33/03/91/828330391.db2.gz ZHESSTWNELRBLP-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001279531168 828330401 /nfs/dbraw/zinc/33/04/01/828330401.db2.gz ZHESSTWNELRBLP-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378625 884777878 /nfs/dbraw/zinc/77/78/78/884777878.db2.gz ZLNPNYQWTANNIE-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cnc[nH]1 ZINC001128972979 884669442 /nfs/dbraw/zinc/66/94/42/884669442.db2.gz PVRFTUFNPPYXCB-NSHDSACASA-N 2 1 291.355 -0.814 20 30 CBEDMP C=CCN(CC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)C(=O)OCC ZINC001206464473 884758377 /nfs/dbraw/zinc/75/83/77/884758377.db2.gz OWGNIOBLOBKEOL-NWDGAFQWSA-N 2 1 271.361 -0.118 20 30 CBEDMP C=CCN(CC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)C(=O)OCC ZINC001206464473 884758388 /nfs/dbraw/zinc/75/83/88/884758388.db2.gz OWGNIOBLOBKEOL-NWDGAFQWSA-N 2 1 271.361 -0.118 20 30 CBEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001326020757 884876280 /nfs/dbraw/zinc/87/62/80/884876280.db2.gz CDQBALKKLNUGOU-CHWSQXEVSA-N 2 1 269.389 -0.077 20 30 CBEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001326149547 884924466 /nfs/dbraw/zinc/92/44/66/884924466.db2.gz YAOSXQUZTCEEHI-CYBMUJFWSA-N 2 1 269.389 -0.075 20 30 CBEDMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001326584778 885078729 /nfs/dbraw/zinc/07/87/29/885078729.db2.gz YQUDQNBVTSVYRL-NEPJUHHUSA-N 2 1 290.371 -0.086 20 30 CBEDMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001329592470 886134785 /nfs/dbraw/zinc/13/47/85/886134785.db2.gz PSZQACPDWOZXHV-VXGBXAGGSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001329592470 886134795 /nfs/dbraw/zinc/13/47/95/886134795.db2.gz PSZQACPDWOZXHV-VXGBXAGGSA-N 2 1 297.403 -0.597 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001332491245 887318920 /nfs/dbraw/zinc/31/89/20/887318920.db2.gz SCSNWKRGNKPFIM-RYUDHWBXSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332491244 887319619 /nfs/dbraw/zinc/31/96/19/887319619.db2.gz SCSNWKRGNKPFIM-NWDGAFQWSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC#C ZINC001332631802 887384454 /nfs/dbraw/zinc/38/44/54/887384454.db2.gz KPRKZBWPUWYGRV-GJZGRUSLSA-N 2 1 291.395 -0.532 20 30 CBEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001332631802 887384461 /nfs/dbraw/zinc/38/44/61/887384461.db2.gz KPRKZBWPUWYGRV-GJZGRUSLSA-N 2 1 291.395 -0.532 20 30 CBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001332631802 887384472 /nfs/dbraw/zinc/38/44/72/887384472.db2.gz KPRKZBWPUWYGRV-GJZGRUSLSA-N 2 1 291.395 -0.532 20 30 CBEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001332631802 887384495 /nfs/dbraw/zinc/38/44/95/887384495.db2.gz KPRKZBWPUWYGRV-GJZGRUSLSA-N 2 1 291.395 -0.532 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336893876 888909942 /nfs/dbraw/zinc/90/99/42/888909942.db2.gz LHSISTIUFBMZCE-UHFFFAOYSA-N 2 1 281.404 -0.854 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001337291198 888986916 /nfs/dbraw/zinc/98/69/16/888986916.db2.gz XKROQUXCXOVTKB-UHFFFAOYSA-N 2 1 281.400 -0.238 20 30 CBEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001346250236 890249402 /nfs/dbraw/zinc/24/94/02/890249402.db2.gz CISOYZHKVKNRQE-CVEARBPZSA-N 2 1 296.411 -0.034 20 30 CBEDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001346276762 890255027 /nfs/dbraw/zinc/25/50/27/890255027.db2.gz RNRBNVSXNSMIQO-AAEUAGOBSA-N 2 1 255.362 -0.057 20 30 CBEDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001346276762 890255037 /nfs/dbraw/zinc/25/50/37/890255037.db2.gz RNRBNVSXNSMIQO-AAEUAGOBSA-N 2 1 255.362 -0.057 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001346452967 890293471 /nfs/dbraw/zinc/29/34/71/890293471.db2.gz FBMFYUZFJWRLDG-HAQNSBGRSA-N 2 1 252.362 -0.022 20 30 CBEDMP C#CC[NH2+]CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001353536011 891443904 /nfs/dbraw/zinc/44/39/04/891443904.db2.gz XDTCYGHTXXDINC-UHFFFAOYSA-N 2 1 279.384 -0.030 20 30 CBEDMP C#CC[NH2+]CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001357600905 891916608 /nfs/dbraw/zinc/91/66/08/891916608.db2.gz UOPDEFJFEDKADS-UHFFFAOYSA-N 2 1 275.356 -0.272 20 30 CBEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001502773536 921391885 /nfs/dbraw/zinc/39/18/85/921391885.db2.gz CPNZPMJIFVBGAG-CYBMUJFWSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001502773536 921391897 /nfs/dbraw/zinc/39/18/97/921391897.db2.gz CPNZPMJIFVBGAG-CYBMUJFWSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507064447 921664944 /nfs/dbraw/zinc/66/49/44/921664944.db2.gz VNFCCVGPPQVKFA-STQMWFEESA-N 2 1 296.415 -0.181 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001507228910 921760520 /nfs/dbraw/zinc/76/05/20/921760520.db2.gz XSVYBJDCRJRREK-KBPBESRZSA-N 2 1 281.400 -0.192 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001471631221 915610447 /nfs/dbraw/zinc/61/04/47/915610447.db2.gz VKQMQNQHPYDQCB-OLZOCXBDSA-N 2 1 264.373 -0.103 20 30 CBEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001480907177 916624303 /nfs/dbraw/zinc/62/43/03/916624303.db2.gz AUHCEMYSXSUZRA-ZDUSSCGKSA-N 2 1 296.415 -0.227 20 30 CBEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CC[NH+](C)C)C1=O ZINC001480907177 916624320 /nfs/dbraw/zinc/62/43/20/916624320.db2.gz AUHCEMYSXSUZRA-ZDUSSCGKSA-N 2 1 296.415 -0.227 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480907222 916626393 /nfs/dbraw/zinc/62/63/93/916626393.db2.gz BDQGNYLVEJCFLI-LBPRGKRZSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480907222 916626401 /nfs/dbraw/zinc/62/64/01/916626401.db2.gz BDQGNYLVEJCFLI-LBPRGKRZSA-N 2 1 282.388 -0.876 20 30 CBEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482087310 917048201 /nfs/dbraw/zinc/04/82/01/917048201.db2.gz LHUFDJNNWHORNO-KBPBESRZSA-N 2 1 297.399 -0.691 20 30 CBEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482087310 917048210 /nfs/dbraw/zinc/04/82/10/917048210.db2.gz LHUFDJNNWHORNO-KBPBESRZSA-N 2 1 297.399 -0.691 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482087313 917049863 /nfs/dbraw/zinc/04/98/63/917049863.db2.gz LHUFDJNNWHORNO-ZIAGYGMSSA-N 2 1 297.399 -0.691 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482087313 917049872 /nfs/dbraw/zinc/04/98/72/917049872.db2.gz LHUFDJNNWHORNO-ZIAGYGMSSA-N 2 1 297.399 -0.691 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001483567371 917594227 /nfs/dbraw/zinc/59/42/27/917594227.db2.gz KBQUYPFMXUUGQM-STQMWFEESA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001483567371 917594239 /nfs/dbraw/zinc/59/42/39/917594239.db2.gz KBQUYPFMXUUGQM-STQMWFEESA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483935782 917708493 /nfs/dbraw/zinc/70/84/93/917708493.db2.gz YZTYHGZZQHKTGQ-STQMWFEESA-N 2 1 292.383 -0.850 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483935782 917708504 /nfs/dbraw/zinc/70/85/04/917708504.db2.gz YZTYHGZZQHKTGQ-STQMWFEESA-N 2 1 292.383 -0.850 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484208065 917763322 /nfs/dbraw/zinc/76/33/22/917763322.db2.gz LGPUPFFPXBIVQT-UKRRQHHQSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484208065 917763333 /nfs/dbraw/zinc/76/33/33/917763333.db2.gz LGPUPFFPXBIVQT-UKRRQHHQSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484208065 917763344 /nfs/dbraw/zinc/76/33/44/917763344.db2.gz LGPUPFFPXBIVQT-UKRRQHHQSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484238940 917784170 /nfs/dbraw/zinc/78/41/70/917784170.db2.gz NPZRMSUEANEVOF-CQSZACIVSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484247213 917793663 /nfs/dbraw/zinc/79/36/63/917793663.db2.gz RIWHZGAYKZFRBE-INIZCTEOSA-N 2 1 291.395 -0.342 20 30 CBEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001484250500 917793795 /nfs/dbraw/zinc/79/37/95/917793795.db2.gz HRDLKJVRUZPDRT-HNNXBMFYSA-N 2 1 290.367 -0.232 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001484250500 917793804 /nfs/dbraw/zinc/79/38/04/917793804.db2.gz HRDLKJVRUZPDRT-HNNXBMFYSA-N 2 1 290.367 -0.232 20 30 CBEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486268936 918402487 /nfs/dbraw/zinc/40/24/87/918402487.db2.gz WAUBYECIGOXBHT-CHWSQXEVSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486268936 918402497 /nfs/dbraw/zinc/40/24/97/918402497.db2.gz WAUBYECIGOXBHT-CHWSQXEVSA-N 2 1 285.388 -0.698 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001488820108 918771889 /nfs/dbraw/zinc/77/18/89/918771889.db2.gz IATFLLDYBGCEKA-MGPQQGTHSA-N 2 1 279.384 -0.175 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001488820108 918771905 /nfs/dbraw/zinc/77/19/05/918771905.db2.gz IATFLLDYBGCEKA-MGPQQGTHSA-N 2 1 279.384 -0.175 20 30 CBEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490649455 918951660 /nfs/dbraw/zinc/95/16/60/918951660.db2.gz SWXUBHZPCHMDCC-STQMWFEESA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490649455 918951682 /nfs/dbraw/zinc/95/16/82/918951682.db2.gz SWXUBHZPCHMDCC-STQMWFEESA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001491992141 919306423 /nfs/dbraw/zinc/30/64/23/919306423.db2.gz KSRPRJTWYNQMHI-STQMWFEESA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C[C@@H](C)O ZINC001492967761 919457323 /nfs/dbraw/zinc/45/73/23/919457323.db2.gz PGNDUONNJZAVEC-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C[C@@H](C)O ZINC001492967761 919457330 /nfs/dbraw/zinc/45/73/30/919457330.db2.gz PGNDUONNJZAVEC-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@@H](C)O ZINC001492967761 919457341 /nfs/dbraw/zinc/45/73/41/919457341.db2.gz PGNDUONNJZAVEC-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@@H](C)O ZINC001492967761 919457350 /nfs/dbraw/zinc/45/73/50/919457350.db2.gz PGNDUONNJZAVEC-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495585 920312502 /nfs/dbraw/zinc/31/25/02/920312502.db2.gz JNRSQQROHDYOSF-CYBMUJFWSA-N 2 1 294.399 -0.874 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001498055180 920462189 /nfs/dbraw/zinc/46/21/89/920462189.db2.gz MCNVRYNODZZTAR-XQQFMLRXSA-N 2 1 294.399 -0.687 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001498055180 920462199 /nfs/dbraw/zinc/46/21/99/920462199.db2.gz MCNVRYNODZZTAR-XQQFMLRXSA-N 2 1 294.399 -0.687 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001500702369 920862826 /nfs/dbraw/zinc/86/28/26/920862826.db2.gz ZWBCKGGVDUIUSF-AWEZNQCLSA-N 2 1 276.340 -0.622 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001500702369 920862838 /nfs/dbraw/zinc/86/28/38/920862838.db2.gz ZWBCKGGVDUIUSF-AWEZNQCLSA-N 2 1 276.340 -0.622 20 30 CBEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500724621 920866872 /nfs/dbraw/zinc/86/68/72/920866872.db2.gz GNORSRUHXMBRFK-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500724621 920866884 /nfs/dbraw/zinc/86/68/84/920866884.db2.gz GNORSRUHXMBRFK-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500724621 920866895 /nfs/dbraw/zinc/86/68/95/920866895.db2.gz GNORSRUHXMBRFK-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001500722064 920867175 /nfs/dbraw/zinc/86/71/75/920867175.db2.gz LISIFVZEPJEGCM-ZDUSSCGKSA-N 2 1 255.362 -0.323 20 30 CBEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001501345614 920971403 /nfs/dbraw/zinc/97/14/03/920971403.db2.gz LNZJDUFLRJBTMO-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001501345614 920971419 /nfs/dbraw/zinc/97/14/19/920971419.db2.gz LNZJDUFLRJBTMO-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001507602813 921882737 /nfs/dbraw/zinc/88/27/37/921882737.db2.gz IRKRZZVMPGIULK-ZIAGYGMSSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001507602813 921882753 /nfs/dbraw/zinc/88/27/53/921882753.db2.gz IRKRZZVMPGIULK-ZIAGYGMSSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001507602813 921882768 /nfs/dbraw/zinc/88/27/68/921882768.db2.gz IRKRZZVMPGIULK-ZIAGYGMSSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001507602813 921882779 /nfs/dbraw/zinc/88/27/79/921882779.db2.gz IRKRZZVMPGIULK-ZIAGYGMSSA-N 2 1 299.415 -0.356 20 30 CBEDMP CNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000066245395 351598023 /nfs/dbraw/zinc/59/80/23/351598023.db2.gz ZDWFVYZOYAGNHW-CYBMUJFWSA-N 2 1 262.357 -0.060 20 30 CBEDMP OC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](CO)C2)C1 ZINC000342144856 353219238 /nfs/dbraw/zinc/21/92/38/353219238.db2.gz WJWUUODSHZULFN-OKILXGFUSA-N 2 1 252.358 -0.382 20 30 CBEDMP OC[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](CO)C2)C1 ZINC000342144856 353219241 /nfs/dbraw/zinc/21/92/41/353219241.db2.gz WJWUUODSHZULFN-OKILXGFUSA-N 2 1 252.358 -0.382 20 30 CBEDMP C=CCNC(=O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362830453 353668572 /nfs/dbraw/zinc/66/85/72/353668572.db2.gz KRWPWOJHVZOBSR-LBPRGKRZSA-N 2 1 280.372 -0.815 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](C)CC(C)(C)O)CC1 ZINC000490780699 354446972 /nfs/dbraw/zinc/44/69/72/354446972.db2.gz PJGSATHHISOONX-UHFFFAOYSA-N 2 1 267.373 -0.534 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000600732123 355564418 /nfs/dbraw/zinc/56/44/18/355564418.db2.gz XESLYYJOQCDKOC-UHFFFAOYSA-N 2 1 272.349 -0.834 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000600732123 355564420 /nfs/dbraw/zinc/56/44/20/355564420.db2.gz XESLYYJOQCDKOC-UHFFFAOYSA-N 2 1 272.349 -0.834 20 30 CBEDMP [NH2+]=C(NCCCn1cccn1)NCCC[NH+]1CCOCC1 ZINC000104162490 220201216 /nfs/dbraw/zinc/20/12/16/220201216.db2.gz ZATNOGRUYCUYHP-UHFFFAOYSA-N 2 1 294.403 -0.100 20 30 CBEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccon1 ZINC000261747739 220243603 /nfs/dbraw/zinc/24/36/03/220243603.db2.gz LLYBAWSWIMPBEW-ZDUSSCGKSA-N 2 1 294.403 -0.072 20 30 CBEDMP C[NH+]=C(NCCn1cccc1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000261769813 220243873 /nfs/dbraw/zinc/24/38/73/220243873.db2.gz NVYDJCXIQBDPBP-CQSZACIVSA-N 2 1 292.431 -0.101 20 30 CBEDMP CNC(=O)CNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261674895 220243968 /nfs/dbraw/zinc/24/39/68/220243968.db2.gz CLJVGLIMAHBAMX-GXSJLCMTSA-N 2 1 267.377 -0.620 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnnn1C ZINC000262256560 220247886 /nfs/dbraw/zinc/24/78/86/220247886.db2.gz FHHHWDCNRGXZSR-JTQLQIEISA-N 2 1 265.365 -0.296 20 30 CBEDMP C[NH+]=C(NCc1nncn1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262014480 220248381 /nfs/dbraw/zinc/24/83/81/220248381.db2.gz XKYNXKUAUAFUQR-ZYHUDNBSSA-N 2 1 291.403 -0.037 20 30 CBEDMP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262316916 220250326 /nfs/dbraw/zinc/25/03/26/220250326.db2.gz QVPDJYZVFPZJLX-GHMZBOCLSA-N 2 1 281.404 -0.135 20 30 CBEDMP C[C@@H]1CN(C(=[NH2+])NC[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC000262469270 220251231 /nfs/dbraw/zinc/25/12/31/220251231.db2.gz OKXBTKXYCZLVEW-PWSUYJOCSA-N 2 1 256.350 -0.912 20 30 CBEDMP C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000262452064 220251388 /nfs/dbraw/zinc/25/13/88/220251388.db2.gz UVBAZCGKELVDFL-AAEUAGOBSA-N 2 1 294.403 -0.430 20 30 CBEDMP C[C@H]1CN(C(=[NH2+])NC[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC000262469269 220251799 /nfs/dbraw/zinc/25/17/99/220251799.db2.gz OKXBTKXYCZLVEW-JQWIXIFHSA-N 2 1 256.350 -0.912 20 30 CBEDMP C[C@H]1C[NH+]=C(NCCC(=O)N2CC[NH+](C)CC2)N1 ZINC000262629477 220253252 /nfs/dbraw/zinc/25/32/52/220253252.db2.gz FKYROVRMJQBCQH-JTQLQIEISA-N 2 1 253.350 -0.912 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncn(C)n1 ZINC000262688587 220255764 /nfs/dbraw/zinc/25/57/64/220255764.db2.gz ZKFAHRSUWMYEEA-JTQLQIEISA-N 2 1 265.365 -0.296 20 30 CBEDMP Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n(C)n1 ZINC000284017841 220293281 /nfs/dbraw/zinc/29/32/81/220293281.db2.gz NKLYYZPYIJUETH-UHFFFAOYSA-N 2 1 294.403 -0.145 20 30 CBEDMP C[C@@H]1[C@H](O)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000650191058 419947890 /nfs/dbraw/zinc/94/78/90/419947890.db2.gz XUELFRMUNARIDM-AAVRWANBSA-N 2 1 252.358 -0.100 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(O)CCOCC1 ZINC000262005526 276377941 /nfs/dbraw/zinc/37/79/41/276377941.db2.gz RJHCNFHDAYLNHV-LBPRGKRZSA-N 2 1 284.404 -0.084 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CC[NH+](C)C1 ZINC000262275205 279303401 /nfs/dbraw/zinc/30/34/01/279303401.db2.gz HVFUBDHXEHDDEU-OCCSQVGLSA-N 3 1 283.420 -0.558 20 30 CBEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000262275205 279303403 /nfs/dbraw/zinc/30/34/03/279303403.db2.gz HVFUBDHXEHDDEU-OCCSQVGLSA-N 3 1 283.420 -0.558 20 30 CBEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000262275205 279303405 /nfs/dbraw/zinc/30/34/05/279303405.db2.gz HVFUBDHXEHDDEU-OCCSQVGLSA-N 3 1 283.420 -0.558 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000491545169 332234704 /nfs/dbraw/zinc/23/47/04/332234704.db2.gz PEGMCSRUIAPPLO-CQSZACIVSA-N 2 1 281.400 -0.192 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(CCO)C[C@@H]1C ZINC000491768668 332336102 /nfs/dbraw/zinc/33/61/02/332336102.db2.gz ITQZKWOQPSWYGR-AWEZNQCLSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000491768668 332336104 /nfs/dbraw/zinc/33/61/04/332336104.db2.gz ITQZKWOQPSWYGR-AWEZNQCLSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000491768668 332336105 /nfs/dbraw/zinc/33/61/05/332336105.db2.gz ITQZKWOQPSWYGR-AWEZNQCLSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000491768668 332336106 /nfs/dbraw/zinc/33/61/06/332336106.db2.gz ITQZKWOQPSWYGR-AWEZNQCLSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(CCO)C[C@H]1C ZINC000491768669 332336116 /nfs/dbraw/zinc/33/61/16/332336116.db2.gz ITQZKWOQPSWYGR-CQSZACIVSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000491768669 332336118 /nfs/dbraw/zinc/33/61/18/332336118.db2.gz ITQZKWOQPSWYGR-CQSZACIVSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000491768669 332336119 /nfs/dbraw/zinc/33/61/19/332336119.db2.gz ITQZKWOQPSWYGR-CQSZACIVSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000491768669 332336120 /nfs/dbraw/zinc/33/61/20/332336120.db2.gz ITQZKWOQPSWYGR-CQSZACIVSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491806252 332359556 /nfs/dbraw/zinc/35/95/56/332359556.db2.gz QUXKJHIIKNAIJG-GFCCVEGCSA-N 2 1 252.362 -0.007 20 30 CBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000517030557 333090459 /nfs/dbraw/zinc/09/04/59/333090459.db2.gz QFUXUQJMMLSQKF-LSDHHAIUSA-N 2 1 298.431 -0.371 20 30 CBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000517030557 333090460 /nfs/dbraw/zinc/09/04/60/333090460.db2.gz QFUXUQJMMLSQKF-LSDHHAIUSA-N 2 1 298.431 -0.371 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986328 582524279 /nfs/dbraw/zinc/52/42/79/582524279.db2.gz KYFPQXKBYIAESH-QWHCGFSZSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986328 582524280 /nfs/dbraw/zinc/52/42/80/582524280.db2.gz KYFPQXKBYIAESH-QWHCGFSZSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000834569368 583131451 /nfs/dbraw/zinc/13/14/51/583131451.db2.gz NOYUUCAJQMMTFA-GOEBONIOSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000834569368 583131454 /nfs/dbraw/zinc/13/14/54/583131454.db2.gz NOYUUCAJQMMTFA-GOEBONIOSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000836369022 583141579 /nfs/dbraw/zinc/14/15/79/583141579.db2.gz UGTAJALKJUQBJR-KGLIPLIRSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000836369022 583141582 /nfs/dbraw/zinc/14/15/82/583141582.db2.gz UGTAJALKJUQBJR-KGLIPLIRSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000836369022 583141584 /nfs/dbraw/zinc/14/15/84/583141584.db2.gz UGTAJALKJUQBJR-KGLIPLIRSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000836369022 583141586 /nfs/dbraw/zinc/14/15/86/583141586.db2.gz UGTAJALKJUQBJR-KGLIPLIRSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH2+]C1CC1 ZINC000841907711 583176644 /nfs/dbraw/zinc/17/66/44/583176644.db2.gz RZACBSZSKQJUAL-UHFFFAOYSA-N 2 1 252.362 -0.007 20 30 CBEDMP CCN1CC[NH+](CCC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000844195536 583260446 /nfs/dbraw/zinc/26/04/46/583260446.db2.gz WVIVHDCEEYBKCT-OLZOCXBDSA-N 2 1 279.388 -0.758 20 30 CBEDMP CCNC(NCCC(=O)N1CC[NH+](C)CC1)=[NH+]CC ZINC000848986512 583464570 /nfs/dbraw/zinc/46/45/70/583464570.db2.gz ZZMFHDSXXUJZMA-UHFFFAOYSA-N 2 1 269.393 -0.275 20 30 CBEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000878454666 584203613 /nfs/dbraw/zinc/20/36/13/584203613.db2.gz ZWASGPCOHLSGAV-KGLIPLIRSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000883124011 584337421 /nfs/dbraw/zinc/33/74/21/584337421.db2.gz SLWBJKQJDGUWSA-AWEZNQCLSA-N 2 1 289.383 -0.298 20 30 CBEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC(F)(F)C[NH3+])C2 ZINC000884253532 584370536 /nfs/dbraw/zinc/37/05/36/584370536.db2.gz MRBMLAQHHPPWCP-YUCVTWSNSA-N 2 1 272.299 -0.164 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900812330 584828799 /nfs/dbraw/zinc/82/87/99/584828799.db2.gz VDZWFWZQSHIHSP-CHWSQXEVSA-N 2 1 268.405 -0.145 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000968909739 612963365 /nfs/dbraw/zinc/96/33/65/612963365.db2.gz PZBGEQJDWGOFPL-KGLIPLIRSA-N 2 1 289.383 -0.363 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373549 613033458 /nfs/dbraw/zinc/03/34/58/613033458.db2.gz HFZFIPZGKXXOKX-LSDHHAIUSA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972558996 613089457 /nfs/dbraw/zinc/08/94/57/613089457.db2.gz XROOGQZVMJTBEW-AWEZNQCLSA-N 2 1 279.384 -0.125 20 30 CBEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972558996 613089458 /nfs/dbraw/zinc/08/94/58/613089458.db2.gz XROOGQZVMJTBEW-AWEZNQCLSA-N 2 1 279.384 -0.125 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214402 613294219 /nfs/dbraw/zinc/29/42/19/613294219.db2.gz HDGYHOWCRNOKIJ-KBPBESRZSA-N 2 1 291.395 -0.343 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961189965 613315117 /nfs/dbraw/zinc/31/51/17/613315117.db2.gz VULHNMBQMAMLCB-IMRBUKKESA-N 2 1 258.325 -0.129 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961189965 613315119 /nfs/dbraw/zinc/31/51/19/613315119.db2.gz VULHNMBQMAMLCB-IMRBUKKESA-N 2 1 258.325 -0.129 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374925 613625144 /nfs/dbraw/zinc/62/51/44/613625144.db2.gz PRSXHFAYYOJTGF-CABCVRRESA-N 2 1 293.411 -0.240 20 30 CBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665402 613661022 /nfs/dbraw/zinc/66/10/22/613661022.db2.gz WIYQPZVTSWRJPB-CQSZACIVSA-N 2 1 292.427 -0.048 20 30 CBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665402 613661023 /nfs/dbraw/zinc/66/10/23/613661023.db2.gz WIYQPZVTSWRJPB-CQSZACIVSA-N 2 1 292.427 -0.048 20 30 CBEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958591439 613816431 /nfs/dbraw/zinc/81/64/31/613816431.db2.gz GZDBTLHTOQXGPD-CHWSQXEVSA-N 2 1 279.384 -0.323 20 30 CBEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591451 613823939 /nfs/dbraw/zinc/82/39/39/613823939.db2.gz GZDBTLHTOQXGPD-STQMWFEESA-N 2 1 279.384 -0.323 20 30 CBEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931489005 659470814 /nfs/dbraw/zinc/47/08/14/659470814.db2.gz XGQQLPTXIHMPSC-UHFFFAOYSA-N 2 1 298.387 -0.613 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N(C)C ZINC000303863635 656139419 /nfs/dbraw/zinc/13/94/19/656139419.db2.gz AKCQNIGUQDWYOB-LLVKDONJSA-N 2 1 269.393 -0.147 20 30 CBEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303877618 656139560 /nfs/dbraw/zinc/13/95/60/656139560.db2.gz FLQZDHVSZLBCFL-ZDUSSCGKSA-N 2 1 283.420 -0.435 20 30 CBEDMP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303877618 656139562 /nfs/dbraw/zinc/13/95/62/656139562.db2.gz FLQZDHVSZLBCFL-ZDUSSCGKSA-N 3 1 283.420 -0.435 20 30 CBEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303877618 656139567 /nfs/dbraw/zinc/13/95/67/656139567.db2.gz FLQZDHVSZLBCFL-ZDUSSCGKSA-N 3 1 283.420 -0.435 20 30 CBEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)C(N)=O ZINC000303863819 656139827 /nfs/dbraw/zinc/13/98/27/656139827.db2.gz AOGOHCQAMPOXMP-UHFFFAOYSA-N 2 1 285.392 -0.876 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000303982039 656140243 /nfs/dbraw/zinc/14/02/43/656140243.db2.gz PUQGDWNYYCSEME-ZDUSSCGKSA-N 2 1 297.447 -0.034 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305797473 656141636 /nfs/dbraw/zinc/14/16/36/656141636.db2.gz GEBMOGZAOPURHO-LBPRGKRZSA-N 2 1 281.404 -0.099 20 30 CBEDMP C#CCNC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710571939 656198669 /nfs/dbraw/zinc/19/86/69/656198669.db2.gz XRPUENFZBRZNSG-UHFFFAOYSA-N 2 1 253.346 -0.876 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905275999 656347587 /nfs/dbraw/zinc/34/75/87/656347587.db2.gz ULJBEOWUXUJWAB-KGLIPLIRSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905275999 656347590 /nfs/dbraw/zinc/34/75/90/656347590.db2.gz ULJBEOWUXUJWAB-KGLIPLIRSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905276097 656347606 /nfs/dbraw/zinc/34/76/06/656347606.db2.gz VWPHYPVSRPFZEM-CYBMUJFWSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905276097 656347610 /nfs/dbraw/zinc/34/76/10/656347610.db2.gz VWPHYPVSRPFZEM-CYBMUJFWSA-N 2 1 270.373 -0.567 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](CC)CCO ZINC000907440939 656505830 /nfs/dbraw/zinc/50/58/30/656505830.db2.gz UGYXPRJPLADUNV-UHFFFAOYSA-N 2 1 257.378 -0.075 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000999861519 656658049 /nfs/dbraw/zinc/65/80/49/656658049.db2.gz JRWYFTKPWUFDHB-RUXDESIVSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000999861519 656658062 /nfs/dbraw/zinc/65/80/62/656658062.db2.gz JRWYFTKPWUFDHB-RUXDESIVSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908436318 656727551 /nfs/dbraw/zinc/72/75/51/656727551.db2.gz PCZOWFCQPLWJNX-GXTWGEPZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015332396 657434434 /nfs/dbraw/zinc/43/44/34/657434434.db2.gz BCJOVVFWZGCLGU-WJEHIRDRSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015332396 657434435 /nfs/dbraw/zinc/43/44/35/657434435.db2.gz BCJOVVFWZGCLGU-WJEHIRDRSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015332396 657434436 /nfs/dbraw/zinc/43/44/36/657434436.db2.gz BCJOVVFWZGCLGU-WJEHIRDRSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015332396 657434438 /nfs/dbraw/zinc/43/44/38/657434438.db2.gz BCJOVVFWZGCLGU-WJEHIRDRSA-N 2 1 289.379 -0.327 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000913524574 657493798 /nfs/dbraw/zinc/49/37/98/657493798.db2.gz SDYHSTHUOBWIDA-WCQYABFASA-N 2 1 253.346 -0.877 20 30 CBEDMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913524435 657493218 /nfs/dbraw/zinc/49/32/18/657493218.db2.gz MPIYAQNFKIODIU-NEPJUHHUSA-N 2 1 253.346 -0.613 20 30 CBEDMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913524435 657493219 /nfs/dbraw/zinc/49/32/19/657493219.db2.gz MPIYAQNFKIODIU-NEPJUHHUSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016306162 657686920 /nfs/dbraw/zinc/68/69/20/657686920.db2.gz NSGWXQRELALJSI-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016306162 657686930 /nfs/dbraw/zinc/68/69/30/657686930.db2.gz NSGWXQRELALJSI-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016306162 657686945 /nfs/dbraw/zinc/68/69/45/657686945.db2.gz NSGWXQRELALJSI-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016306162 657686951 /nfs/dbraw/zinc/68/69/51/657686951.db2.gz NSGWXQRELALJSI-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018663720 657836637 /nfs/dbraw/zinc/83/66/37/657836637.db2.gz NNMRETZGVCODNZ-RYUDHWBXSA-N 2 1 251.330 -0.859 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018663720 657836640 /nfs/dbraw/zinc/83/66/40/657836640.db2.gz NNMRETZGVCODNZ-RYUDHWBXSA-N 2 1 251.330 -0.859 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001018984830 657856079 /nfs/dbraw/zinc/85/60/79/657856079.db2.gz FPQIKSCGJJCBMG-AGIUHOORSA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001018984830 657856080 /nfs/dbraw/zinc/85/60/80/657856080.db2.gz FPQIKSCGJJCBMG-AGIUHOORSA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178855 658022982 /nfs/dbraw/zinc/02/29/82/658022982.db2.gz GTZASFHZCATQBJ-XUXIUFHCSA-N 2 1 277.368 -0.280 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001020508349 658061079 /nfs/dbraw/zinc/06/10/79/658061079.db2.gz VBHMYDSVNJPPTK-IHRRRGAJSA-N 2 1 279.384 -0.034 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001020508349 658061091 /nfs/dbraw/zinc/06/10/91/658061091.db2.gz VBHMYDSVNJPPTK-IHRRRGAJSA-N 2 1 279.384 -0.034 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000923552352 658319055 /nfs/dbraw/zinc/31/90/55/658319055.db2.gz WRGOHQHFXBXAMU-GZBFAFLISA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)CN2C)C1 ZINC000923552352 658319063 /nfs/dbraw/zinc/31/90/63/658319063.db2.gz WRGOHQHFXBXAMU-GZBFAFLISA-N 2 1 279.384 -0.345 20 30 CBEDMP C=CC[NH+]1CCC(NS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923607474 658350202 /nfs/dbraw/zinc/35/02/02/658350202.db2.gz XZRXRDKTIRUDLN-UHFFFAOYSA-N 2 1 259.375 -0.472 20 30 CBEDMP C#CC[N@H+](C)CCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925314172 658822280 /nfs/dbraw/zinc/82/22/80/658822280.db2.gz RQQXPXLARREVBZ-LLVKDONJSA-N 2 1 266.345 -0.577 20 30 CBEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985354413 659382380 /nfs/dbraw/zinc/38/23/80/659382380.db2.gz PASWUVLFZUMTHN-AWEZNQCLSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985354413 659382384 /nfs/dbraw/zinc/38/23/84/659382384.db2.gz PASWUVLFZUMTHN-AWEZNQCLSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000985354413 659382391 /nfs/dbraw/zinc/38/23/91/659382391.db2.gz PASWUVLFZUMTHN-AWEZNQCLSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000985354413 659382398 /nfs/dbraw/zinc/38/23/98/659382398.db2.gz PASWUVLFZUMTHN-AWEZNQCLSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000987188806 659494445 /nfs/dbraw/zinc/49/44/45/659494445.db2.gz BKCOMMLQDAQHMO-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001022220950 790997513 /nfs/dbraw/zinc/99/75/13/790997513.db2.gz UUZATYLMQIBYLS-FQUUOJAGSA-N 2 1 279.384 -0.298 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001022220950 790997524 /nfs/dbraw/zinc/99/75/24/790997524.db2.gz UUZATYLMQIBYLS-FQUUOJAGSA-N 2 1 279.384 -0.298 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011047 805823074 /nfs/dbraw/zinc/82/30/74/805823074.db2.gz ZBZDYYHEHKEGJW-CHWSQXEVSA-N 2 1 277.368 -0.733 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180310 805853073 /nfs/dbraw/zinc/85/30/73/805853073.db2.gz XJKBNSAICVRZEE-CHWSQXEVSA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180310 805853082 /nfs/dbraw/zinc/85/30/82/805853082.db2.gz XJKBNSAICVRZEE-CHWSQXEVSA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001078205879 805855399 /nfs/dbraw/zinc/85/53/99/805855399.db2.gz IFGNZIGKKMPRNZ-MCIONIFRSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001078205879 805855407 /nfs/dbraw/zinc/85/54/07/805855407.db2.gz IFGNZIGKKMPRNZ-MCIONIFRSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078205879 805855416 /nfs/dbraw/zinc/85/54/16/805855416.db2.gz IFGNZIGKKMPRNZ-MCIONIFRSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078205879 805855424 /nfs/dbraw/zinc/85/54/24/805855424.db2.gz IFGNZIGKKMPRNZ-MCIONIFRSA-N 2 1 297.399 -0.556 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)CC1 ZINC001080997609 806023513 /nfs/dbraw/zinc/02/35/13/806023513.db2.gz GRWCTTWWLYXGRY-UKRRQHHQSA-N 2 1 293.411 -0.240 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955010 806470069 /nfs/dbraw/zinc/47/00/69/806470069.db2.gz SQBJWCKEDUDKBH-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955010 806470072 /nfs/dbraw/zinc/47/00/72/806470072.db2.gz SQBJWCKEDUDKBH-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955010 806470074 /nfs/dbraw/zinc/47/00/74/806470074.db2.gz SQBJWCKEDUDKBH-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955010 806470075 /nfs/dbraw/zinc/47/00/75/806470075.db2.gz SQBJWCKEDUDKBH-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084052950 806480810 /nfs/dbraw/zinc/48/08/10/806480810.db2.gz NKPKXDTWMHEMQO-UTUOFQBUSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084052950 806480815 /nfs/dbraw/zinc/48/08/15/806480815.db2.gz NKPKXDTWMHEMQO-UTUOFQBUSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084052950 806480821 /nfs/dbraw/zinc/48/08/21/806480821.db2.gz NKPKXDTWMHEMQO-UTUOFQBUSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084052950 806480825 /nfs/dbraw/zinc/48/08/25/806480825.db2.gz NKPKXDTWMHEMQO-UTUOFQBUSA-N 2 1 253.346 -0.715 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)C[C@@H]2O)CC1 ZINC001084088215 806485898 /nfs/dbraw/zinc/48/58/98/806485898.db2.gz WJHHHSBPIVMLKU-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001028329185 799122986 /nfs/dbraw/zinc/12/29/86/799122986.db2.gz HXTPRLQEWRDBEI-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461110 799140376 /nfs/dbraw/zinc/14/03/76/799140376.db2.gz JZGBMFWNXSARGA-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461110 799140382 /nfs/dbraw/zinc/14/03/82/799140382.db2.gz JZGBMFWNXSARGA-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461110 799140389 /nfs/dbraw/zinc/14/03/89/799140389.db2.gz JZGBMFWNXSARGA-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461110 799140393 /nfs/dbraw/zinc/14/03/93/799140393.db2.gz JZGBMFWNXSARGA-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031597163 799517244 /nfs/dbraw/zinc/51/72/44/799517244.db2.gz VOXUWPIOGMVTBS-CYBMUJFWSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031597163 799517248 /nfs/dbraw/zinc/51/72/48/799517248.db2.gz VOXUWPIOGMVTBS-CYBMUJFWSA-N 2 1 267.373 -0.059 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765996 799542239 /nfs/dbraw/zinc/54/22/39/799542239.db2.gz YGBGVZDBEVOPAZ-TZMCWYRMSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765996 799542245 /nfs/dbraw/zinc/54/22/45/799542245.db2.gz YGBGVZDBEVOPAZ-TZMCWYRMSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](C)O)CC1 ZINC001039041890 801283281 /nfs/dbraw/zinc/28/32/81/801283281.db2.gz ILMBMFKRRLAETJ-ZFWWWQNUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCO)CC1 ZINC001039042609 801284417 /nfs/dbraw/zinc/28/44/17/801284417.db2.gz UTCGLAZDRBBXLB-OAHLLOKOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047510800 801891874 /nfs/dbraw/zinc/89/18/74/801891874.db2.gz BCTDKFXFFSKNFU-KBPBESRZSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047510800 801891881 /nfs/dbraw/zinc/89/18/81/801891881.db2.gz BCTDKFXFFSKNFU-KBPBESRZSA-N 2 1 279.384 -0.535 20 30 CBEDMP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047529065 801895828 /nfs/dbraw/zinc/89/58/28/801895828.db2.gz OYSYKLPTTCCBSG-ILXRZTDVSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834110 814304985 /nfs/dbraw/zinc/30/49/85/814304985.db2.gz OFJKCFXRCPFGTF-QWHCGFSZSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605956 814953070 /nfs/dbraw/zinc/95/30/70/814953070.db2.gz ZCYDUKQLFOCFAQ-UHFFFAOYSA-N 2 1 279.384 -0.268 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001322280825 803883938 /nfs/dbraw/zinc/88/39/38/803883938.db2.gz KOPLCOCXIYEBFY-CHWSQXEVSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001322280825 803883943 /nfs/dbraw/zinc/88/39/43/803883943.db2.gz KOPLCOCXIYEBFY-CHWSQXEVSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001322280828 803884013 /nfs/dbraw/zinc/88/40/13/803884013.db2.gz KOPLCOCXIYEBFY-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001322280828 803884022 /nfs/dbraw/zinc/88/40/22/803884022.db2.gz KOPLCOCXIYEBFY-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001325109632 804241292 /nfs/dbraw/zinc/24/12/92/804241292.db2.gz FQLPUDKFRDHPRV-UKRRQHHQSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001325109632 804241303 /nfs/dbraw/zinc/24/13/03/804241303.db2.gz FQLPUDKFRDHPRV-UKRRQHHQSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001325109632 804241311 /nfs/dbraw/zinc/24/13/11/804241311.db2.gz FQLPUDKFRDHPRV-UKRRQHHQSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001325126823 804244741 /nfs/dbraw/zinc/24/47/41/804244741.db2.gz RKZAHNQLVFIRGI-AWEZNQCLSA-N 2 1 267.373 -0.486 20 30 CBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151058180 815054658 /nfs/dbraw/zinc/05/46/58/815054658.db2.gz XCWGPOYEFPYOCV-QWHCGFSZSA-N 2 1 294.399 -0.569 20 30 CBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073553844 805383220 /nfs/dbraw/zinc/38/32/20/805383220.db2.gz AGGFPOMDVPMOPV-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073553844 805383230 /nfs/dbraw/zinc/38/32/30/805383230.db2.gz AGGFPOMDVPMOPV-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553844 805383240 /nfs/dbraw/zinc/38/32/40/805383240.db2.gz AGGFPOMDVPMOPV-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553844 805383248 /nfs/dbraw/zinc/38/32/48/805383248.db2.gz AGGFPOMDVPMOPV-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709635 805468272 /nfs/dbraw/zinc/46/82/72/805468272.db2.gz KVFQIPCMOTYQJX-ZOBORPQBSA-N 2 1 279.384 -0.082 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709635 805468276 /nfs/dbraw/zinc/46/82/76/805468276.db2.gz KVFQIPCMOTYQJX-ZOBORPQBSA-N 2 1 279.384 -0.082 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151739359 815091329 /nfs/dbraw/zinc/09/13/29/815091329.db2.gz LFTYIGXFSACEDD-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151739359 815091335 /nfs/dbraw/zinc/09/13/35/815091335.db2.gz LFTYIGXFSACEDD-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445825 815123353 /nfs/dbraw/zinc/12/33/53/815123353.db2.gz OMWRHPBDAUTTDZ-LBPRGKRZSA-N 2 1 282.388 -0.830 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145472 815340214 /nfs/dbraw/zinc/34/02/14/815340214.db2.gz LHXHEPYQHVDLGD-CYBMUJFWSA-N 2 1 283.372 -0.937 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145472 815340221 /nfs/dbraw/zinc/34/02/21/815340221.db2.gz LHXHEPYQHVDLGD-CYBMUJFWSA-N 2 1 283.372 -0.937 20 30 CBEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145494 815340377 /nfs/dbraw/zinc/34/03/77/815340377.db2.gz LXHMJQINVDATCX-CYBMUJFWSA-N 2 1 285.388 -0.385 20 30 CBEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145494 815340383 /nfs/dbraw/zinc/34/03/83/815340383.db2.gz LXHMJQINVDATCX-CYBMUJFWSA-N 2 1 285.388 -0.385 20 30 CBEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145495 815340858 /nfs/dbraw/zinc/34/08/58/815340858.db2.gz LXHMJQINVDATCX-ZDUSSCGKSA-N 2 1 285.388 -0.385 20 30 CBEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145495 815340864 /nfs/dbraw/zinc/34/08/64/815340864.db2.gz LXHMJQINVDATCX-ZDUSSCGKSA-N 2 1 285.388 -0.385 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086110077 810243021 /nfs/dbraw/zinc/24/30/21/810243021.db2.gz SKCQZZZEPBIQRH-MJBXVCDLSA-N 2 1 279.384 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086110077 810243025 /nfs/dbraw/zinc/24/30/25/810243025.db2.gz SKCQZZZEPBIQRH-MJBXVCDLSA-N 2 1 279.384 -0.439 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086332137 810260794 /nfs/dbraw/zinc/26/07/94/810260794.db2.gz UKUKMBCKGNGJQQ-AVGNSLFASA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086332137 810260799 /nfs/dbraw/zinc/26/07/99/810260799.db2.gz UKUKMBCKGNGJQQ-AVGNSLFASA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090436080 810498840 /nfs/dbraw/zinc/49/88/40/810498840.db2.gz NBFHRPSOKFFWCZ-OLZOCXBDSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090436080 810498846 /nfs/dbraw/zinc/49/88/46/810498846.db2.gz NBFHRPSOKFFWCZ-OLZOCXBDSA-N 2 1 278.356 -0.071 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574409 810528142 /nfs/dbraw/zinc/52/81/42/810528142.db2.gz SPMXHTBLWIRDLJ-ZIAGYGMSSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574409 810528148 /nfs/dbraw/zinc/52/81/48/810528148.db2.gz SPMXHTBLWIRDLJ-ZIAGYGMSSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574409 810528156 /nfs/dbraw/zinc/52/81/56/810528156.db2.gz SPMXHTBLWIRDLJ-ZIAGYGMSSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574409 810528162 /nfs/dbraw/zinc/52/81/62/810528162.db2.gz SPMXHTBLWIRDLJ-ZIAGYGMSSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731896 810560219 /nfs/dbraw/zinc/56/02/19/810560219.db2.gz XURIINSQQXRONV-OLZOCXBDSA-N 2 1 277.368 -0.733 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731896 810560224 /nfs/dbraw/zinc/56/02/24/810560224.db2.gz XURIINSQQXRONV-OLZOCXBDSA-N 2 1 277.368 -0.733 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731623 810560412 /nfs/dbraw/zinc/56/04/12/810560412.db2.gz UBPCEWANPHWWIP-KBPBESRZSA-N 2 1 291.395 -0.343 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731624 810560552 /nfs/dbraw/zinc/56/05/52/810560552.db2.gz UBPCEWANPHWWIP-KGLIPLIRSA-N 2 1 291.395 -0.343 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090813798 810569237 /nfs/dbraw/zinc/56/92/37/810569237.db2.gz WFFFGIXLMKLOTI-QWHCGFSZSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090813798 810569239 /nfs/dbraw/zinc/56/92/39/810569239.db2.gz WFFFGIXLMKLOTI-QWHCGFSZSA-N 2 1 278.356 -0.071 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872141 810956827 /nfs/dbraw/zinc/95/68/27/810956827.db2.gz PJQIZECJBJZTNL-OLZOCXBDSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872141 810956834 /nfs/dbraw/zinc/95/68/34/810956834.db2.gz PJQIZECJBJZTNL-OLZOCXBDSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099876334 810959571 /nfs/dbraw/zinc/95/95/71/810959571.db2.gz BTYIISCGZKCCSY-UONOGXRCSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099876334 810959573 /nfs/dbraw/zinc/95/95/73/810959573.db2.gz BTYIISCGZKCCSY-UONOGXRCSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099876334 810959576 /nfs/dbraw/zinc/95/95/76/810959576.db2.gz BTYIISCGZKCCSY-UONOGXRCSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099876334 810959580 /nfs/dbraw/zinc/95/95/80/810959580.db2.gz BTYIISCGZKCCSY-UONOGXRCSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971712 810979381 /nfs/dbraw/zinc/97/93/81/810979381.db2.gz LMBWDAWVSOOTNO-OLZOCXBDSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971712 810979384 /nfs/dbraw/zinc/97/93/84/810979384.db2.gz LMBWDAWVSOOTNO-OLZOCXBDSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971300 810979710 /nfs/dbraw/zinc/97/97/10/810979710.db2.gz FIBWXJIPUZNQAW-KGLIPLIRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971299 810980386 /nfs/dbraw/zinc/98/03/86/810980386.db2.gz FIBWXJIPUZNQAW-KBPBESRZSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972546 810982356 /nfs/dbraw/zinc/98/23/56/810982356.db2.gz YKEYADAHEZLZNT-ZIAGYGMSSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985918 810984919 /nfs/dbraw/zinc/98/49/19/810984919.db2.gz GYHFPFBZPUSCQY-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100049119 811004621 /nfs/dbraw/zinc/00/46/21/811004621.db2.gz XNXADYGZHANUQC-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100049119 811004635 /nfs/dbraw/zinc/00/46/35/811004635.db2.gz XNXADYGZHANUQC-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100067791 811011675 /nfs/dbraw/zinc/01/16/75/811011675.db2.gz XWGMRDZJVUBJEU-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100067791 811011682 /nfs/dbraw/zinc/01/16/82/811011682.db2.gz XWGMRDZJVUBJEU-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100067791 811011690 /nfs/dbraw/zinc/01/16/90/811011690.db2.gz XWGMRDZJVUBJEU-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073759 811014454 /nfs/dbraw/zinc/01/44/54/811014454.db2.gz GQMUDJSQADQOHW-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131406 811024824 /nfs/dbraw/zinc/02/48/24/811024824.db2.gz CMTXWSQJGROTHK-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131406 811024833 /nfs/dbraw/zinc/02/48/33/811024833.db2.gz CMTXWSQJGROTHK-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131406 811024841 /nfs/dbraw/zinc/02/48/41/811024841.db2.gz CMTXWSQJGROTHK-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131858 811026135 /nfs/dbraw/zinc/02/61/35/811026135.db2.gz JUFRPNACFMBMGP-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131858 811026138 /nfs/dbraw/zinc/02/61/38/811026138.db2.gz JUFRPNACFMBMGP-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131858 811026141 /nfs/dbraw/zinc/02/61/41/811026141.db2.gz JUFRPNACFMBMGP-ZIAGYGMSSA-N 2 1 281.400 -0.099 20 30 CBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105318653 811224600 /nfs/dbraw/zinc/22/46/00/811224600.db2.gz JXMQIDWKZJHVLX-UHFFFAOYSA-N 2 1 292.387 -0.111 20 30 CBEDMP C#CCC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545463 811644985 /nfs/dbraw/zinc/64/49/85/811644985.db2.gz PVHWWEXHOLFVND-UHFFFAOYSA-N 2 1 267.373 -0.268 20 30 CBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114041748 811710857 /nfs/dbraw/zinc/71/08/57/811710857.db2.gz PUEUFIRWCDVITM-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114041748 811710861 /nfs/dbraw/zinc/71/08/61/811710861.db2.gz PUEUFIRWCDVITM-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114041748 811710868 /nfs/dbraw/zinc/71/08/68/811710868.db2.gz PUEUFIRWCDVITM-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486180 815535516 /nfs/dbraw/zinc/53/55/16/815535516.db2.gz HJNULJBPAOCRRB-CHWSQXEVSA-N 2 1 265.357 -0.421 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124866334 813490021 /nfs/dbraw/zinc/49/00/21/813490021.db2.gz AFXQLGLKCXUEOM-NWDGAFQWSA-N 2 1 282.388 -0.523 20 30 CBEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001127689913 813741144 /nfs/dbraw/zinc/74/11/44/813741144.db2.gz BKORETHPAFSFEH-NWDGAFQWSA-N 2 1 295.387 -0.938 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778464 813746904 /nfs/dbraw/zinc/74/69/04/813746904.db2.gz FQPBYENWZLARBF-NEPJUHHUSA-N 2 1 253.346 -0.259 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780532 813748281 /nfs/dbraw/zinc/74/82/81/813748281.db2.gz ZQAHHKLUYRJMCV-KBPBESRZSA-N 2 1 295.383 -0.795 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785964 813749061 /nfs/dbraw/zinc/74/90/61/813749061.db2.gz SACAQAOXOHERHK-KBPBESRZSA-N 2 1 297.399 -0.242 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128774232 813796484 /nfs/dbraw/zinc/79/64/84/813796484.db2.gz PPRSWJASKZDWCA-ZDUSSCGKSA-N 2 1 294.399 -0.684 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532278 813850059 /nfs/dbraw/zinc/85/00/59/813850059.db2.gz XXTKCXYLGQRFPA-UHFFFAOYSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001129775838 813863126 /nfs/dbraw/zinc/86/31/26/813863126.db2.gz VLLORCSLEVOXBR-AWEZNQCLSA-N 2 1 289.383 -0.277 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001129775838 813863136 /nfs/dbraw/zinc/86/31/36/813863136.db2.gz VLLORCSLEVOXBR-AWEZNQCLSA-N 2 1 289.383 -0.277 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130306273 813927583 /nfs/dbraw/zinc/92/75/83/813927583.db2.gz UOKZGFZSTDIDOE-STQMWFEESA-N 2 1 296.415 -0.133 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845542 814307754 /nfs/dbraw/zinc/30/77/54/814307754.db2.gz IFYLLRHEIMYICZ-CYBMUJFWSA-N 2 1 267.373 -0.316 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133868108 814313553 /nfs/dbraw/zinc/31/35/53/814313553.db2.gz ZEZQXTRTOIUXNU-NWDGAFQWSA-N 2 1 282.388 -0.808 20 30 CBEDMP C#C[C@](C)([NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155006 815610025 /nfs/dbraw/zinc/61/00/25/815610025.db2.gz CKUAUMDYTQRNFG-GUTXKFCHSA-N 2 1 277.368 -0.341 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317281596 816958178 /nfs/dbraw/zinc/95/81/78/816958178.db2.gz DSDJVSSYYDDUJZ-STQMWFEESA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317550673 817007494 /nfs/dbraw/zinc/00/74/94/817007494.db2.gz MPNBIQUMIYRPFC-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317550673 817007503 /nfs/dbraw/zinc/00/75/03/817007503.db2.gz MPNBIQUMIYRPFC-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001317550673 817007510 /nfs/dbraw/zinc/00/75/10/817007510.db2.gz MPNBIQUMIYRPFC-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001317550673 817007514 /nfs/dbraw/zinc/00/75/14/817007514.db2.gz MPNBIQUMIYRPFC-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001320264049 817308780 /nfs/dbraw/zinc/30/87/80/817308780.db2.gz QCUGCOLNDRWGDC-KBPBESRZSA-N 2 1 281.400 -0.192 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320295416 817317050 /nfs/dbraw/zinc/31/70/50/817317050.db2.gz JBIBCCXHHZDQMK-RYUDHWBXSA-N 2 1 253.346 -0.972 20 30 CBEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166634226 820010944 /nfs/dbraw/zinc/01/09/44/820010944.db2.gz RHBIAANHWYDHGU-LBPRGKRZSA-N 2 1 295.387 -0.794 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668359 820014950 /nfs/dbraw/zinc/01/49/50/820014950.db2.gz ZSYJUTWNOXDBHZ-ZDUSSCGKSA-N 2 1 294.399 -0.827 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166695020 820016052 /nfs/dbraw/zinc/01/60/52/820016052.db2.gz ZMDRIGRNBLRMBM-CHWSQXEVSA-N 2 1 294.399 -0.971 20 30 CBEDMP N#C[C@@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)C(N)=O ZINC001170535975 820301703 /nfs/dbraw/zinc/30/17/03/820301703.db2.gz LHJAPCZSZWZVKO-SNVBAGLBSA-N 2 1 270.296 -0.190 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986011 820483905 /nfs/dbraw/zinc/48/39/05/820483905.db2.gz AZMXBNMMQHDMSW-CYBMUJFWSA-N 2 1 296.415 -0.440 20 30 CBEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822244 820832947 /nfs/dbraw/zinc/83/29/47/820832947.db2.gz QCSVSJLIGHXSMT-KGLIPLIRSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822244 820832959 /nfs/dbraw/zinc/83/29/59/820832959.db2.gz QCSVSJLIGHXSMT-KGLIPLIRSA-N 2 1 297.399 -0.290 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821801 820833998 /nfs/dbraw/zinc/83/39/98/820833998.db2.gz IMNDVSXEBFRHLR-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821801 820834009 /nfs/dbraw/zinc/83/40/09/820834009.db2.gz IMNDVSXEBFRHLR-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001279731259 828336979 /nfs/dbraw/zinc/33/69/79/828336979.db2.gz NYVKRBRGBPBZJC-AWEZNQCLSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CCO1 ZINC001280595715 828364609 /nfs/dbraw/zinc/36/46/09/828364609.db2.gz OPPALTPBIJNCFH-GJZGRUSLSA-N 2 1 289.379 -0.466 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CCO1 ZINC001280595715 828364617 /nfs/dbraw/zinc/36/46/17/828364617.db2.gz OPPALTPBIJNCFH-GJZGRUSLSA-N 2 1 289.379 -0.466 20 30 CBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001281161927 828405917 /nfs/dbraw/zinc/40/59/17/828405917.db2.gz AXZFCFXDFJJIBT-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817871 822297823 /nfs/dbraw/zinc/29/78/23/822297823.db2.gz KRORVEZSPNVMHX-QWHCGFSZSA-N 2 1 294.399 -0.569 20 30 CBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825330 822298721 /nfs/dbraw/zinc/29/87/21/822298721.db2.gz KRZSEDJUCDPLFM-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282366408 828442462 /nfs/dbraw/zinc/44/24/62/828442462.db2.gz JYEDRBJAPKUESJ-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282366408 828442463 /nfs/dbraw/zinc/44/24/63/828442463.db2.gz JYEDRBJAPKUESJ-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282366408 828442467 /nfs/dbraw/zinc/44/24/67/828442467.db2.gz JYEDRBJAPKUESJ-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282366408 828442469 /nfs/dbraw/zinc/44/24/69/828442469.db2.gz JYEDRBJAPKUESJ-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001282497224 828450577 /nfs/dbraw/zinc/45/05/77/828450577.db2.gz MLMXUBMFCIEADC-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001282497224 828450579 /nfs/dbraw/zinc/45/05/79/828450579.db2.gz MLMXUBMFCIEADC-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001282497224 828450582 /nfs/dbraw/zinc/45/05/82/828450582.db2.gz MLMXUBMFCIEADC-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001282497224 828450585 /nfs/dbraw/zinc/45/05/85/828450585.db2.gz MLMXUBMFCIEADC-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001283715281 828535576 /nfs/dbraw/zinc/53/55/76/828535576.db2.gz TWXHTYHQKIDJAF-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001283715281 828535580 /nfs/dbraw/zinc/53/55/80/828535580.db2.gz TWXHTYHQKIDJAF-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001283764163 828544728 /nfs/dbraw/zinc/54/47/28/828544728.db2.gz KHEJJERFDWKCPM-CABCVRRESA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001283764163 828544734 /nfs/dbraw/zinc/54/47/34/828544734.db2.gz KHEJJERFDWKCPM-CABCVRRESA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153870 823954218 /nfs/dbraw/zinc/95/42/18/823954218.db2.gz XKNWIDNMFRUPRW-CYBMUJFWSA-N 2 1 294.399 -0.780 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153870 823954220 /nfs/dbraw/zinc/95/42/20/823954220.db2.gz XKNWIDNMFRUPRW-CYBMUJFWSA-N 2 1 294.399 -0.780 20 30 CBEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncc1C ZINC001284505851 828605111 /nfs/dbraw/zinc/60/51/11/828605111.db2.gz OYPXKWVCLNFMFG-CQSZACIVSA-N 2 1 292.383 -0.034 20 30 CBEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001284505851 828605121 /nfs/dbraw/zinc/60/51/21/828605121.db2.gz OYPXKWVCLNFMFG-CQSZACIVSA-N 2 1 292.383 -0.034 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196206827 824152620 /nfs/dbraw/zinc/15/26/20/824152620.db2.gz HPPWSCGCJUGFBJ-GRYCIOLGSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196206827 824152622 /nfs/dbraw/zinc/15/26/22/824152622.db2.gz HPPWSCGCJUGFBJ-GRYCIOLGSA-N 2 1 255.362 -0.326 20 30 CBEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCOC ZINC001284669326 828618146 /nfs/dbraw/zinc/61/81/46/828618146.db2.gz VPYAIYIRTZAERP-ZDUSSCGKSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCOC ZINC001284669326 828618149 /nfs/dbraw/zinc/61/81/49/828618149.db2.gz VPYAIYIRTZAERP-ZDUSSCGKSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCOC ZINC001284669326 828618156 /nfs/dbraw/zinc/61/81/56/828618156.db2.gz VPYAIYIRTZAERP-ZDUSSCGKSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCOC ZINC001284669326 828618163 /nfs/dbraw/zinc/61/81/63/828618163.db2.gz VPYAIYIRTZAERP-ZDUSSCGKSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528061 824193861 /nfs/dbraw/zinc/19/38/61/824193861.db2.gz GGTQPBUMZOFMRW-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197528061 824193864 /nfs/dbraw/zinc/19/38/64/824193864.db2.gz GGTQPBUMZOFMRW-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528061 824193868 /nfs/dbraw/zinc/19/38/68/824193868.db2.gz GGTQPBUMZOFMRW-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528061 824193874 /nfs/dbraw/zinc/19/38/74/824193874.db2.gz GGTQPBUMZOFMRW-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198020421 824213554 /nfs/dbraw/zinc/21/35/54/824213554.db2.gz MGWORVNTTGAUKW-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198020421 824213563 /nfs/dbraw/zinc/21/35/63/824213563.db2.gz MGWORVNTTGAUKW-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198020421 824213570 /nfs/dbraw/zinc/21/35/70/824213570.db2.gz MGWORVNTTGAUKW-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198020421 824213578 /nfs/dbraw/zinc/21/35/78/824213578.db2.gz MGWORVNTTGAUKW-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200114347 824306261 /nfs/dbraw/zinc/30/62/61/824306261.db2.gz CPTIOULLDQLWKJ-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182311 824311675 /nfs/dbraw/zinc/31/16/75/824311675.db2.gz PLLQCWGDYZCBMP-ZIAGYGMSSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182311 824311678 /nfs/dbraw/zinc/31/16/78/824311678.db2.gz PLLQCWGDYZCBMP-ZIAGYGMSSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057240 824341151 /nfs/dbraw/zinc/34/11/51/824341151.db2.gz FUHCLOYZYYVFCX-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732336 824885823 /nfs/dbraw/zinc/88/58/23/824885823.db2.gz SGDNDJHVJYEBFT-MCIONIFRSA-N 2 1 299.390 -0.149 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804058 824896469 /nfs/dbraw/zinc/89/64/69/824896469.db2.gz LVBKIDUOORVOMB-HZSPNIEDSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804058 824896480 /nfs/dbraw/zinc/89/64/80/824896480.db2.gz LVBKIDUOORVOMB-HZSPNIEDSA-N 2 1 279.384 -0.489 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220868453 825115698 /nfs/dbraw/zinc/11/56/98/825115698.db2.gz KITSCAVDJHJBPL-RYUDHWBXSA-N 3 1 286.445 -0.228 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220868453 825115702 /nfs/dbraw/zinc/11/57/02/825115702.db2.gz KITSCAVDJHJBPL-RYUDHWBXSA-N 2 1 286.445 -0.228 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220868453 825115706 /nfs/dbraw/zinc/11/57/06/825115706.db2.gz KITSCAVDJHJBPL-RYUDHWBXSA-N 2 1 286.445 -0.228 20 30 CBEDMP C=CCN1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220868453 825115710 /nfs/dbraw/zinc/11/57/10/825115710.db2.gz KITSCAVDJHJBPL-RYUDHWBXSA-N 2 1 286.445 -0.228 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220868257 825115944 /nfs/dbraw/zinc/11/59/44/825115944.db2.gz FRAXTNWVSYCSOI-NWDGAFQWSA-N 2 1 297.403 -0.471 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220868757 825117402 /nfs/dbraw/zinc/11/74/02/825117402.db2.gz RXCLEDMTXLZGDQ-VNHYZAJKSA-N 2 1 278.400 -0.296 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220868818 825117598 /nfs/dbraw/zinc/11/75/98/825117598.db2.gz VNHDEIWAJFCQTE-XDQVBPFNSA-N 2 1 278.400 -0.297 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220868634 825117731 /nfs/dbraw/zinc/11/77/31/825117731.db2.gz MYAYKPDJOQPVJX-GXTWGEPZSA-N 2 1 266.389 -0.166 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001246000775 825619755 /nfs/dbraw/zinc/61/97/55/825619755.db2.gz MDVCAGSYJMGKLF-JSGCOSHPSA-N 3 1 285.388 -0.473 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001246000092 825620001 /nfs/dbraw/zinc/62/00/01/825620001.db2.gz KQVYMTOBVQYTRW-DZGCQCFKSA-N 3 1 299.415 -0.083 20 30 CBEDMP N#C[C@H]1CC[C@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246820215 825716034 /nfs/dbraw/zinc/71/60/34/825716034.db2.gz JNNHIGRDXWVZJM-KBPBESRZSA-N 2 1 265.405 -0.237 20 30 CBEDMP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001251861041 825798301 /nfs/dbraw/zinc/79/83/01/825798301.db2.gz ZEIKTMAWJYKNCX-HZSPNIEDSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001251861041 825798308 /nfs/dbraw/zinc/79/83/08/825798308.db2.gz ZEIKTMAWJYKNCX-HZSPNIEDSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001251861041 825798313 /nfs/dbraw/zinc/79/83/13/825798313.db2.gz ZEIKTMAWJYKNCX-HZSPNIEDSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001251887905 825802678 /nfs/dbraw/zinc/80/26/78/825802678.db2.gz MBZYPQCKXXUIRY-AWEZNQCLSA-N 2 1 269.389 -0.776 20 30 CBEDMP C=CCOC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252488197 825872155 /nfs/dbraw/zinc/87/21/55/825872155.db2.gz HSAGCDRMBDWGJD-ZDUSSCGKSA-N 2 1 285.388 -0.696 20 30 CBEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001253587265 825917202 /nfs/dbraw/zinc/91/72/02/825917202.db2.gz KCPASGZVUXKCGF-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001253587265 825917211 /nfs/dbraw/zinc/91/72/11/825917211.db2.gz KCPASGZVUXKCGF-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264079070 826797973 /nfs/dbraw/zinc/79/79/73/826797973.db2.gz WZMNACUFPJGDKC-LSDHHAIUSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001264079070 826797975 /nfs/dbraw/zinc/79/79/75/826797975.db2.gz WZMNACUFPJGDKC-LSDHHAIUSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001264079070 826797981 /nfs/dbraw/zinc/79/79/81/826797981.db2.gz WZMNACUFPJGDKC-LSDHHAIUSA-N 2 1 293.411 -0.001 20 30 CBEDMP CC#CC[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001266897187 827078440 /nfs/dbraw/zinc/07/84/40/827078440.db2.gz FNUSJCCOUHWKQF-UHFFFAOYSA-N 2 1 267.373 -0.220 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001266928214 827088212 /nfs/dbraw/zinc/08/82/12/827088212.db2.gz QBJFDSZJCBCTPY-RYUDHWBXSA-N 2 1 282.388 -0.523 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266930135 827089634 /nfs/dbraw/zinc/08/96/34/827089634.db2.gz OPJWRERWISBTSS-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266930135 827089639 /nfs/dbraw/zinc/08/96/39/827089639.db2.gz OPJWRERWISBTSS-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267189551 827124621 /nfs/dbraw/zinc/12/46/21/827124621.db2.gz XBSDJLYAZIRBSE-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267189551 827124624 /nfs/dbraw/zinc/12/46/24/827124624.db2.gz XBSDJLYAZIRBSE-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267189551 827124626 /nfs/dbraw/zinc/12/46/26/827124626.db2.gz XBSDJLYAZIRBSE-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267189551 827124629 /nfs/dbraw/zinc/12/46/29/827124629.db2.gz XBSDJLYAZIRBSE-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268642742 827389781 /nfs/dbraw/zinc/38/97/81/827389781.db2.gz UNQYWVCGXCIEMY-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268642742 827389789 /nfs/dbraw/zinc/38/97/89/827389789.db2.gz UNQYWVCGXCIEMY-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268673946 827399099 /nfs/dbraw/zinc/39/90/99/827399099.db2.gz IHOVHROKAWRUGN-NEPJUHHUSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268673946 827399110 /nfs/dbraw/zinc/39/91/10/827399110.db2.gz IHOVHROKAWRUGN-NEPJUHHUSA-N 2 1 255.362 -0.013 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268675120 827400073 /nfs/dbraw/zinc/40/00/73/827400073.db2.gz XBKXVRFVEVSJFA-LLVKDONJSA-N 2 1 291.355 -0.965 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC ZINC001268690909 827404019 /nfs/dbraw/zinc/40/40/19/827404019.db2.gz VEWMMMWERQUQMC-MJBXVCDLSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC ZINC001268690909 827404023 /nfs/dbraw/zinc/40/40/23/827404023.db2.gz VEWMMMWERQUQMC-MJBXVCDLSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001269540996 827517866 /nfs/dbraw/zinc/51/78/66/827517866.db2.gz UCHPSJYJKKLVDT-LBPRGKRZSA-N 2 1 265.357 -0.421 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001272443922 827798368 /nfs/dbraw/zinc/79/83/68/827798368.db2.gz QSXHZLTUFKVSME-UONOGXRCSA-N 2 1 281.400 -0.049 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001272519639 827811168 /nfs/dbraw/zinc/81/11/68/827811168.db2.gz CSWNCUDLRNHHGD-CHWSQXEVSA-N 2 1 269.389 -0.029 20 30 CBEDMP C=C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273880315 827935662 /nfs/dbraw/zinc/93/56/62/827935662.db2.gz AHXWJBXNCIGPTF-DZGCQCFKSA-N 2 1 297.399 -0.602 20 30 CBEDMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273928407 827942610 /nfs/dbraw/zinc/94/26/10/827942610.db2.gz NFPSHTDARXCCPW-SZZPACECSA-N 2 1 265.357 -0.398 20 30 CBEDMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273928407 827942616 /nfs/dbraw/zinc/94/26/16/827942616.db2.gz NFPSHTDARXCCPW-SZZPACECSA-N 2 1 265.357 -0.398 20 30 CBEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275098338 828055860 /nfs/dbraw/zinc/05/58/60/828055860.db2.gz CPYLLACIDYDJPR-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1CCC[NH+]1C ZINC001275520592 828095571 /nfs/dbraw/zinc/09/55/71/828095571.db2.gz ILZNDZOSIDQDGR-VXGBXAGGSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1CCC[NH+]1C ZINC001275520592 828095577 /nfs/dbraw/zinc/09/55/77/828095577.db2.gz ILZNDZOSIDQDGR-VXGBXAGGSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275520592 828095582 /nfs/dbraw/zinc/09/55/82/828095582.db2.gz ILZNDZOSIDQDGR-VXGBXAGGSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275520592 828095587 /nfs/dbraw/zinc/09/55/87/828095587.db2.gz ILZNDZOSIDQDGR-VXGBXAGGSA-N 2 1 295.387 -0.843 20 30 CBEDMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275529706 828097258 /nfs/dbraw/zinc/09/72/58/828097258.db2.gz XGYXHRZZZBVKAY-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275529710 828097168 /nfs/dbraw/zinc/09/71/68/828097168.db2.gz XGYXHRZZZBVKAY-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275529710 828097174 /nfs/dbraw/zinc/09/71/74/828097174.db2.gz XGYXHRZZZBVKAY-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275529710 828097181 /nfs/dbraw/zinc/09/71/81/828097181.db2.gz XGYXHRZZZBVKAY-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275529710 828097185 /nfs/dbraw/zinc/09/71/85/828097185.db2.gz XGYXHRZZZBVKAY-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275529706 828097266 /nfs/dbraw/zinc/09/72/66/828097266.db2.gz XGYXHRZZZBVKAY-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275529706 828097273 /nfs/dbraw/zinc/09/72/73/828097273.db2.gz XGYXHRZZZBVKAY-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275529706 828097280 /nfs/dbraw/zinc/09/72/80/828097280.db2.gz XGYXHRZZZBVKAY-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275529712 828097488 /nfs/dbraw/zinc/09/74/88/828097488.db2.gz XGYXHRZZZBVKAY-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275529712 828097496 /nfs/dbraw/zinc/09/74/96/828097496.db2.gz XGYXHRZZZBVKAY-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275529712 828097502 /nfs/dbraw/zinc/09/75/02/828097502.db2.gz XGYXHRZZZBVKAY-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275529712 828097512 /nfs/dbraw/zinc/09/75/12/828097512.db2.gz XGYXHRZZZBVKAY-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001275639229 828105947 /nfs/dbraw/zinc/10/59/47/828105947.db2.gz UDLNXVHIIBXWAW-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001275639229 828105949 /nfs/dbraw/zinc/10/59/49/828105949.db2.gz UDLNXVHIIBXWAW-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001275800800 828116248 /nfs/dbraw/zinc/11/62/48/828116248.db2.gz LFSAETMGXWHXBF-KGLIPLIRSA-N 2 1 297.399 -0.597 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001275919750 828122779 /nfs/dbraw/zinc/12/27/79/828122779.db2.gz FWFFSTYICGMNBZ-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001275919750 828122782 /nfs/dbraw/zinc/12/27/82/828122782.db2.gz FWFFSTYICGMNBZ-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001277027658 828173269 /nfs/dbraw/zinc/17/32/69/828173269.db2.gz FKHPLQVNDCXSMO-LLVKDONJSA-N 2 1 251.330 -0.811 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001277027658 828173272 /nfs/dbraw/zinc/17/32/72/828173272.db2.gz FKHPLQVNDCXSMO-LLVKDONJSA-N 2 1 251.330 -0.811 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278736940 828278423 /nfs/dbraw/zinc/27/84/23/828278423.db2.gz DQERIBIAUARWPT-NWDGAFQWSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001278736941 828278621 /nfs/dbraw/zinc/27/86/21/828278621.db2.gz DQERIBIAUARWPT-RYUDHWBXSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278826228 828294016 /nfs/dbraw/zinc/29/40/16/828294016.db2.gz BAZCFUATIPIMPM-STQMWFEESA-N 2 1 267.373 -0.630 20 30 CBEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001278849275 828296794 /nfs/dbraw/zinc/29/67/94/828296794.db2.gz AVPRBRZGYQFZCZ-STQMWFEESA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001278849275 828296802 /nfs/dbraw/zinc/29/68/02/828296802.db2.gz AVPRBRZGYQFZCZ-STQMWFEESA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278849275 828296809 /nfs/dbraw/zinc/29/68/09/828296809.db2.gz AVPRBRZGYQFZCZ-STQMWFEESA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278849275 828296816 /nfs/dbraw/zinc/29/68/16/828296816.db2.gz AVPRBRZGYQFZCZ-STQMWFEESA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001278849274 828297722 /nfs/dbraw/zinc/29/77/22/828297722.db2.gz AVPRBRZGYQFZCZ-QWHCGFSZSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001278849274 828297727 /nfs/dbraw/zinc/29/77/27/828297727.db2.gz AVPRBRZGYQFZCZ-QWHCGFSZSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278849274 828297733 /nfs/dbraw/zinc/29/77/33/828297733.db2.gz AVPRBRZGYQFZCZ-QWHCGFSZSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278849274 828297736 /nfs/dbraw/zinc/29/77/36/828297736.db2.gz AVPRBRZGYQFZCZ-QWHCGFSZSA-N 2 1 285.388 -0.746 20 30 CBEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001331112453 886680587 /nfs/dbraw/zinc/68/05/87/886680587.db2.gz YSRFHCZVAODTPA-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001331788583 886981244 /nfs/dbraw/zinc/98/12/44/886981244.db2.gz WOVXDAUWKRJGTP-UONOGXRCSA-N 2 1 297.399 -0.955 20 30 CBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001336734626 888858822 /nfs/dbraw/zinc/85/88/22/888858822.db2.gz XSZWMOANMWNMKL-OLZOCXBDSA-N 2 1 254.378 -0.266 20 30 CBEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001336734627 888859655 /nfs/dbraw/zinc/85/96/55/888859655.db2.gz XSZWMOANMWNMKL-QWHCGFSZSA-N 2 1 254.378 -0.266 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329202505 885964243 /nfs/dbraw/zinc/96/42/43/885964243.db2.gz KYRJKTFYPPETET-VXGBXAGGSA-N 2 1 297.403 -0.551 20 30 CBEDMP C=CC[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H](C)COC ZINC001329924877 886277718 /nfs/dbraw/zinc/27/77/18/886277718.db2.gz BWEGVGDGUHDFMS-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H](C)COC ZINC001329924877 886277738 /nfs/dbraw/zinc/27/77/38/886277738.db2.gz BWEGVGDGUHDFMS-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(N)=O ZINC001330835313 886587891 /nfs/dbraw/zinc/58/78/91/886587891.db2.gz JXCFVLYIVVUTOW-OLZOCXBDSA-N 2 1 294.399 -0.556 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(N)=O ZINC001330835313 886587900 /nfs/dbraw/zinc/58/79/00/886587900.db2.gz JXCFVLYIVVUTOW-OLZOCXBDSA-N 2 1 294.399 -0.556 20 30 CBEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001331112453 886680586 /nfs/dbraw/zinc/68/05/86/886680586.db2.gz YSRFHCZVAODTPA-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001331112453 886680579 /nfs/dbraw/zinc/68/05/79/886680579.db2.gz YSRFHCZVAODTPA-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001331112453 886680580 /nfs/dbraw/zinc/68/05/80/886680580.db2.gz YSRFHCZVAODTPA-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001331287699 886763616 /nfs/dbraw/zinc/76/36/16/886763616.db2.gz GMJHIHYMEBNTRF-GJZGRUSLSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001331287699 886763624 /nfs/dbraw/zinc/76/36/24/886763624.db2.gz GMJHIHYMEBNTRF-GJZGRUSLSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331630784 886873656 /nfs/dbraw/zinc/87/36/56/886873656.db2.gz JQFCRXRMFYVAES-STQMWFEESA-N 2 1 296.415 -0.323 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001331739341 886948369 /nfs/dbraw/zinc/94/83/69/886948369.db2.gz IOFGZPKMWFZFJI-NSHDSACASA-N 2 1 294.355 -0.560 20 30 CBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001331788584 886981379 /nfs/dbraw/zinc/98/13/79/886981379.db2.gz WOVXDAUWKRJGTP-ZIAGYGMSSA-N 2 1 297.399 -0.955 20 30 CBEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331787390 886982526 /nfs/dbraw/zinc/98/25/26/886982526.db2.gz IFKRLMYABBNHSE-STQMWFEESA-N 2 1 269.389 -0.029 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332606632 887372432 /nfs/dbraw/zinc/37/24/32/887372432.db2.gz OYISEEDWJFQNSJ-GFCCVEGCSA-N 2 1 266.345 -0.214 20 30 CBEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)CCC ZINC001332679134 887403597 /nfs/dbraw/zinc/40/35/97/887403597.db2.gz VHNSUJUZBMUNNO-CYBMUJFWSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)CCC ZINC001332679134 887403602 /nfs/dbraw/zinc/40/36/02/887403602.db2.gz VHNSUJUZBMUNNO-CYBMUJFWSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)CCC ZINC001332679134 887403591 /nfs/dbraw/zinc/40/35/91/887403591.db2.gz VHNSUJUZBMUNNO-CYBMUJFWSA-N 2 1 269.389 -0.288 20 30 CBEDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001338505024 889170998 /nfs/dbraw/zinc/17/09/98/889170998.db2.gz IKBWCQJZXJPOSB-YPMHNXCESA-N 2 1 253.346 -0.303 20 30 CBEDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001338505024 889171000 /nfs/dbraw/zinc/17/10/00/889171000.db2.gz IKBWCQJZXJPOSB-YPMHNXCESA-N 2 1 253.346 -0.303 20 30 CBEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001338505023 889171009 /nfs/dbraw/zinc/17/10/09/889171009.db2.gz IKBWCQJZXJPOSB-WCQYABFASA-N 2 1 253.346 -0.303 20 30 CBEDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001338505023 889171011 /nfs/dbraw/zinc/17/10/11/889171011.db2.gz IKBWCQJZXJPOSB-WCQYABFASA-N 2 1 253.346 -0.303 20 30 CBEDMP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001340041934 889370455 /nfs/dbraw/zinc/37/04/55/889370455.db2.gz PQGOHSQHUJDRSB-CYBMUJFWSA-N 2 1 296.415 -0.003 20 30 CBEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001346250238 890250910 /nfs/dbraw/zinc/25/09/10/890250910.db2.gz CISOYZHKVKNRQE-HZPDHXFCSA-N 2 1 296.411 -0.034 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001348199528 890571539 /nfs/dbraw/zinc/57/15/39/890571539.db2.gz GQHSWFXPJLLGMB-QLFBSQMISA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001348199528 890571548 /nfs/dbraw/zinc/57/15/48/890571548.db2.gz GQHSWFXPJLLGMB-QLFBSQMISA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001348199528 890571556 /nfs/dbraw/zinc/57/15/56/890571556.db2.gz GQHSWFXPJLLGMB-QLFBSQMISA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)C1 ZINC001348199528 890571564 /nfs/dbraw/zinc/57/15/64/890571564.db2.gz GQHSWFXPJLLGMB-QLFBSQMISA-N 2 1 290.411 -0.412 20 30 CBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001401565837 902169072 /nfs/dbraw/zinc/16/90/72/902169072.db2.gz VTGBYOGHRHCKFB-WDEREUQCSA-N 2 1 275.780 -0.100 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC ZINC001507484960 921845121 /nfs/dbraw/zinc/84/51/21/921845121.db2.gz NWENSJWKPPXFPW-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC ZINC001507484960 921845133 /nfs/dbraw/zinc/84/51/33/921845133.db2.gz NWENSJWKPPXFPW-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056208 921533535 /nfs/dbraw/zinc/53/35/35/921533535.db2.gz BYIDFGPURRKVSM-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056208 921533549 /nfs/dbraw/zinc/53/35/49/921533549.db2.gz BYIDFGPURRKVSM-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001506994159 921649977 /nfs/dbraw/zinc/64/99/77/921649977.db2.gz YMMDDVWRWCWXTI-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507064444 921666746 /nfs/dbraw/zinc/66/67/46/921666746.db2.gz VNFCCVGPPQVKFA-OLZOCXBDSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001507182159 921718885 /nfs/dbraw/zinc/71/88/85/921718885.db2.gz HJBFXWKNHLLHET-NEPJUHHUSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507233721 921769159 /nfs/dbraw/zinc/76/91/59/921769159.db2.gz TYUFVYZXJOKLSU-VXGBXAGGSA-N 2 1 253.346 -0.972 20 30 CBEDMP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001479919899 916216816 /nfs/dbraw/zinc/21/68/16/916216816.db2.gz RPQBDSXGOUIJRM-CQSZACIVSA-N 2 1 293.415 -0.272 20 30 CBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001479919899 916216831 /nfs/dbraw/zinc/21/68/31/916216831.db2.gz RPQBDSXGOUIJRM-CQSZACIVSA-N 2 1 293.415 -0.272 20 30 CBEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482087312 917048730 /nfs/dbraw/zinc/04/87/30/917048730.db2.gz LHUFDJNNWHORNO-UONOGXRCSA-N 2 1 297.399 -0.691 20 30 CBEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482087312 917048747 /nfs/dbraw/zinc/04/87/47/917048747.db2.gz LHUFDJNNWHORNO-UONOGXRCSA-N 2 1 297.399 -0.691 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482267129 917108481 /nfs/dbraw/zinc/10/84/81/917108481.db2.gz RFQAEANERNHNMA-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482650365 917195442 /nfs/dbraw/zinc/19/54/42/917195442.db2.gz VKNPDIQNAJSEPH-AWEZNQCLSA-N 2 1 281.400 -0.022 20 30 CBEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482650365 917195451 /nfs/dbraw/zinc/19/54/51/917195451.db2.gz VKNPDIQNAJSEPH-AWEZNQCLSA-N 2 1 281.400 -0.022 20 30 CBEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482650365 917195456 /nfs/dbraw/zinc/19/54/56/917195456.db2.gz VKNPDIQNAJSEPH-AWEZNQCLSA-N 2 1 281.400 -0.022 20 30 CBEDMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483457866 917565325 /nfs/dbraw/zinc/56/53/25/917565325.db2.gz VNUQLFSNSYXXLP-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483457866 917565337 /nfs/dbraw/zinc/56/53/37/917565337.db2.gz VNUQLFSNSYXXLP-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001483456197 917567501 /nfs/dbraw/zinc/56/75/01/917567501.db2.gz PIVPMFHNAGHRLN-ZDUSSCGKSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC ZINC001483470653 917575770 /nfs/dbraw/zinc/57/57/70/917575770.db2.gz AVAXWTLOTVPQDZ-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC ZINC001483470653 917575780 /nfs/dbraw/zinc/57/57/80/917575780.db2.gz AVAXWTLOTVPQDZ-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484191301 917748550 /nfs/dbraw/zinc/74/85/50/917748550.db2.gz OXZMQBULGQBVDB-CYBMUJFWSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239089 917784533 /nfs/dbraw/zinc/78/45/33/917784533.db2.gz QZYTWVCZEVOOSI-CYBMUJFWSA-N 2 1 253.346 -0.876 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484252611 917792868 /nfs/dbraw/zinc/79/28/68/917792868.db2.gz VUVQNRFORDYPME-CQSZACIVSA-N 2 1 265.357 -0.732 20 30 CBEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484478565 917865691 /nfs/dbraw/zinc/86/56/91/917865691.db2.gz UQUHGWMFVNGBFL-LBPRGKRZSA-N 2 1 255.362 -0.323 20 30 CBEDMP C#CCC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001484493870 917877154 /nfs/dbraw/zinc/87/71/54/917877154.db2.gz MCNJVUZWDGCKPR-CQSZACIVSA-N 2 1 281.400 -0.238 20 30 CBEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484872311 917955120 /nfs/dbraw/zinc/95/51/20/917955120.db2.gz YTIOFRTUAMYEQT-ZDUSSCGKSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001485390350 918104806 /nfs/dbraw/zinc/10/48/06/918104806.db2.gz ZDYNLMWLUNVAHH-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001485390350 918104810 /nfs/dbraw/zinc/10/48/10/918104810.db2.gz ZDYNLMWLUNVAHH-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001485390350 918104813 /nfs/dbraw/zinc/10/48/13/918104813.db2.gz ZDYNLMWLUNVAHH-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001485390350 918104816 /nfs/dbraw/zinc/10/48/16/918104816.db2.gz ZDYNLMWLUNVAHH-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001486332782 918438688 /nfs/dbraw/zinc/43/86/88/918438688.db2.gz IZVHPPYZDHKNKY-KBPBESRZSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001486332782 918438694 /nfs/dbraw/zinc/43/86/94/918438694.db2.gz IZVHPPYZDHKNKY-KBPBESRZSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486332782 918438705 /nfs/dbraw/zinc/43/87/05/918438705.db2.gz IZVHPPYZDHKNKY-KBPBESRZSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486332782 918438715 /nfs/dbraw/zinc/43/87/15/918438715.db2.gz IZVHPPYZDHKNKY-KBPBESRZSA-N 2 1 299.415 -0.356 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001493581716 919584089 /nfs/dbraw/zinc/58/40/89/919584089.db2.gz XVLTVBVEMXYEAL-UHFFFAOYSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCC[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001493733559 919612560 /nfs/dbraw/zinc/61/25/60/919612560.db2.gz WYAKIBONGLLZER-UHFFFAOYSA-N 2 1 267.373 -0.220 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496978446 920190744 /nfs/dbraw/zinc/19/07/44/920190744.db2.gz CRDQNALOIZQYPB-FRRDWIJNSA-N 2 1 269.389 -0.031 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001497911611 920420685 /nfs/dbraw/zinc/42/06/85/920420685.db2.gz ZCHHNRYBOLSYSA-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001497991424 920434602 /nfs/dbraw/zinc/43/46/02/920434602.db2.gz QNOOCWAOVHRRIY-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001497991424 920434616 /nfs/dbraw/zinc/43/46/16/920434616.db2.gz QNOOCWAOVHRRIY-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001498054600 920462068 /nfs/dbraw/zinc/46/20/68/920462068.db2.gz ADPSPIZNXKFOMM-AVGNSLFASA-N 2 1 292.383 -0.933 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001498054600 920462079 /nfs/dbraw/zinc/46/20/79/920462079.db2.gz ADPSPIZNXKFOMM-AVGNSLFASA-N 2 1 292.383 -0.933 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001498197478 920514948 /nfs/dbraw/zinc/51/49/48/920514948.db2.gz MZKTXYFUPWPRBX-QWHCGFSZSA-N 2 1 296.415 -0.441 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001499935071 920784502 /nfs/dbraw/zinc/78/45/02/920784502.db2.gz SKWWZQIXBCUHPK-AWEZNQCLSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001500722985 920865557 /nfs/dbraw/zinc/86/55/57/920865557.db2.gz YTVGHLXRHVKLOZ-MRXNPFEDSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500762217 920878674 /nfs/dbraw/zinc/87/86/74/920878674.db2.gz DSGIJRZCFZCQQG-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500762217 920878691 /nfs/dbraw/zinc/87/86/91/920878691.db2.gz DSGIJRZCFZCQQG-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500762217 920878708 /nfs/dbraw/zinc/87/87/08/920878708.db2.gz DSGIJRZCFZCQQG-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762912 920881250 /nfs/dbraw/zinc/88/12/50/920881250.db2.gz RFKBFBBXUDWZDC-CQSZACIVSA-N 2 1 267.373 -0.179 20 30 CBEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501364441 920979908 /nfs/dbraw/zinc/97/99/08/920979908.db2.gz NHKRUVKONRJXLE-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501364441 920979921 /nfs/dbraw/zinc/97/99/21/920979921.db2.gz NHKRUVKONRJXLE-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501364441 920979935 /nfs/dbraw/zinc/97/99/35/920979935.db2.gz NHKRUVKONRJXLE-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507602810 921885463 /nfs/dbraw/zinc/88/54/63/921885463.db2.gz IRKRZZVMPGIULK-KGLIPLIRSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507602810 921885464 /nfs/dbraw/zinc/88/54/64/921885464.db2.gz IRKRZZVMPGIULK-KGLIPLIRSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507602810 921885466 /nfs/dbraw/zinc/88/54/66/921885466.db2.gz IRKRZZVMPGIULK-KGLIPLIRSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507602810 921885468 /nfs/dbraw/zinc/88/54/68/921885468.db2.gz IRKRZZVMPGIULK-KGLIPLIRSA-N 2 1 299.415 -0.356 20 30 CBEDMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001520969004 922329166 /nfs/dbraw/zinc/32/91/66/922329166.db2.gz HRFNITHRRUOZPJ-STQMWFEESA-N 2 1 291.399 -0.521 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001521690657 922371939 /nfs/dbraw/zinc/37/19/39/922371939.db2.gz CIPCAFUADRVTHJ-ZDUSSCGKSA-N 2 1 258.325 -0.223 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001556282644 924050211 /nfs/dbraw/zinc/05/02/11/924050211.db2.gz NZTMKNWQZNSFRO-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CCOCC1 ZINC000090064932 351737354 /nfs/dbraw/zinc/73/73/54/351737354.db2.gz OCQZEBSRKJWJQU-QWHCGFSZSA-N 2 1 282.388 -0.113 20 30 CBEDMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)N1CCOCC1 ZINC000090064932 351737356 /nfs/dbraw/zinc/73/73/56/351737356.db2.gz OCQZEBSRKJWJQU-QWHCGFSZSA-N 2 1 282.388 -0.113 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000328136736 352783087 /nfs/dbraw/zinc/78/30/87/352783087.db2.gz YNEYKPQSNMJFLW-ZDUSSCGKSA-N 2 1 295.343 -0.303 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000328136736 352783089 /nfs/dbraw/zinc/78/30/89/352783089.db2.gz YNEYKPQSNMJFLW-ZDUSSCGKSA-N 2 1 295.343 -0.303 20 30 CBEDMP O[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](O)C2)C1 ZINC000341836225 353217302 /nfs/dbraw/zinc/21/73/02/353217302.db2.gz PZBYDECJPIGSDD-KBPBESRZSA-N 2 1 252.358 -0.097 20 30 CBEDMP O[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](O)C2)C1 ZINC000341836225 353217304 /nfs/dbraw/zinc/21/73/04/353217304.db2.gz PZBYDECJPIGSDD-KBPBESRZSA-N 2 1 252.358 -0.097 20 30 CBEDMP OCC[NH+](CC#CC[N@H+](CCO)C1CC1)C1CC1 ZINC000351618329 353476548 /nfs/dbraw/zinc/47/65/48/353476548.db2.gz IBIKHNZGHUXPJH-UHFFFAOYSA-N 2 1 252.358 -0.097 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362826297 353668529 /nfs/dbraw/zinc/66/85/29/353668529.db2.gz MKCFIKPKMYDUFF-QWHCGFSZSA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362826297 353668531 /nfs/dbraw/zinc/66/85/31/353668531.db2.gz MKCFIKPKMYDUFF-QWHCGFSZSA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436058760 354255955 /nfs/dbraw/zinc/25/59/55/354255955.db2.gz ZHFCUPXCGMMQBA-LBPRGKRZSA-N 2 1 282.388 -0.392 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436058760 354255957 /nfs/dbraw/zinc/25/59/57/354255957.db2.gz ZHFCUPXCGMMQBA-LBPRGKRZSA-N 2 1 282.388 -0.392 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000490781111 354447119 /nfs/dbraw/zinc/44/71/19/354447119.db2.gz WGUIRCNSKMBIOZ-CQSZACIVSA-N 2 1 279.384 -0.532 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+](CC)CCCO)CC1 ZINC000490781022 354447232 /nfs/dbraw/zinc/44/72/32/354447232.db2.gz UHMNJONPLNFWQL-UHFFFAOYSA-N 2 1 267.373 -0.532 20 30 CBEDMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000567875698 354802664 /nfs/dbraw/zinc/80/26/64/354802664.db2.gz JHLVNOAXQXPIOZ-STQMWFEESA-N 2 1 279.340 -0.532 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600735038 355564400 /nfs/dbraw/zinc/56/44/00/355564400.db2.gz JNAXUGBEEPPSLY-SNVBAGLBSA-N 2 1 272.349 -0.706 20 30 CBEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072738 220199843 /nfs/dbraw/zinc/19/98/43/220199843.db2.gz YIWLJCVBRHYQMQ-UHFFFAOYSA-N 2 1 298.387 -0.172 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131588277 220212381 /nfs/dbraw/zinc/21/23/81/220212381.db2.gz CKIILJRSVXDSQB-UWVGGRQHSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131588277 220212386 /nfs/dbraw/zinc/21/23/86/220212386.db2.gz CKIILJRSVXDSQB-UWVGGRQHSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236029 373778723 /nfs/dbraw/zinc/77/87/23/373778723.db2.gz RNKQGXFQCRDYLC-CHWSQXEVSA-N 2 1 294.399 -0.440 20 30 CBEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236030 373778740 /nfs/dbraw/zinc/77/87/40/373778740.db2.gz RNKQGXFQCRDYLC-OLZOCXBDSA-N 2 1 294.399 -0.440 20 30 CBEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000261975503 220245992 /nfs/dbraw/zinc/24/59/92/220245992.db2.gz FWOODOVRZPTSPI-LBPRGKRZSA-N 2 1 270.377 -0.256 20 30 CBEDMP C[NH+]=C(NCc1nncn1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262767430 220257866 /nfs/dbraw/zinc/25/78/66/220257866.db2.gz JLYJHGNCEIZDHQ-JTQLQIEISA-N 2 1 277.376 -0.283 20 30 CBEDMP C[NH+]=C(NCc1nncn1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262767430 220257870 /nfs/dbraw/zinc/25/78/70/220257870.db2.gz JLYJHGNCEIZDHQ-JTQLQIEISA-N 2 1 277.376 -0.283 20 30 CBEDMP C[NH+]=C(NCCn1cncn1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262840159 220258284 /nfs/dbraw/zinc/25/82/84/220258284.db2.gz XESFFWIQXAQRGP-LLVKDONJSA-N 2 1 277.376 -0.320 20 30 CBEDMP C[NH+]=C(NCCn1cncn1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262840159 220258286 /nfs/dbraw/zinc/25/82/86/220258286.db2.gz XESFFWIQXAQRGP-LLVKDONJSA-N 2 1 277.376 -0.320 20 30 CBEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000329238937 220332477 /nfs/dbraw/zinc/33/24/77/220332477.db2.gz LOGJJFKPNWQJBA-STQMWFEESA-N 2 1 284.404 -0.007 20 30 CBEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000329238937 220332480 /nfs/dbraw/zinc/33/24/80/220332480.db2.gz LOGJJFKPNWQJBA-STQMWFEESA-N 2 1 284.404 -0.007 20 30 CBEDMP CN1CCO[C@H](CNC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000329442930 220338715 /nfs/dbraw/zinc/33/87/15/220338715.db2.gz KMLMROMERSGTJN-CHWSQXEVSA-N 2 1 299.419 -0.934 20 30 CBEDMP CC[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000330749607 220361811 /nfs/dbraw/zinc/36/18/11/220361811.db2.gz UKNQZDWBCMESHP-LBPRGKRZSA-N 2 1 271.409 -0.313 20 30 CBEDMP CC[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330749607 220361813 /nfs/dbraw/zinc/36/18/13/220361813.db2.gz UKNQZDWBCMESHP-LBPRGKRZSA-N 2 1 271.409 -0.313 20 30 CBEDMP CC[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330749607 220361816 /nfs/dbraw/zinc/36/18/16/220361816.db2.gz UKNQZDWBCMESHP-LBPRGKRZSA-N 2 1 271.409 -0.313 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CC[NH+](C)C1 ZINC000262275206 276170432 /nfs/dbraw/zinc/17/04/32/276170432.db2.gz HVFUBDHXEHDDEU-TZMCWYRMSA-N 3 1 283.420 -0.558 20 30 CBEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000262275206 276170435 /nfs/dbraw/zinc/17/04/35/276170435.db2.gz HVFUBDHXEHDDEU-TZMCWYRMSA-N 3 1 283.420 -0.558 20 30 CBEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000262275206 276170437 /nfs/dbraw/zinc/17/04/37/276170437.db2.gz HVFUBDHXEHDDEU-TZMCWYRMSA-N 3 1 283.420 -0.558 20 30 CBEDMP C[C@@H]1C[C@H](O)C[NH+]1CC#CC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000341905778 278031655 /nfs/dbraw/zinc/03/16/55/278031655.db2.gz CRIRAWSLIYXEPA-LVEBTZEWSA-N 2 1 252.358 -0.100 20 30 CBEDMP C[C@@H]1C[C@H](O)C[N@H+]1CC#CC[NH+]1C[C@H](O)C[C@@H]1C ZINC000341905778 278031657 /nfs/dbraw/zinc/03/16/57/278031657.db2.gz CRIRAWSLIYXEPA-LVEBTZEWSA-N 2 1 252.358 -0.100 20 30 CBEDMP C[C@@H]1C[C@H](O)C[N@@H+]1CC#CC[NH+]1C[C@H](O)C[C@@H]1C ZINC000341905778 278031658 /nfs/dbraw/zinc/03/16/58/278031658.db2.gz CRIRAWSLIYXEPA-LVEBTZEWSA-N 2 1 252.358 -0.100 20 30 CBEDMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000563145003 327929779 /nfs/dbraw/zinc/92/97/79/327929779.db2.gz YMRNTOLOZOSIQI-KGLIPLIRSA-N 2 1 293.367 -0.338 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000491384883 332202063 /nfs/dbraw/zinc/20/20/63/332202063.db2.gz PXYZBUBHPAXOLB-GFCCVEGCSA-N 2 1 252.362 -0.022 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000491753012 332328522 /nfs/dbraw/zinc/32/85/22/332328522.db2.gz NLWXNQIMFUGNEX-ZDUSSCGKSA-N 2 1 281.404 -0.856 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719712 333006310 /nfs/dbraw/zinc/00/63/10/333006310.db2.gz SDUWZTCMUAZFID-AWEZNQCLSA-N 2 1 280.416 -0.306 20 30 CBEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000517030552 333090358 /nfs/dbraw/zinc/09/03/58/333090358.db2.gz QFUXUQJMMLSQKF-HUUCEWRRSA-N 2 1 298.431 -0.371 20 30 CBEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000517030552 333090360 /nfs/dbraw/zinc/09/03/60/333090360.db2.gz QFUXUQJMMLSQKF-HUUCEWRRSA-N 2 1 298.431 -0.371 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCO)CC1 ZINC000183920622 333123565 /nfs/dbraw/zinc/12/35/65/333123565.db2.gz IJOOEYHULDOYAV-UHFFFAOYSA-N 2 1 281.400 -0.238 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000187295617 333169236 /nfs/dbraw/zinc/16/92/36/333169236.db2.gz AQIQFBIPENMILM-AWEZNQCLSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000187295617 333169237 /nfs/dbraw/zinc/16/92/37/333169237.db2.gz AQIQFBIPENMILM-AWEZNQCLSA-N 2 1 293.411 -0.143 20 30 CBEDMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000567875695 334770900 /nfs/dbraw/zinc/77/09/00/334770900.db2.gz JHLVNOAXQXPIOZ-CHWSQXEVSA-N 2 1 279.340 -0.532 20 30 CBEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104172386 582113201 /nfs/dbraw/zinc/11/32/01/582113201.db2.gz TZXZCNMRWARTDT-AWEZNQCLSA-N 2 1 297.447 -0.045 20 30 CBEDMP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104172386 582113202 /nfs/dbraw/zinc/11/32/02/582113202.db2.gz TZXZCNMRWARTDT-AWEZNQCLSA-N 3 1 297.447 -0.045 20 30 CBEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104172386 582113203 /nfs/dbraw/zinc/11/32/03/582113203.db2.gz TZXZCNMRWARTDT-AWEZNQCLSA-N 3 1 297.447 -0.045 20 30 CBEDMP C#CCNC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000747966251 582287116 /nfs/dbraw/zinc/28/71/16/582287116.db2.gz VLGSGIGJUHKCBW-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000801544174 582424684 /nfs/dbraw/zinc/42/46/84/582424684.db2.gz BTODXYAZYAIMGL-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC000818595556 582512411 /nfs/dbraw/zinc/51/24/11/582512411.db2.gz ANPCIKVFTKOIQX-UHFFFAOYSA-N 2 1 267.373 -0.220 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC000818595556 582512414 /nfs/dbraw/zinc/51/24/14/582512414.db2.gz ANPCIKVFTKOIQX-UHFFFAOYSA-N 2 1 267.373 -0.220 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831091651 582956506 /nfs/dbraw/zinc/95/65/06/582956506.db2.gz AJCMDIASZPTWDX-CYBMUJFWSA-N 2 1 252.362 -0.007 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)CC1 ZINC000838624774 583151893 /nfs/dbraw/zinc/15/18/93/583151893.db2.gz DOHMKGCDNHTKJK-UHFFFAOYSA-N 2 1 252.362 -0.102 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)CC1 ZINC000838624774 583151895 /nfs/dbraw/zinc/15/18/95/583151895.db2.gz DOHMKGCDNHTKJK-UHFFFAOYSA-N 2 1 252.362 -0.102 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000840504262 583165769 /nfs/dbraw/zinc/16/57/69/583165769.db2.gz PCCZIRWAKGBHLS-LBPRGKRZSA-N 2 1 283.372 -0.333 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000840504258 583165797 /nfs/dbraw/zinc/16/57/97/583165797.db2.gz PCCZIRWAKGBHLS-GFCCVEGCSA-N 2 1 283.372 -0.333 20 30 CBEDMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000844195535 583260634 /nfs/dbraw/zinc/26/06/34/583260634.db2.gz WVIVHDCEEYBKCT-CHWSQXEVSA-N 2 1 279.388 -0.758 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000846515172 583373330 /nfs/dbraw/zinc/37/33/30/583373330.db2.gz HNJKZTICVAEMAP-OAHLLOKOSA-N 2 1 291.395 -0.391 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000846515172 583373333 /nfs/dbraw/zinc/37/33/33/583373333.db2.gz HNJKZTICVAEMAP-OAHLLOKOSA-N 2 1 291.395 -0.391 20 30 CBEDMP C[C@H](CNC1=[NH+]C[C@@H](C)N1)CN1CC[NH+](C)CC1 ZINC000848994715 583465412 /nfs/dbraw/zinc/46/54/12/583465412.db2.gz YIZFJCJKVVWVMV-VXGBXAGGSA-N 2 1 253.394 -0.193 20 30 CBEDMP CN1CC[NH+]=C1NCCCN1CCC[N@@H+](C)CC1 ZINC000848999994 583465760 /nfs/dbraw/zinc/46/57/60/583465760.db2.gz DGJVUWACTNCBFU-UHFFFAOYSA-N 2 1 253.394 -0.095 20 30 CBEDMP CN1CC[NH+]=C1NCCC[N@@H+]1CCCN(C)CC1 ZINC000848999994 583465763 /nfs/dbraw/zinc/46/57/63/583465763.db2.gz DGJVUWACTNCBFU-UHFFFAOYSA-N 2 1 253.394 -0.095 20 30 CBEDMP CN1CC[NH+]=C1NCCC[N@H+]1CCCN(C)CC1 ZINC000848999994 583465765 /nfs/dbraw/zinc/46/57/65/583465765.db2.gz DGJVUWACTNCBFU-UHFFFAOYSA-N 2 1 253.394 -0.095 20 30 CBEDMP C[C@H]1C[NH+]=C(NCCCN2CCC[N@@H+](C)CC2)N1 ZINC000849000438 583466003 /nfs/dbraw/zinc/46/60/03/583466003.db2.gz TYEZEEYOBSYBID-LBPRGKRZSA-N 2 1 253.394 -0.049 20 30 CBEDMP C[C@H]1C[NH+]=C(NCCC[N@@H+]2CCCN(C)CC2)N1 ZINC000849000438 583466004 /nfs/dbraw/zinc/46/60/04/583466004.db2.gz TYEZEEYOBSYBID-LBPRGKRZSA-N 2 1 253.394 -0.049 20 30 CBEDMP C[C@H]1C[NH+]=C(NCCC[N@H+]2CCCN(C)CC2)N1 ZINC000849000438 583466009 /nfs/dbraw/zinc/46/60/09/583466009.db2.gz TYEZEEYOBSYBID-LBPRGKRZSA-N 2 1 253.394 -0.049 20 30 CBEDMP C[NH+]=C(NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)NC1CC1 ZINC000849000312 583466090 /nfs/dbraw/zinc/46/60/90/583466090.db2.gz ROLMJZIGHAPDFV-LLVKDONJSA-N 2 1 281.404 -0.099 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713073 583780666 /nfs/dbraw/zinc/78/06/66/583780666.db2.gz YUUXWPUNSUIDNT-ZNMIVQPWSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861713073 583780668 /nfs/dbraw/zinc/78/06/68/583780668.db2.gz YUUXWPUNSUIDNT-ZNMIVQPWSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861713073 583780669 /nfs/dbraw/zinc/78/06/69/583780669.db2.gz YUUXWPUNSUIDNT-ZNMIVQPWSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861713073 583780671 /nfs/dbraw/zinc/78/06/71/583780671.db2.gz YUUXWPUNSUIDNT-ZNMIVQPWSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000875623791 584111876 /nfs/dbraw/zinc/11/18/76/584111876.db2.gz VYKUCVIVWDDWCM-ZDUSSCGKSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875623791 584111877 /nfs/dbraw/zinc/11/18/77/584111877.db2.gz VYKUCVIVWDDWCM-ZDUSSCGKSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000875623791 584111879 /nfs/dbraw/zinc/11/18/79/584111879.db2.gz VYKUCVIVWDDWCM-ZDUSSCGKSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865671 584219338 /nfs/dbraw/zinc/21/93/38/584219338.db2.gz MOECTNAHOQQREM-CQSZACIVSA-N 2 1 267.373 -0.486 20 30 CBEDMP C[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884240880 584369580 /nfs/dbraw/zinc/36/95/80/584369580.db2.gz HNBXUOJVNPDIHW-LXVYMNJGSA-N 2 1 262.357 -0.100 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000890361542 584547885 /nfs/dbraw/zinc/54/78/85/584547885.db2.gz UFMONOKNFGZRBR-UONOGXRCSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000890361542 584547886 /nfs/dbraw/zinc/54/78/86/584547886.db2.gz UFMONOKNFGZRBR-UONOGXRCSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000890361542 584547889 /nfs/dbraw/zinc/54/78/89/584547889.db2.gz UFMONOKNFGZRBR-UONOGXRCSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000890361542 584547891 /nfs/dbraw/zinc/54/78/91/584547891.db2.gz UFMONOKNFGZRBR-UONOGXRCSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C)C1 ZINC000890369195 584549433 /nfs/dbraw/zinc/54/94/33/584549433.db2.gz SCXJLMZBHJARAN-GFCCVEGCSA-N 2 1 252.362 -0.055 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C)C1 ZINC000890369195 584549435 /nfs/dbraw/zinc/54/94/35/584549435.db2.gz SCXJLMZBHJARAN-GFCCVEGCSA-N 2 1 252.362 -0.055 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000900657881 584819372 /nfs/dbraw/zinc/81/93/72/584819372.db2.gz CKUALGIXFAZMLE-CYBMUJFWSA-N 2 1 268.405 -0.144 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812333 584828781 /nfs/dbraw/zinc/82/87/81/584828781.db2.gz VDZWFWZQSHIHSP-STQMWFEESA-N 2 1 268.405 -0.145 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970763593 612962643 /nfs/dbraw/zinc/96/26/43/612962643.db2.gz SKZDSLPHRREIHB-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970763593 612962645 /nfs/dbraw/zinc/96/26/45/612962645.db2.gz SKZDSLPHRREIHB-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373546 613036215 /nfs/dbraw/zinc/03/62/15/613036215.db2.gz HFZFIPZGKXXOKX-GJZGRUSLSA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958474328 613044505 /nfs/dbraw/zinc/04/45/05/613044505.db2.gz JWGLNEDMQULPED-RQJABVFESA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958474328 613044507 /nfs/dbraw/zinc/04/45/07/613044507.db2.gz JWGLNEDMQULPED-RQJABVFESA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474328 613044508 /nfs/dbraw/zinc/04/45/08/613044508.db2.gz JWGLNEDMQULPED-RQJABVFESA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474328 613044509 /nfs/dbraw/zinc/04/45/09/613044509.db2.gz JWGLNEDMQULPED-RQJABVFESA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC000968954814 613196797 /nfs/dbraw/zinc/19/67/97/613196797.db2.gz SOOIXWJZHVZZEO-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC000968954814 613196798 /nfs/dbraw/zinc/19/67/98/613196798.db2.gz SOOIXWJZHVZZEO-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374928 613614844 /nfs/dbraw/zinc/61/48/44/613614844.db2.gz PRSXHFAYYOJTGF-HUUCEWRRSA-N 2 1 293.411 -0.240 20 30 CBEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960529785 613637453 /nfs/dbraw/zinc/63/74/53/613637453.db2.gz UYWYLAQBFXXWCK-QMIVOQANSA-N 2 1 291.395 -0.225 20 30 CBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960529785 613637454 /nfs/dbraw/zinc/63/74/54/613637454.db2.gz UYWYLAQBFXXWCK-QMIVOQANSA-N 2 1 291.395 -0.225 20 30 CBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960529785 613637456 /nfs/dbraw/zinc/63/74/56/613637456.db2.gz UYWYLAQBFXXWCK-QMIVOQANSA-N 2 1 291.395 -0.225 20 30 CBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960529785 613637457 /nfs/dbraw/zinc/63/74/57/613637457.db2.gz UYWYLAQBFXXWCK-QMIVOQANSA-N 2 1 291.395 -0.225 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912599393 657287238 /nfs/dbraw/zinc/28/72/38/657287238.db2.gz JMOLCFQAZWJTSI-UHFFFAOYSA-N 2 1 257.378 -0.123 20 30 CBEDMP CCN(CC)C(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912713 656083088 /nfs/dbraw/zinc/08/30/88/656083088.db2.gz YKZMQPVMPZUGEQ-UHFFFAOYSA-N 2 1 269.393 -0.193 20 30 CBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262255159 656129746 /nfs/dbraw/zinc/12/97/46/656129746.db2.gz DTDQHHPXURZEQA-NEPJUHHUSA-N 2 1 269.393 -0.685 20 30 CBEDMP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262348656 656131423 /nfs/dbraw/zinc/13/14/23/656131423.db2.gz YKVNZYGAPNHUJT-SNVBAGLBSA-N 2 1 267.377 -0.524 20 30 CBEDMP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262348656 656131426 /nfs/dbraw/zinc/13/14/26/656131426.db2.gz YKVNZYGAPNHUJT-SNVBAGLBSA-N 2 1 267.377 -0.524 20 30 CBEDMP C=CCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303374346 656138948 /nfs/dbraw/zinc/13/89/48/656138948.db2.gz NAXRFPFPSVPXEA-GFCCVEGCSA-N 2 1 253.394 -0.040 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303792189 656139402 /nfs/dbraw/zinc/13/94/02/656139402.db2.gz YFSBBGPGMUOJLG-NSHDSACASA-N 2 1 267.377 -0.346 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@@H+](C)C1 ZINC000303882723 656139781 /nfs/dbraw/zinc/13/97/81/656139781.db2.gz IJAFAFIWNKFGBU-CYBMUJFWSA-N 2 1 283.420 -0.565 20 30 CBEDMP CC[N@@H+](CCNC(NCCN1CCOCC1)=[NH+]C)C1CC1 ZINC000303972483 656140044 /nfs/dbraw/zinc/14/00/44/656140044.db2.gz FUNXPWRKEFHBQJ-UHFFFAOYSA-N 2 1 297.447 -0.032 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000305076244 656141315 /nfs/dbraw/zinc/14/13/15/656141315.db2.gz LCMFFAURFOCUEU-IJLUTSLNSA-N 2 1 297.403 -0.592 20 30 CBEDMP C#CCC[NH+]1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878314419 656250373 /nfs/dbraw/zinc/25/03/73/656250373.db2.gz VCEOUGUMPBSYFQ-UHFFFAOYSA-N 2 1 292.427 -0.162 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000899733814 656304850 /nfs/dbraw/zinc/30/48/50/656304850.db2.gz JXHFFZHHPHKZHM-LBPRGKRZSA-N 2 1 253.346 -0.876 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000899733814 656304846 /nfs/dbraw/zinc/30/48/46/656304846.db2.gz JXHFFZHHPHKZHM-LBPRGKRZSA-N 2 1 253.346 -0.876 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899733814 656304847 /nfs/dbraw/zinc/30/48/47/656304847.db2.gz JXHFFZHHPHKZHM-LBPRGKRZSA-N 2 1 253.346 -0.876 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000899733814 656304849 /nfs/dbraw/zinc/30/48/49/656304849.db2.gz JXHFFZHHPHKZHM-LBPRGKRZSA-N 2 1 253.346 -0.876 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905276000 656347632 /nfs/dbraw/zinc/34/76/32/656347632.db2.gz ULJBEOWUXUJWAB-UONOGXRCSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905276000 656347636 /nfs/dbraw/zinc/34/76/36/656347636.db2.gz ULJBEOWUXUJWAB-UONOGXRCSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905275995 656347892 /nfs/dbraw/zinc/34/78/92/656347892.db2.gz ULJBEOWUXUJWAB-KBPBESRZSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905275995 656347890 /nfs/dbraw/zinc/34/78/90/656347890.db2.gz ULJBEOWUXUJWAB-KBPBESRZSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998923568 656593861 /nfs/dbraw/zinc/59/38/61/656593861.db2.gz QXKSGAZSLZLCEC-BPCQOVAHSA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000998923568 656593877 /nfs/dbraw/zinc/59/38/77/656593877.db2.gz QXKSGAZSLZLCEC-BPCQOVAHSA-N 2 1 292.383 -0.852 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897039 657355128 /nfs/dbraw/zinc/35/51/28/657355128.db2.gz RGJBCUORKJTXKG-UHFFFAOYSA-N 2 1 283.372 -0.331 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897039 657355138 /nfs/dbraw/zinc/35/51/38/657355138.db2.gz RGJBCUORKJTXKG-UHFFFAOYSA-N 2 1 283.372 -0.331 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000913524022 657492273 /nfs/dbraw/zinc/49/22/73/657492273.db2.gz WQRVJJVDPZIZEN-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000913524572 657492698 /nfs/dbraw/zinc/49/26/98/657492698.db2.gz SDYHSTHUOBWIDA-AAEUAGOBSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001018664087 657836569 /nfs/dbraw/zinc/83/65/69/657836569.db2.gz YBULSKLGNVWEGM-NWDGAFQWSA-N 2 1 253.346 -0.307 20 30 CBEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001018664087 657836571 /nfs/dbraw/zinc/83/65/71/657836571.db2.gz YBULSKLGNVWEGM-NWDGAFQWSA-N 2 1 253.346 -0.307 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018985046 657855814 /nfs/dbraw/zinc/85/58/14/657855814.db2.gz JBAFDDQXQBTILA-STQMWFEESA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018985046 657855820 /nfs/dbraw/zinc/85/58/20/657855820.db2.gz JBAFDDQXQBTILA-STQMWFEESA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001018986160 657856603 /nfs/dbraw/zinc/85/66/03/657856603.db2.gz SOOIXWJZHVZZEO-IHRRRGAJSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001018986160 657856605 /nfs/dbraw/zinc/85/66/05/657856605.db2.gz SOOIXWJZHVZZEO-IHRRRGAJSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020405982 658047209 /nfs/dbraw/zinc/04/72/09/658047209.db2.gz HJHKTZIGBQXSQX-NTTUHNMPSA-N 2 1 289.379 -0.280 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503971 658311315 /nfs/dbraw/zinc/31/13/15/658311315.db2.gz NDKQBWGWIFCEQD-GHMZBOCLSA-N 2 1 268.361 -0.085 20 30 CBEDMP C#CC[N@H+](C)CCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925314173 658822813 /nfs/dbraw/zinc/82/28/13/658822813.db2.gz RQQXPXLARREVBZ-NSHDSACASA-N 2 1 266.345 -0.577 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000928647659 659056857 /nfs/dbraw/zinc/05/68/57/659056857.db2.gz IKEVLWYNMIQJSC-UKRRQHHQSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCO)CC2)CC1 ZINC000989734728 659611719 /nfs/dbraw/zinc/61/17/19/659611719.db2.gz AOJGYSQYWCBSBD-UHFFFAOYSA-N 2 1 293.411 -0.142 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[NH+]1CCCC1 ZINC000170907797 790413014 /nfs/dbraw/zinc/41/30/14/790413014.db2.gz ITKMJPHNHZRTJJ-UHFFFAOYSA-N 3 1 283.420 -0.291 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121605 790992303 /nfs/dbraw/zinc/99/23/03/790992303.db2.gz GTZASFHZCATQBJ-RFQIPJPRSA-N 2 1 277.368 -0.280 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022221931 790998697 /nfs/dbraw/zinc/99/86/97/790998697.db2.gz RUFNFKKJDOMYMD-XQQFMLRXSA-N 2 1 265.357 -0.687 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022221931 790998708 /nfs/dbraw/zinc/99/87/08/790998708.db2.gz RUFNFKKJDOMYMD-XQQFMLRXSA-N 2 1 265.357 -0.687 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022220524 790997719 /nfs/dbraw/zinc/99/77/19/790997719.db2.gz IGHQLUJHBYNRID-RVMXOQNASA-N 2 1 292.383 -0.805 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022220524 790997728 /nfs/dbraw/zinc/99/77/28/790997728.db2.gz IGHQLUJHBYNRID-RVMXOQNASA-N 2 1 292.383 -0.805 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299823 805716530 /nfs/dbraw/zinc/71/65/30/805716530.db2.gz PMLOIUPQKXDXFL-ZIAGYGMSSA-N 2 1 291.395 -0.201 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299823 805716534 /nfs/dbraw/zinc/71/65/34/805716534.db2.gz PMLOIUPQKXDXFL-ZIAGYGMSSA-N 2 1 291.395 -0.201 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474978 806338555 /nfs/dbraw/zinc/33/85/55/806338555.db2.gz KSQOKQKOSRYVTF-YJNKXOJESA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474978 806338561 /nfs/dbraw/zinc/33/85/61/806338561.db2.gz KSQOKQKOSRYVTF-YJNKXOJESA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474978 806338569 /nfs/dbraw/zinc/33/85/69/806338569.db2.gz KSQOKQKOSRYVTF-YJNKXOJESA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474978 806338577 /nfs/dbraw/zinc/33/85/77/806338577.db2.gz KSQOKQKOSRYVTF-YJNKXOJESA-N 2 1 293.411 -0.099 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749023 806421845 /nfs/dbraw/zinc/42/18/45/806421845.db2.gz CKBHWWKPLSGYQM-OLZOCXBDSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749023 806421852 /nfs/dbraw/zinc/42/18/52/806421852.db2.gz CKBHWWKPLSGYQM-OLZOCXBDSA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCO)CC1 ZINC001085986636 806632854 /nfs/dbraw/zinc/63/28/54/806632854.db2.gz JOKLLRDJDDRCMG-OAHLLOKOSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629248 799155880 /nfs/dbraw/zinc/15/58/80/799155880.db2.gz HXIYXAPQBLMTFY-HZSPNIEDSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629248 799155883 /nfs/dbraw/zinc/15/58/83/799155883.db2.gz HXIYXAPQBLMTFY-HZSPNIEDSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629248 799155884 /nfs/dbraw/zinc/15/58/84/799155884.db2.gz HXIYXAPQBLMTFY-HZSPNIEDSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629248 799155886 /nfs/dbraw/zinc/15/58/86/799155886.db2.gz HXIYXAPQBLMTFY-HZSPNIEDSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001029004019 799186034 /nfs/dbraw/zinc/18/60/34/799186034.db2.gz RZGUMXODXJSDEQ-CQSZACIVSA-N 2 1 293.411 -0.238 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688856 799533327 /nfs/dbraw/zinc/53/33/27/799533327.db2.gz MRHOECXDNNEISV-CABCVRRESA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324729 801833552 /nfs/dbraw/zinc/83/35/52/801833552.db2.gz VZEQGSIOUUNQHZ-RDBSUJKOSA-N 2 1 279.384 -0.393 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047324729 801833560 /nfs/dbraw/zinc/83/35/60/801833560.db2.gz VZEQGSIOUUNQHZ-RDBSUJKOSA-N 2 1 279.384 -0.393 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047324729 801833570 /nfs/dbraw/zinc/83/35/70/801833570.db2.gz VZEQGSIOUUNQHZ-RDBSUJKOSA-N 2 1 279.384 -0.393 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381206 801858136 /nfs/dbraw/zinc/85/81/36/801858136.db2.gz HGQRIGVYNMJMCO-ILXRZTDVSA-N 2 1 291.395 -0.535 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381206 801858140 /nfs/dbraw/zinc/85/81/40/801858140.db2.gz HGQRIGVYNMJMCO-ILXRZTDVSA-N 2 1 291.395 -0.535 20 30 CBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384929 801858338 /nfs/dbraw/zinc/85/83/38/801858338.db2.gz OCVADSGJWWGONF-KBXIAJHMSA-N 2 1 293.411 -0.147 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384929 801858351 /nfs/dbraw/zinc/85/83/51/801858351.db2.gz OCVADSGJWWGONF-KBXIAJHMSA-N 2 1 293.411 -0.147 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047384929 801858356 /nfs/dbraw/zinc/85/83/56/801858356.db2.gz OCVADSGJWWGONF-KBXIAJHMSA-N 2 1 293.411 -0.147 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047384929 801858363 /nfs/dbraw/zinc/85/83/63/801858363.db2.gz OCVADSGJWWGONF-KBXIAJHMSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459159 801877200 /nfs/dbraw/zinc/87/72/00/801877200.db2.gz NKMXCRRWASKCGH-KBPBESRZSA-N 2 1 290.367 -0.282 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459159 801877202 /nfs/dbraw/zinc/87/72/02/801877202.db2.gz NKMXCRRWASKCGH-KBPBESRZSA-N 2 1 290.367 -0.282 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047500760 801887745 /nfs/dbraw/zinc/88/77/45/801887745.db2.gz HWOHTSFBVQTBME-AJNGGQMLSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047500760 801887752 /nfs/dbraw/zinc/88/77/52/801887752.db2.gz HWOHTSFBVQTBME-AJNGGQMLSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500760 801887760 /nfs/dbraw/zinc/88/77/60/801887760.db2.gz HWOHTSFBVQTBME-AJNGGQMLSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500760 801887767 /nfs/dbraw/zinc/88/77/67/801887767.db2.gz HWOHTSFBVQTBME-AJNGGQMLSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047595365 801908254 /nfs/dbraw/zinc/90/82/54/801908254.db2.gz BRCBTFWNOMWGKU-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047595365 801908259 /nfs/dbraw/zinc/90/82/59/801908259.db2.gz BRCBTFWNOMWGKU-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047595365 801908262 /nfs/dbraw/zinc/90/82/62/801908262.db2.gz BRCBTFWNOMWGKU-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047595365 801908264 /nfs/dbraw/zinc/90/82/64/801908264.db2.gz BRCBTFWNOMWGKU-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739891 801960133 /nfs/dbraw/zinc/96/01/33/801960133.db2.gz QBKCLINOQIUJKD-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739891 801960137 /nfs/dbraw/zinc/96/01/37/801960137.db2.gz QBKCLINOQIUJKD-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739891 801960142 /nfs/dbraw/zinc/96/01/42/801960142.db2.gz QBKCLINOQIUJKD-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739891 801960146 /nfs/dbraw/zinc/96/01/46/801960146.db2.gz QBKCLINOQIUJKD-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891686 801978147 /nfs/dbraw/zinc/97/81/47/801978147.db2.gz UNTUZCVXBKWJDE-APIJFGDWSA-N 2 1 291.395 -0.271 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891686 801978155 /nfs/dbraw/zinc/97/81/55/801978155.db2.gz UNTUZCVXBKWJDE-APIJFGDWSA-N 2 1 291.395 -0.271 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891686 801978161 /nfs/dbraw/zinc/97/81/61/801978161.db2.gz UNTUZCVXBKWJDE-APIJFGDWSA-N 2 1 291.395 -0.271 20 30 CBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891686 801978165 /nfs/dbraw/zinc/97/81/65/801978165.db2.gz UNTUZCVXBKWJDE-APIJFGDWSA-N 2 1 291.395 -0.271 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116427 801996948 /nfs/dbraw/zinc/99/69/48/801996948.db2.gz OXFJRNSQYIVIHS-GASCZTMLSA-N 2 1 291.395 -0.268 20 30 CBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116427 801996955 /nfs/dbraw/zinc/99/69/55/801996955.db2.gz OXFJRNSQYIVIHS-GASCZTMLSA-N 2 1 291.395 -0.268 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049227373 802008394 /nfs/dbraw/zinc/00/83/94/802008394.db2.gz WRHNQRPAEIXLLC-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049227373 802008404 /nfs/dbraw/zinc/00/84/04/802008404.db2.gz WRHNQRPAEIXLLC-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049227373 802008411 /nfs/dbraw/zinc/00/84/11/802008411.db2.gz WRHNQRPAEIXLLC-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049227373 802008420 /nfs/dbraw/zinc/00/84/20/802008420.db2.gz WRHNQRPAEIXLLC-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148655614 814955750 /nfs/dbraw/zinc/95/57/50/814955750.db2.gz PNWAHFMHCJZVGH-LBPRGKRZSA-N 2 1 282.388 -0.828 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148655840 814955883 /nfs/dbraw/zinc/95/58/83/814955883.db2.gz SRFZSJIDPUDPBY-LBPRGKRZSA-N 2 1 284.404 -0.275 20 30 CBEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001321750186 803809830 /nfs/dbraw/zinc/80/98/30/803809830.db2.gz LHWHBRIBOLZXQP-NEPJUHHUSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001321750186 803809838 /nfs/dbraw/zinc/80/98/38/803809838.db2.gz LHWHBRIBOLZXQP-NEPJUHHUSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCO ZINC001321875055 803832825 /nfs/dbraw/zinc/83/28/25/803832825.db2.gz CMSSTVUKLZJJHI-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCO ZINC001321875055 803832832 /nfs/dbraw/zinc/83/28/32/803832832.db2.gz CMSSTVUKLZJJHI-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001322280826 803884493 /nfs/dbraw/zinc/88/44/93/803884493.db2.gz KOPLCOCXIYEBFY-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001322280826 803884501 /nfs/dbraw/zinc/88/45/01/803884501.db2.gz KOPLCOCXIYEBFY-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCO)C1 ZINC001324740991 804191618 /nfs/dbraw/zinc/19/16/18/804191618.db2.gz JVTIDVSASLMDJW-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCO)C1 ZINC001324740991 804191621 /nfs/dbraw/zinc/19/16/21/804191621.db2.gz JVTIDVSASLMDJW-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001325109628 804241625 /nfs/dbraw/zinc/24/16/25/804241625.db2.gz FQLPUDKFRDHPRV-DZGCQCFKSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001325109628 804241627 /nfs/dbraw/zinc/24/16/27/804241627.db2.gz FQLPUDKFRDHPRV-DZGCQCFKSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001325109628 804241629 /nfs/dbraw/zinc/24/16/29/804241629.db2.gz FQLPUDKFRDHPRV-DZGCQCFKSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001325128293 804244530 /nfs/dbraw/zinc/24/45/30/804244530.db2.gz YIHQZNDIASWNGD-INIZCTEOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147012 815064405 /nfs/dbraw/zinc/06/44/05/815064405.db2.gz DCOKNKDJSQWCOU-LLVKDONJSA-N 2 1 293.371 -0.412 20 30 CBEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578214 805315959 /nfs/dbraw/zinc/31/59/59/805315959.db2.gz IEKLCQMWNSULRE-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578214 805315968 /nfs/dbraw/zinc/31/59/68/805315968.db2.gz IEKLCQMWNSULRE-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578214 805315977 /nfs/dbraw/zinc/31/59/77/805315977.db2.gz IEKLCQMWNSULRE-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578214 805315987 /nfs/dbraw/zinc/31/59/87/805315987.db2.gz IEKLCQMWNSULRE-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151740901 815090458 /nfs/dbraw/zinc/09/04/58/815090458.db2.gz ZGMHHTVWQGZCNZ-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151740901 815090465 /nfs/dbraw/zinc/09/04/65/815090465.db2.gz ZGMHHTVWQGZCNZ-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001152426946 815120663 /nfs/dbraw/zinc/12/06/63/815120663.db2.gz RAMVFRGGXSXHLG-CYBMUJFWSA-N 2 1 296.415 -0.181 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCO ZINC001153868711 815184719 /nfs/dbraw/zinc/18/47/19/815184719.db2.gz YCZBTTNFKNYHSG-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCO ZINC001153868711 815184722 /nfs/dbraw/zinc/18/47/22/815184722.db2.gz YCZBTTNFKNYHSG-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCO ZINC001153868711 815184727 /nfs/dbraw/zinc/18/47/27/815184727.db2.gz YCZBTTNFKNYHSG-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCO ZINC001153868711 815184730 /nfs/dbraw/zinc/18/47/30/815184730.db2.gz YCZBTTNFKNYHSG-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023882 815257579 /nfs/dbraw/zinc/25/75/79/815257579.db2.gz NPHLYJLJVBZFNV-GFCCVEGCSA-N 2 1 297.403 -0.596 20 30 CBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023882 815257583 /nfs/dbraw/zinc/25/75/83/815257583.db2.gz NPHLYJLJVBZFNV-GFCCVEGCSA-N 2 1 297.403 -0.596 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091956 810241807 /nfs/dbraw/zinc/24/18/07/810241807.db2.gz UJKAAGQGXCXHER-BARDWOONSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400623 810267274 /nfs/dbraw/zinc/26/72/74/810267274.db2.gz PCRNOCOBYONEPD-AAVRWANBSA-N 2 1 279.384 -0.177 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400623 810267276 /nfs/dbraw/zinc/26/72/76/810267276.db2.gz PCRNOCOBYONEPD-AAVRWANBSA-N 2 1 279.384 -0.177 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090815080 810569380 /nfs/dbraw/zinc/56/93/80/810569380.db2.gz MIDZRXDHMQPJCR-QWHCGFSZSA-N 2 1 267.373 -0.180 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001090969903 810583879 /nfs/dbraw/zinc/58/38/79/810583879.db2.gz GOFGGFVMACGLHW-BPCQOVAHSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001090969903 810583885 /nfs/dbraw/zinc/58/38/85/810583885.db2.gz GOFGGFVMACGLHW-BPCQOVAHSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001098449645 810847760 /nfs/dbraw/zinc/84/77/60/810847760.db2.gz FFLMHDLLJRLEKB-OAHLLOKOSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449645 810847768 /nfs/dbraw/zinc/84/77/68/810847768.db2.gz FFLMHDLLJRLEKB-OAHLLOKOSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449645 810847777 /nfs/dbraw/zinc/84/77/77/810847777.db2.gz FFLMHDLLJRLEKB-OAHLLOKOSA-N 2 1 293.411 -0.001 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989514 810986807 /nfs/dbraw/zinc/98/68/07/810986807.db2.gz RRYHLOWBMFBILB-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064121 811008523 /nfs/dbraw/zinc/00/85/23/811008523.db2.gz IJOZLHCEHCOITD-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064121 811008530 /nfs/dbraw/zinc/00/85/30/811008530.db2.gz IJOZLHCEHCOITD-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064121 811008539 /nfs/dbraw/zinc/00/85/39/811008539.db2.gz IJOZLHCEHCOITD-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074836 811014522 /nfs/dbraw/zinc/01/45/22/811014522.db2.gz UDLHEPBYGHALSH-OLZOCXBDSA-N 2 1 285.388 -0.698 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100078134 811015198 /nfs/dbraw/zinc/01/51/98/811015198.db2.gz DHGCDHUNIFLKDK-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100078134 811015206 /nfs/dbraw/zinc/01/52/06/811015206.db2.gz DHGCDHUNIFLKDK-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100078134 811015214 /nfs/dbraw/zinc/01/52/14/811015214.db2.gz DHGCDHUNIFLKDK-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100078134 811015220 /nfs/dbraw/zinc/01/52/20/811015220.db2.gz DHGCDHUNIFLKDK-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131855 811026366 /nfs/dbraw/zinc/02/63/66/811026366.db2.gz JUFRPNACFMBMGP-KBPBESRZSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131855 811026372 /nfs/dbraw/zinc/02/63/72/811026372.db2.gz JUFRPNACFMBMGP-KBPBESRZSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131855 811026377 /nfs/dbraw/zinc/02/63/77/811026377.db2.gz JUFRPNACFMBMGP-KBPBESRZSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC001120496535 812976720 /nfs/dbraw/zinc/97/67/20/812976720.db2.gz DODIYTHHOVJKFQ-UHFFFAOYSA-N 2 1 266.345 -0.351 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159882860 815602658 /nfs/dbraw/zinc/60/26/58/815602658.db2.gz JHPFVBFGHFAFNR-AWEZNQCLSA-N 2 1 291.399 -0.068 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877218 815602999 /nfs/dbraw/zinc/60/29/99/815602999.db2.gz NQTXBEIHBYPJBB-CYBMUJFWSA-N 2 1 277.372 -0.458 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124866336 813489790 /nfs/dbraw/zinc/48/97/90/813489790.db2.gz AFXQLGLKCXUEOM-VXGBXAGGSA-N 2 1 282.388 -0.523 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124879603 813494754 /nfs/dbraw/zinc/49/47/54/813494754.db2.gz XIIBAQPUMJSZDA-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785075 813748582 /nfs/dbraw/zinc/74/85/82/813748582.db2.gz FKCXYYLBYNWCOY-STQMWFEESA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC ZINC001129774833 813863184 /nfs/dbraw/zinc/86/31/84/813863184.db2.gz GZNGXDLTEPIJRN-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC ZINC001129774833 813863192 /nfs/dbraw/zinc/86/31/92/813863192.db2.gz GZNGXDLTEPIJRN-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130296965 813922627 /nfs/dbraw/zinc/92/26/27/813922627.db2.gz GCBBQCTYWDLHKM-GFCCVEGCSA-N 2 1 282.388 -0.521 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130306270 813927522 /nfs/dbraw/zinc/92/75/22/813927522.db2.gz UOKZGFZSTDIDOE-CHWSQXEVSA-N 2 1 296.415 -0.133 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525718 814037177 /nfs/dbraw/zinc/03/71/77/814037177.db2.gz HWIDAIQYBJQZCT-MBHSVXNSSA-N 2 1 265.357 -0.259 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525717 814038587 /nfs/dbraw/zinc/03/85/87/814038587.db2.gz HWIDAIQYBJQZCT-LXVYMNJGSA-N 2 1 265.357 -0.259 20 30 CBEDMP C#C[C@](C)([NH3+])C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160538679 815634045 /nfs/dbraw/zinc/63/40/45/815634045.db2.gz JVVVEGVRHPJYLJ-RNCFNFMXSA-N 2 1 259.313 -0.222 20 30 CBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161040545 815702265 /nfs/dbraw/zinc/70/22/65/815702265.db2.gz BVQKLHLANBMVCH-GFCCVEGCSA-N 2 1 295.387 -0.794 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001292493792 816455168 /nfs/dbraw/zinc/45/51/68/816455168.db2.gz AGDIYXOHAJHCPL-ZDUSSCGKSA-N 2 1 296.415 -0.192 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001316623513 816871997 /nfs/dbraw/zinc/87/19/97/816871997.db2.gz VDDCPJLXYQIUKD-OKILXGFUSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001316966454 816909030 /nfs/dbraw/zinc/90/90/30/816909030.db2.gz CQFASESLUAPVQQ-UHFFFAOYSA-N 2 1 266.389 -0.695 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986186 816917556 /nfs/dbraw/zinc/91/75/56/816917556.db2.gz LCODCSDMKNYERT-STQMWFEESA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986186 816917560 /nfs/dbraw/zinc/91/75/60/816917560.db2.gz LCODCSDMKNYERT-STQMWFEESA-N 2 1 296.415 -0.181 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001317124770 816936388 /nfs/dbraw/zinc/93/63/88/816936388.db2.gz YBAMXDCAAKXOJY-BETUJISGSA-N 2 1 294.399 -0.686 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317287760 816959278 /nfs/dbraw/zinc/95/92/78/816959278.db2.gz CVQOOWHWQGVQIV-QWHCGFSZSA-N 2 1 267.373 -0.318 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320217520 817295893 /nfs/dbraw/zinc/29/58/93/817295893.db2.gz OTBQOPJHLYEDMO-CHWSQXEVSA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166695023 820015772 /nfs/dbraw/zinc/01/57/72/820015772.db2.gz ZMDRIGRNBLRMBM-STQMWFEESA-N 2 1 294.399 -0.971 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166708804 820020052 /nfs/dbraw/zinc/02/00/52/820020052.db2.gz WPBWOPSBVIZZTO-OLZOCXBDSA-N 2 1 296.415 -0.418 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176063888 820437692 /nfs/dbraw/zinc/43/76/92/820437692.db2.gz IFNHEXRLKZHAJI-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176096488 820440033 /nfs/dbraw/zinc/44/00/33/820440033.db2.gz SDWWFMYLMQTBHD-QWHCGFSZSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181652387 820807166 /nfs/dbraw/zinc/80/71/66/820807166.db2.gz LZWBHMCBCPTCEB-OLZOCXBDSA-N 2 1 294.399 -0.427 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001183353815 820991607 /nfs/dbraw/zinc/99/16/07/820991607.db2.gz BHFSYFHULLTDPR-OLZOCXBDSA-N 2 1 292.383 -0.980 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001183353815 820991614 /nfs/dbraw/zinc/99/16/14/820991614.db2.gz BHFSYFHULLTDPR-OLZOCXBDSA-N 2 1 292.383 -0.980 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOC)C1 ZINC001183353872 820991753 /nfs/dbraw/zinc/99/17/53/820991753.db2.gz FFRPAZGJWSURMJ-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOC)C1 ZINC001183353872 820991761 /nfs/dbraw/zinc/99/17/61/820991761.db2.gz FFRPAZGJWSURMJ-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001279731235 828336578 /nfs/dbraw/zinc/33/65/78/828336578.db2.gz MZDGPSMRXJDIMM-UHFFFAOYSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C(C)C ZINC001279731739 828337445 /nfs/dbraw/zinc/33/74/45/828337445.db2.gz ZJMYRWQLBAGSOZ-AWEZNQCLSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C(C)C ZINC001279731739 828337454 /nfs/dbraw/zinc/33/74/54/828337454.db2.gz ZJMYRWQLBAGSOZ-AWEZNQCLSA-N 2 1 281.400 -0.097 20 30 CBEDMP COCC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001279792533 828338780 /nfs/dbraw/zinc/33/87/80/828338780.db2.gz XMOYXETXDGFUBT-CQSZACIVSA-N 2 1 297.399 -0.859 20 30 CBEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001281989964 828430208 /nfs/dbraw/zinc/43/02/08/828430208.db2.gz AAQBRUNKJNWIHX-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001281989964 828430214 /nfs/dbraw/zinc/43/02/14/828430214.db2.gz AAQBRUNKJNWIHX-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001283812337 828551065 /nfs/dbraw/zinc/55/10/65/828551065.db2.gz GQODTXAQGNITCN-GFCCVEGCSA-N 2 1 278.356 -0.294 20 30 CBEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515912 823764753 /nfs/dbraw/zinc/76/47/53/823764753.db2.gz CVQDWUNIBNMTLV-KBPBESRZSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515912 823764758 /nfs/dbraw/zinc/76/47/58/823764758.db2.gz CVQDWUNIBNMTLV-KBPBESRZSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515912 823764765 /nfs/dbraw/zinc/76/47/65/823764765.db2.gz CVQDWUNIBNMTLV-KBPBESRZSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515912 823764771 /nfs/dbraw/zinc/76/47/71/823764771.db2.gz CVQDWUNIBNMTLV-KBPBESRZSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193447574 824028145 /nfs/dbraw/zinc/02/81/45/824028145.db2.gz SGDNDJHVJYEBFT-BFHYXJOUSA-N 2 1 299.390 -0.149 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766319 824045957 /nfs/dbraw/zinc/04/59/57/824045957.db2.gz RXAUJUGQVYSILY-CHWSQXEVSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766319 824045964 /nfs/dbraw/zinc/04/59/64/824045964.db2.gz RXAUJUGQVYSILY-CHWSQXEVSA-N 2 1 279.384 -0.345 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791067 824046524 /nfs/dbraw/zinc/04/65/24/824046524.db2.gz DGFURGREJFZNPX-CHWSQXEVSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193791067 824046527 /nfs/dbraw/zinc/04/65/27/824046527.db2.gz DGFURGREJFZNPX-CHWSQXEVSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193791067 824046531 /nfs/dbraw/zinc/04/65/31/824046531.db2.gz DGFURGREJFZNPX-CHWSQXEVSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193791067 824046534 /nfs/dbraw/zinc/04/65/34/824046534.db2.gz DGFURGREJFZNPX-CHWSQXEVSA-N 2 1 267.373 -0.182 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791407 824046838 /nfs/dbraw/zinc/04/68/38/824046838.db2.gz LVBKIDUOORVOMB-MGPQQGTHSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791407 824046843 /nfs/dbraw/zinc/04/68/43/824046843.db2.gz LVBKIDUOORVOMB-MGPQQGTHSA-N 2 1 279.384 -0.489 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871170 824135690 /nfs/dbraw/zinc/13/56/90/824135690.db2.gz MKBBRZHJWKSFCN-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871170 824135693 /nfs/dbraw/zinc/13/56/93/824135693.db2.gz MKBBRZHJWKSFCN-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCOC ZINC001284668528 828618290 /nfs/dbraw/zinc/61/82/90/828618290.db2.gz OIGJRHOKNINPSS-UHFFFAOYSA-N 2 1 279.384 -0.220 20 30 CBEDMP C#CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCOC ZINC001284668528 828618292 /nfs/dbraw/zinc/61/82/92/828618292.db2.gz OIGJRHOKNINPSS-UHFFFAOYSA-N 2 1 279.384 -0.220 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197536114 824194000 /nfs/dbraw/zinc/19/40/00/824194000.db2.gz KDMAOBOWDZAHSV-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536114 824194003 /nfs/dbraw/zinc/19/40/03/824194003.db2.gz KDMAOBOWDZAHSV-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536114 824194007 /nfs/dbraw/zinc/19/40/07/824194007.db2.gz KDMAOBOWDZAHSV-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198029154 824215478 /nfs/dbraw/zinc/21/54/78/824215478.db2.gz ORPLVYWZWLEREG-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198029154 824215480 /nfs/dbraw/zinc/21/54/80/824215480.db2.gz ORPLVYWZWLEREG-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198029154 824215487 /nfs/dbraw/zinc/21/54/87/824215487.db2.gz ORPLVYWZWLEREG-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199096238 824247864 /nfs/dbraw/zinc/24/78/64/824247864.db2.gz NUZZTVDJRITQTK-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199096238 824247861 /nfs/dbraw/zinc/24/78/61/824247861.db2.gz NUZZTVDJRITQTK-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199096238 824247868 /nfs/dbraw/zinc/24/78/68/824247868.db2.gz NUZZTVDJRITQTK-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199096238 824247871 /nfs/dbraw/zinc/24/78/71/824247871.db2.gz NUZZTVDJRITQTK-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182303 824312118 /nfs/dbraw/zinc/31/21/18/824312118.db2.gz PLLQCWGDYZCBMP-KBPBESRZSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182303 824312119 /nfs/dbraw/zinc/31/21/19/824312119.db2.gz PLLQCWGDYZCBMP-KBPBESRZSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734868 824437299 /nfs/dbraw/zinc/43/72/99/824437299.db2.gz PUFRFGSZCCIUFU-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734868 824437302 /nfs/dbraw/zinc/43/73/02/824437302.db2.gz PUFRFGSZCCIUFU-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730150 824514639 /nfs/dbraw/zinc/51/46/39/824514639.db2.gz GCGOCDSQDUZQPS-ZIAGYGMSSA-N 2 1 299.415 -0.044 20 30 CBEDMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N(O)C(=N)c1nonc1N ZINC001218518879 824580466 /nfs/dbraw/zinc/58/04/66/824580466.db2.gz WJQBPEXFIZWFOX-ZETCQYMHSA-N 2 1 299.335 -0.746 20 30 CBEDMP N=C(c1nonc1N)N(O)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218518457 824580900 /nfs/dbraw/zinc/58/09/00/824580900.db2.gz QQNGONOKKYNMQJ-LURJTMIESA-N 2 1 285.308 -0.959 20 30 CBEDMP N#Cc1c(N)nn(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1N ZINC001218658831 824618251 /nfs/dbraw/zinc/61/82/51/824618251.db2.gz ALIHNEGSJJEFNT-SECBINFHSA-N 2 1 289.343 -0.566 20 30 CBEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218969985 824651081 /nfs/dbraw/zinc/65/10/81/824651081.db2.gz ACZJJFVAZVABIS-UONOGXRCSA-N 2 1 297.399 -0.338 20 30 CBEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218969985 824651086 /nfs/dbraw/zinc/65/10/86/824651086.db2.gz ACZJJFVAZVABIS-UONOGXRCSA-N 2 1 297.399 -0.338 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732337 824886348 /nfs/dbraw/zinc/88/63/48/824886348.db2.gz SGDNDJHVJYEBFT-MJBXVCDLSA-N 2 1 299.390 -0.149 20 30 CBEDMP C=C(C)C(=O)NCCCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220043264 824941906 /nfs/dbraw/zinc/94/19/06/824941906.db2.gz LLAWYPPZVNZJBT-UHFFFAOYSA-N 2 1 282.388 -0.473 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272149 825001323 /nfs/dbraw/zinc/00/13/23/825001323.db2.gz RAIZHFZTMXPGAS-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=C[C@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)OCC ZINC001220571567 825065901 /nfs/dbraw/zinc/06/59/01/825065901.db2.gz URQRQEMRYRALAQ-AUTRQRHGSA-N 2 1 255.318 -0.714 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688557 825087571 /nfs/dbraw/zinc/08/75/71/825087571.db2.gz KDMAOBOWDZAHSV-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688557 825087581 /nfs/dbraw/zinc/08/75/81/825087581.db2.gz KDMAOBOWDZAHSV-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688557 825087595 /nfs/dbraw/zinc/08/75/95/825087595.db2.gz KDMAOBOWDZAHSV-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799010 825103412 /nfs/dbraw/zinc/10/34/12/825103412.db2.gz LKXYOJRPPODMRK-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799010 825103416 /nfs/dbraw/zinc/10/34/16/825103416.db2.gz LKXYOJRPPODMRK-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220868452 825115445 /nfs/dbraw/zinc/11/54/45/825115445.db2.gz KIRWGNTZYVFTQZ-TUAOUCFPSA-N 2 1 253.346 -0.667 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976423 825131930 /nfs/dbraw/zinc/13/19/30/825131930.db2.gz YUKWMSXTFBDZLB-MJBXVCDLSA-N 2 1 297.399 -0.698 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976423 825131932 /nfs/dbraw/zinc/13/19/32/825131932.db2.gz YUKWMSXTFBDZLB-MJBXVCDLSA-N 2 1 297.399 -0.698 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976423 825131934 /nfs/dbraw/zinc/13/19/34/825131934.db2.gz YUKWMSXTFBDZLB-MJBXVCDLSA-N 2 1 297.399 -0.698 20 30 CBEDMP C#CCOC[C@@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245989092 825618058 /nfs/dbraw/zinc/61/80/58/825618058.db2.gz XVRLYZSCKMXQEM-KBPBESRZSA-N 2 1 281.400 -0.539 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246021518 825623936 /nfs/dbraw/zinc/62/39/36/825623936.db2.gz NQXNXTFPFADLBW-CHWSQXEVSA-N 2 1 256.346 -0.827 20 30 CBEDMP C=CCOC[C@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246024664 825624527 /nfs/dbraw/zinc/62/45/27/825624527.db2.gz INQXDWNHNSGVMM-OLZOCXBDSA-N 2 1 255.362 -0.813 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246024664 825624523 /nfs/dbraw/zinc/62/45/23/825624523.db2.gz INQXDWNHNSGVMM-OLZOCXBDSA-N 2 1 255.362 -0.813 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028089 825626613 /nfs/dbraw/zinc/62/66/13/825626613.db2.gz ZUZCCXFNIWBUMN-CHWSQXEVSA-N 2 1 256.346 -0.827 20 30 CBEDMP C=C[C@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246048488 825628950 /nfs/dbraw/zinc/62/89/50/825628950.db2.gz XWJVNUXMHZGPJP-KDBYPZKRSA-N 2 1 280.368 -0.136 20 30 CBEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246820227 825716667 /nfs/dbraw/zinc/71/66/67/825716667.db2.gz JNNHIGRDXWVZJM-ZIAGYGMSSA-N 2 1 265.405 -0.237 20 30 CBEDMP C#CCOC[C@H](O)CN1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001251844407 825793777 /nfs/dbraw/zinc/79/37/77/825793777.db2.gz RIPNTSNYIPGHFX-RRFJBIMHSA-N 2 1 282.384 -0.350 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001251844407 825793781 /nfs/dbraw/zinc/79/37/81/825793781.db2.gz RIPNTSNYIPGHFX-RRFJBIMHSA-N 2 1 282.384 -0.350 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001251844407 825793783 /nfs/dbraw/zinc/79/37/83/825793783.db2.gz RIPNTSNYIPGHFX-RRFJBIMHSA-N 2 1 282.384 -0.350 20 30 CBEDMP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001252488045 825873074 /nfs/dbraw/zinc/87/30/74/825873074.db2.gz DXCWNBJXFBCDQU-ZDUSSCGKSA-N 2 1 258.362 -0.404 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001265264460 826864162 /nfs/dbraw/zinc/86/41/62/826864162.db2.gz QJIHSAREAHAQRH-OAHLLOKOSA-N 2 1 292.427 -0.305 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001265264460 826864171 /nfs/dbraw/zinc/86/41/71/826864171.db2.gz QJIHSAREAHAQRH-OAHLLOKOSA-N 2 1 292.427 -0.305 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001266555398 827023659 /nfs/dbraw/zinc/02/36/59/827023659.db2.gz WQPWILMOMVNFKS-AWEZNQCLSA-N 2 1 279.384 -0.078 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266585056 827027267 /nfs/dbraw/zinc/02/72/67/827027267.db2.gz SNLYGMOXRWRUDZ-JHJVBQTASA-N 2 1 265.357 -0.423 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266585056 827027274 /nfs/dbraw/zinc/02/72/74/827027274.db2.gz SNLYGMOXRWRUDZ-JHJVBQTASA-N 2 1 265.357 -0.423 20 30 CBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001266726050 827059130 /nfs/dbraw/zinc/05/91/30/827059130.db2.gz FJZIVCUOCUKMKQ-UHFFFAOYSA-N 2 1 295.387 -0.842 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001266928216 827086713 /nfs/dbraw/zinc/08/67/13/827086713.db2.gz QBJFDSZJCBCTPY-VXGBXAGGSA-N 2 1 282.388 -0.523 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266930382 827089309 /nfs/dbraw/zinc/08/93/09/827089309.db2.gz SWVVIWHDZDRTDU-QWHCGFSZSA-N 2 1 283.372 -0.939 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266930382 827089319 /nfs/dbraw/zinc/08/93/19/827089319.db2.gz SWVVIWHDZDRTDU-QWHCGFSZSA-N 2 1 283.372 -0.939 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001266954593 827097689 /nfs/dbraw/zinc/09/76/89/827097689.db2.gz VGGJMVXIYARIEZ-NSHDSACASA-N 2 1 293.371 -0.412 20 30 CBEDMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001267800062 827221848 /nfs/dbraw/zinc/22/18/48/827221848.db2.gz MLDLYFTZZAGCPH-NWDGAFQWSA-N 2 1 295.387 -0.795 20 30 CBEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268014862 827241856 /nfs/dbraw/zinc/24/18/56/827241856.db2.gz YTVFFEICKOGMNR-KBPBESRZSA-N 2 1 281.400 -0.070 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001268308991 827291882 /nfs/dbraw/zinc/29/18/82/827291882.db2.gz RBIFIUMBGZXROA-CABCVRRESA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001268308991 827291886 /nfs/dbraw/zinc/29/18/86/827291886.db2.gz RBIFIUMBGZXROA-CABCVRRESA-N 2 1 293.411 -0.049 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268329425 827303959 /nfs/dbraw/zinc/30/39/59/827303959.db2.gz UEESXSZKAYLPGM-RYUDHWBXSA-N 2 1 255.362 -0.419 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268335289 827307835 /nfs/dbraw/zinc/30/78/35/827307835.db2.gz RIRNGUQIURUPQN-UONOGXRCSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268422751 827324237 /nfs/dbraw/zinc/32/42/37/827324237.db2.gz HNFPMFAUCASSLO-OLZOCXBDSA-N 2 1 294.399 -0.828 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268641494 827388258 /nfs/dbraw/zinc/38/82/58/827388258.db2.gz INKJMVUWTKHREF-OLZOCXBDSA-N 2 1 283.372 -0.939 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268641494 827388260 /nfs/dbraw/zinc/38/82/60/827388260.db2.gz INKJMVUWTKHREF-OLZOCXBDSA-N 2 1 283.372 -0.939 20 30 CBEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272306987 827779018 /nfs/dbraw/zinc/77/90/18/827779018.db2.gz HOAWFEYRGOTVOL-CYBMUJFWSA-N 2 1 267.373 -0.628 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272503167 827808364 /nfs/dbraw/zinc/80/83/64/827808364.db2.gz BADOFBBDESAOMJ-IHRRRGAJSA-N 2 1 281.400 -0.193 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272521887 827812142 /nfs/dbraw/zinc/81/21/42/827812142.db2.gz SRIMXYTUPMZXJW-OCCSQVGLSA-N 2 1 290.367 -0.546 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001272519642 827812170 /nfs/dbraw/zinc/81/21/70/827812170.db2.gz CSWNCUDLRNHHGD-OLZOCXBDSA-N 2 1 269.389 -0.029 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272521888 827813395 /nfs/dbraw/zinc/81/33/95/827813395.db2.gz SRIMXYTUPMZXJW-TZMCWYRMSA-N 2 1 290.367 -0.546 20 30 CBEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001272585596 827825745 /nfs/dbraw/zinc/82/57/45/827825745.db2.gz WSAOTKZHQJJCPT-KBPBESRZSA-N 2 1 299.415 -0.260 20 30 CBEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001272585596 827825752 /nfs/dbraw/zinc/82/57/52/827825752.db2.gz WSAOTKZHQJJCPT-KBPBESRZSA-N 2 1 299.415 -0.260 20 30 CBEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001272585599 827826341 /nfs/dbraw/zinc/82/63/41/827826341.db2.gz WSAOTKZHQJJCPT-KGLIPLIRSA-N 2 1 299.415 -0.260 20 30 CBEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001272585599 827826354 /nfs/dbraw/zinc/82/63/54/827826354.db2.gz WSAOTKZHQJJCPT-KGLIPLIRSA-N 2 1 299.415 -0.260 20 30 CBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001273244374 827876777 /nfs/dbraw/zinc/87/67/77/827876777.db2.gz PZBQWKOQVNNQPT-UONOGXRCSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCOC ZINC001274096485 827967862 /nfs/dbraw/zinc/96/78/62/827967862.db2.gz FMNMNFGWXNKKLT-WSNITJDQSA-N 2 1 279.384 -0.008 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCOC ZINC001274096485 827967864 /nfs/dbraw/zinc/96/78/64/827967864.db2.gz FMNMNFGWXNKKLT-WSNITJDQSA-N 2 1 279.384 -0.008 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001274810145 828031787 /nfs/dbraw/zinc/03/17/87/828031787.db2.gz GMILXRDWPYCYFC-CHWSQXEVSA-N 2 1 296.415 -0.133 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001275039629 828051197 /nfs/dbraw/zinc/05/11/97/828051197.db2.gz VPWDJNJAIKHTJY-LLVKDONJSA-N 2 1 283.376 -0.939 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001277846912 828213627 /nfs/dbraw/zinc/21/36/27/828213627.db2.gz VCXJKADNOHGRGS-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001277846912 828213630 /nfs/dbraw/zinc/21/36/30/828213630.db2.gz VCXJKADNOHGRGS-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001279518668 828326497 /nfs/dbraw/zinc/32/64/97/828326497.db2.gz MGMBDGPOARAQAE-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001279518668 828326505 /nfs/dbraw/zinc/32/65/05/828326505.db2.gz MGMBDGPOARAQAE-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001279518668 828326515 /nfs/dbraw/zinc/32/65/15/828326515.db2.gz MGMBDGPOARAQAE-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001279518668 828326526 /nfs/dbraw/zinc/32/65/26/828326526.db2.gz MGMBDGPOARAQAE-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+](C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001331162304 886700927 /nfs/dbraw/zinc/70/09/27/886700927.db2.gz VRNQKKLWTNKZLW-UHFFFAOYSA-N 2 1 279.384 -0.220 20 30 CBEDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001338505021 889170817 /nfs/dbraw/zinc/17/08/17/889170817.db2.gz IKBWCQJZXJPOSB-AAEUAGOBSA-N 2 1 253.346 -0.303 20 30 CBEDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001338505021 889170825 /nfs/dbraw/zinc/17/08/25/889170825.db2.gz IKBWCQJZXJPOSB-AAEUAGOBSA-N 2 1 253.346 -0.303 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)O ZINC001328353964 885651015 /nfs/dbraw/zinc/65/10/15/885651015.db2.gz KGJQHXSUWRHORB-MJBXVCDLSA-N 2 1 281.400 -0.051 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)O ZINC001328353964 885651023 /nfs/dbraw/zinc/65/10/23/885651023.db2.gz KGJQHXSUWRHORB-MJBXVCDLSA-N 2 1 281.400 -0.051 20 30 CBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC001329425779 886059985 /nfs/dbraw/zinc/05/99/85/886059985.db2.gz AQZQGTYQFSDZIG-HNNXBMFYSA-N 2 1 298.431 -0.371 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331630779 886870900 /nfs/dbraw/zinc/87/09/00/886870900.db2.gz JQFCRXRMFYVAES-CHWSQXEVSA-N 2 1 296.415 -0.323 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001331725897 886938302 /nfs/dbraw/zinc/93/83/02/886938302.db2.gz QXRBLMKFOJPYHD-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331787387 886983352 /nfs/dbraw/zinc/98/33/52/886983352.db2.gz IFKRLMYABBNHSE-OLZOCXBDSA-N 2 1 269.389 -0.029 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332606633 887372123 /nfs/dbraw/zinc/37/21/23/887372123.db2.gz OYISEEDWJFQNSJ-LBPRGKRZSA-N 2 1 266.345 -0.214 20 30 CBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001332676440 887400968 /nfs/dbraw/zinc/40/09/68/887400968.db2.gz CDRDYXJFDRPQEZ-CQSZACIVSA-N 2 1 292.383 -0.034 20 30 CBEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676440 887400971 /nfs/dbraw/zinc/40/09/71/887400971.db2.gz CDRDYXJFDRPQEZ-CQSZACIVSA-N 2 1 292.383 -0.034 20 30 CBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676440 887400976 /nfs/dbraw/zinc/40/09/76/887400976.db2.gz CDRDYXJFDRPQEZ-CQSZACIVSA-N 2 1 292.383 -0.034 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342901884 889843014 /nfs/dbraw/zinc/84/30/14/889843014.db2.gz SPVUCJILQKFNEP-UHFFFAOYSA-N 2 1 273.340 -0.072 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001349473597 890820331 /nfs/dbraw/zinc/82/03/31/890820331.db2.gz NSTXGFKHEKAYSU-GFCCVEGCSA-N 2 1 295.387 -0.712 20 30 CBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379281750 898537578 /nfs/dbraw/zinc/53/75/78/898537578.db2.gz FGNVYBXOETUJMP-WDEREUQCSA-N 2 1 275.780 -0.243 20 30 CBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001502897697 921403642 /nfs/dbraw/zinc/40/36/42/921403642.db2.gz SXONOWPKZHTPID-UHFFFAOYSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001505488596 921431448 /nfs/dbraw/zinc/43/14/48/921431448.db2.gz HXJUTSYGBWFVDE-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001505488596 921431452 /nfs/dbraw/zinc/43/14/52/921431452.db2.gz HXJUTSYGBWFVDE-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507200132 921735507 /nfs/dbraw/zinc/73/55/07/921735507.db2.gz DOMSBOVYIVBHSP-NEPJUHHUSA-N 2 1 255.362 -0.277 20 30 CBEDMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)C1 ZINC001471630144 915604805 /nfs/dbraw/zinc/60/48/05/915604805.db2.gz LIQGCAPSKZTLIU-UONOGXRCSA-N 2 1 296.415 -0.352 20 30 CBEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001471630143 915605629 /nfs/dbraw/zinc/60/56/29/915605629.db2.gz LIQGCAPSKZTLIU-KGLIPLIRSA-N 2 1 296.415 -0.352 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480237599 916343111 /nfs/dbraw/zinc/34/31/11/916343111.db2.gz FKUSKLANMSSQBD-TXEJJXNPSA-N 2 1 295.387 -0.797 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C[C@H](O)COC ZINC001480478887 916434651 /nfs/dbraw/zinc/43/46/51/916434651.db2.gz APGMVJMSYOLKKA-IHRRRGAJSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C[C@H](O)COC ZINC001480478887 916434667 /nfs/dbraw/zinc/43/46/67/916434667.db2.gz APGMVJMSYOLKKA-IHRRRGAJSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001480597142 916488550 /nfs/dbraw/zinc/48/85/50/916488550.db2.gz ZOHZHIRCDNIBEG-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001480597142 916488554 /nfs/dbraw/zinc/48/85/54/916488554.db2.gz ZOHZHIRCDNIBEG-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC ZINC001480771402 916534317 /nfs/dbraw/zinc/53/43/17/916534317.db2.gz SJPSRRCUOMPYLV-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC ZINC001480771402 916534330 /nfs/dbraw/zinc/53/43/30/916534330.db2.gz SJPSRRCUOMPYLV-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCCO ZINC001480980467 916668901 /nfs/dbraw/zinc/66/89/01/916668901.db2.gz HTKGKHVFZPQCCE-AWEZNQCLSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCCO ZINC001480980467 916668910 /nfs/dbraw/zinc/66/89/10/916668910.db2.gz HTKGKHVFZPQCCE-AWEZNQCLSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCCO ZINC001480980467 916668919 /nfs/dbraw/zinc/66/89/19/916668919.db2.gz HTKGKHVFZPQCCE-AWEZNQCLSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCCO ZINC001480980467 916668926 /nfs/dbraw/zinc/66/89/26/916668926.db2.gz HTKGKHVFZPQCCE-AWEZNQCLSA-N 2 1 281.400 -0.096 20 30 CBEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481218003 916768350 /nfs/dbraw/zinc/76/83/50/916768350.db2.gz XAFOLIWKHGFFDV-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481218003 916768357 /nfs/dbraw/zinc/76/83/57/916768357.db2.gz XAFOLIWKHGFFDV-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481874209 917010178 /nfs/dbraw/zinc/01/01/78/917010178.db2.gz FSUIZYNTJYXGMJ-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001481876997 917010533 /nfs/dbraw/zinc/01/05/33/917010533.db2.gz YQNSOMTYVCCGDJ-NEPJUHHUSA-N 2 1 295.387 -0.938 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC ZINC001483136182 917431193 /nfs/dbraw/zinc/43/11/93/917431193.db2.gz IFUWAYVOEWUFDZ-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC ZINC001483136182 917431205 /nfs/dbraw/zinc/43/12/05/917431205.db2.gz IFUWAYVOEWUFDZ-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483257407 917496264 /nfs/dbraw/zinc/49/62/64/917496264.db2.gz HSVSOCQRKKPIOD-RYUDHWBXSA-N 2 1 295.387 -0.795 20 30 CBEDMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001483295016 917510879 /nfs/dbraw/zinc/51/08/79/917510879.db2.gz IHOVHROKAWRUGN-NWDGAFQWSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001483295016 917510887 /nfs/dbraw/zinc/51/08/87/917510887.db2.gz IHOVHROKAWRUGN-NWDGAFQWSA-N 2 1 255.362 -0.013 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483319382 917526817 /nfs/dbraw/zinc/52/68/17/917526817.db2.gz IYRVYHAGNJCYKM-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483319382 917526826 /nfs/dbraw/zinc/52/68/26/917526826.db2.gz IYRVYHAGNJCYKM-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483319382 917526838 /nfs/dbraw/zinc/52/68/38/917526838.db2.gz IYRVYHAGNJCYKM-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483319382 917526852 /nfs/dbraw/zinc/52/68/52/917526852.db2.gz IYRVYHAGNJCYKM-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483319379 917528867 /nfs/dbraw/zinc/52/88/67/917528867.db2.gz IYRVYHAGNJCYKM-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483319379 917528878 /nfs/dbraw/zinc/52/88/78/917528878.db2.gz IYRVYHAGNJCYKM-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483319379 917528886 /nfs/dbraw/zinc/52/88/86/917528886.db2.gz IYRVYHAGNJCYKM-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483319379 917528897 /nfs/dbraw/zinc/52/88/97/917528897.db2.gz IYRVYHAGNJCYKM-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484191302 917748411 /nfs/dbraw/zinc/74/84/11/917748411.db2.gz OXZMQBULGQBVDB-ZDUSSCGKSA-N 2 1 279.384 -0.174 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001484208066 917765059 /nfs/dbraw/zinc/76/50/59/917765059.db2.gz LGPUPFFPXBIVQT-ZFWWWQNUSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484208066 917765066 /nfs/dbraw/zinc/76/50/66/917765066.db2.gz LGPUPFFPXBIVQT-ZFWWWQNUSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484208066 917765070 /nfs/dbraw/zinc/76/50/70/917765070.db2.gz LGPUPFFPXBIVQT-ZFWWWQNUSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484247215 917791385 /nfs/dbraw/zinc/79/13/85/917791385.db2.gz RIWHZGAYKZFRBE-MRXNPFEDSA-N 2 1 291.395 -0.342 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001484694816 917926277 /nfs/dbraw/zinc/92/62/77/917926277.db2.gz YHVMFIRMYGRAAO-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)NCC#N ZINC001485382981 918104843 /nfs/dbraw/zinc/10/48/43/918104843.db2.gz JOKZBWLGDYMTEA-LBPRGKRZSA-N 2 1 295.387 -0.842 20 30 CBEDMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)NCC#N ZINC001485382981 918104847 /nfs/dbraw/zinc/10/48/47/918104847.db2.gz JOKZBWLGDYMTEA-LBPRGKRZSA-N 2 1 295.387 -0.842 20 30 CBEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485860466 918213678 /nfs/dbraw/zinc/21/36/78/918213678.db2.gz AYHHTKSDKPSPFC-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485860466 918213693 /nfs/dbraw/zinc/21/36/93/918213693.db2.gz AYHHTKSDKPSPFC-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485979432 918269696 /nfs/dbraw/zinc/26/96/96/918269696.db2.gz JHMIRJRLKWATTA-QWRGUYRKSA-N 2 1 275.780 -0.100 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485979432 918269713 /nfs/dbraw/zinc/26/97/13/918269713.db2.gz JHMIRJRLKWATTA-QWRGUYRKSA-N 2 1 275.780 -0.100 20 30 CBEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485981783 918269803 /nfs/dbraw/zinc/26/98/03/918269803.db2.gz FLABSKVDNJARJE-CHWSQXEVSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485981783 918269810 /nfs/dbraw/zinc/26/98/10/918269810.db2.gz FLABSKVDNJARJE-CHWSQXEVSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485994573 918288737 /nfs/dbraw/zinc/28/87/37/918288737.db2.gz BMOINIMJYFZMIZ-GRYCIOLGSA-N 2 1 255.362 -0.421 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486027682 918321065 /nfs/dbraw/zinc/32/10/65/918321065.db2.gz NVPHZEYSPDGLMQ-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486348411 918441986 /nfs/dbraw/zinc/44/19/86/918441986.db2.gz ZRPBZYJDXKKKJP-GFCCVEGCSA-N 2 1 257.378 -0.125 20 30 CBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486354381 918449074 /nfs/dbraw/zinc/44/90/74/918449074.db2.gz AWMFBZZYWDKESM-AWEZNQCLSA-N 2 1 293.411 -0.143 20 30 CBEDMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC#CCOC ZINC001494960990 919826900 /nfs/dbraw/zinc/82/69/00/919826900.db2.gz YYGMSDJLYFMLHX-UONOGXRCSA-N 2 1 297.399 -0.549 20 30 CBEDMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC#CCOC ZINC001494960990 919826910 /nfs/dbraw/zinc/82/69/10/919826910.db2.gz YYGMSDJLYFMLHX-UONOGXRCSA-N 2 1 297.399 -0.549 20 30 CBEDMP C#CC[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCOCC1 ZINC001495081677 919855256 /nfs/dbraw/zinc/85/52/56/919855256.db2.gz UQFMJDSKAQBPBM-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001496249204 920049870 /nfs/dbraw/zinc/04/98/70/920049870.db2.gz NSWIECRHNFZYGC-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495586 920310284 /nfs/dbraw/zinc/31/02/84/920310284.db2.gz JNRSQQROHDYOSF-ZDUSSCGKSA-N 2 1 294.399 -0.874 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498021695 920448088 /nfs/dbraw/zinc/44/80/88/920448088.db2.gz JFILRGJOKLKCOS-RYUDHWBXSA-N 2 1 282.388 -0.523 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOC ZINC001498054902 920464326 /nfs/dbraw/zinc/46/43/26/920464326.db2.gz FFGGCHWDJZHXLG-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOC ZINC001498054902 920464329 /nfs/dbraw/zinc/46/43/29/920464329.db2.gz FFGGCHWDJZHXLG-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001499183362 920716075 /nfs/dbraw/zinc/71/60/75/920716075.db2.gz AZKFNYBUODRPPA-GFCCVEGCSA-N 2 1 294.399 -0.379 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507487172 921849470 /nfs/dbraw/zinc/84/94/70/921849470.db2.gz HMVTZUIJPDTDBM-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001507602811 921884610 /nfs/dbraw/zinc/88/46/10/921884610.db2.gz IRKRZZVMPGIULK-UONOGXRCSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001507602811 921884622 /nfs/dbraw/zinc/88/46/22/921884622.db2.gz IRKRZZVMPGIULK-UONOGXRCSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001507602811 921884641 /nfs/dbraw/zinc/88/46/41/921884641.db2.gz IRKRZZVMPGIULK-UONOGXRCSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001507602811 921884657 /nfs/dbraw/zinc/88/46/57/921884657.db2.gz IRKRZZVMPGIULK-UONOGXRCSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507602808 921885177 /nfs/dbraw/zinc/88/51/77/921885177.db2.gz IRKRZZVMPGIULK-KBPBESRZSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507602808 921885185 /nfs/dbraw/zinc/88/51/85/921885185.db2.gz IRKRZZVMPGIULK-KBPBESRZSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507602808 921885193 /nfs/dbraw/zinc/88/51/93/921885193.db2.gz IRKRZZVMPGIULK-KBPBESRZSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507602808 921885196 /nfs/dbraw/zinc/88/51/96/921885196.db2.gz IRKRZZVMPGIULK-KBPBESRZSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001545547459 923316203 /nfs/dbraw/zinc/31/62/03/923316203.db2.gz LDCGSFXIZNSYIU-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001545547459 923316215 /nfs/dbraw/zinc/31/62/15/923316215.db2.gz LDCGSFXIZNSYIU-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000341905104 353218088 /nfs/dbraw/zinc/21/80/88/353218088.db2.gz BTVGUDZGHLNGKF-CRWXNKLISA-N 2 1 252.358 -0.385 20 30 CBEDMP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000341905104 353218090 /nfs/dbraw/zinc/21/80/90/353218090.db2.gz BTVGUDZGHLNGKF-CRWXNKLISA-N 2 1 252.358 -0.385 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362826298 353668643 /nfs/dbraw/zinc/66/86/43/353668643.db2.gz MKCFIKPKMYDUFF-STQMWFEESA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362826298 353668645 /nfs/dbraw/zinc/66/86/45/353668645.db2.gz MKCFIKPKMYDUFF-STQMWFEESA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936972 354251360 /nfs/dbraw/zinc/25/13/60/354251360.db2.gz YHDVPZSXBLVPFV-ZJUUUORDSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936972 354251363 /nfs/dbraw/zinc/25/13/63/354251363.db2.gz YHDVPZSXBLVPFV-ZJUUUORDSA-N 2 1 254.334 -0.333 20 30 CBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000591723352 355111421 /nfs/dbraw/zinc/11/14/21/355111421.db2.gz WIKMGHIRKRHWEB-ZDUSSCGKSA-N 2 1 254.378 -0.123 20 30 CBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603430705 355715319 /nfs/dbraw/zinc/71/53/19/355715319.db2.gz BTVDKNXTSCNXSA-RKDXNWHRSA-N 2 1 254.334 -0.286 20 30 CBEDMP CNC(=O)CC[NH+](C)CC#CC[N@H+](C)CCC(=O)NC ZINC000276264281 193263596 /nfs/dbraw/zinc/26/35/96/193263596.db2.gz BNGHUCWMPISSOK-UHFFFAOYSA-N 2 1 282.388 -0.874 20 30 CBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCCC1 ZINC000262345134 220249518 /nfs/dbraw/zinc/24/95/18/220249518.db2.gz ZNWWBIYHEVOVOG-GFCCVEGCSA-N 2 1 253.394 -0.097 20 30 CBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262529679 220253425 /nfs/dbraw/zinc/25/34/25/220253425.db2.gz MXINIHXDZNEFDF-GFCCVEGCSA-N 2 1 253.394 -0.063 20 30 CBEDMP CNC(=O)CNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000262727196 220255540 /nfs/dbraw/zinc/25/55/40/220255540.db2.gz AOFFZASFICHEJA-VIFPVBQESA-N 2 1 253.350 -0.866 20 30 CBEDMP CNC(=O)CNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000262727196 220255546 /nfs/dbraw/zinc/25/55/46/220255546.db2.gz AOFFZASFICHEJA-VIFPVBQESA-N 2 1 253.350 -0.866 20 30 CBEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(N)=[NH2+])cc2)CC1 ZINC000264126883 220263114 /nfs/dbraw/zinc/26/31/14/220263114.db2.gz SKRVTFSNPICUBC-UHFFFAOYSA-N 2 1 275.356 -0.152 20 30 CBEDMP Cc1c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cnn1C ZINC000270408076 220273479 /nfs/dbraw/zinc/27/34/79/220273479.db2.gz HDOZFWYACQSYFK-UHFFFAOYSA-N 2 1 294.403 -0.145 20 30 CBEDMP Cc1nnsc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000292006144 220310187 /nfs/dbraw/zinc/31/01/87/220310187.db2.gz YAPINKMZGRZDOK-UHFFFAOYSA-N 2 1 298.416 -0.027 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303884372 220325170 /nfs/dbraw/zinc/32/51/70/220325170.db2.gz MSNITUMLRWZCFK-GFCCVEGCSA-N 2 1 271.409 -0.437 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303985267 220325693 /nfs/dbraw/zinc/32/56/93/220325693.db2.gz SUPXAANYJWBUDC-QWHCGFSZSA-N 2 1 283.420 -0.294 20 30 CBEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000329355368 220337074 /nfs/dbraw/zinc/33/70/74/220337074.db2.gz GPJCTKXOSCBFHL-QWHCGFSZSA-N 2 1 283.420 -0.170 20 30 CBEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000329355368 220337077 /nfs/dbraw/zinc/33/70/77/220337077.db2.gz GPJCTKXOSCBFHL-QWHCGFSZSA-N 2 1 283.420 -0.170 20 30 CBEDMP C=CCNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000195522563 262251899 /nfs/dbraw/zinc/25/18/99/262251899.db2.gz AMVRBRFVMRDVKV-UHFFFAOYSA-N 2 1 253.350 -0.759 20 30 CBEDMP C=C[C@H](CO)[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000662167873 419554829 /nfs/dbraw/zinc/55/48/29/419554829.db2.gz QCNWRVQSWUHWOW-KGLIPLIRSA-N 2 1 299.415 -0.404 20 30 CBEDMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000563145004 327929859 /nfs/dbraw/zinc/92/98/59/327929859.db2.gz YMRNTOLOZOSIQI-UONOGXRCSA-N 2 1 293.367 -0.338 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](CCO)[C@H](C)CC)CC1 ZINC000491144239 332155846 /nfs/dbraw/zinc/15/58/46/332155846.db2.gz HSRJLTQNBGSSSU-CQSZACIVSA-N 2 1 281.400 -0.143 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000491653210 332266000 /nfs/dbraw/zinc/26/60/00/332266000.db2.gz NIHNSIAPSANZII-ZDUSSCGKSA-N 2 1 267.373 -0.438 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000491739140 332318666 /nfs/dbraw/zinc/31/86/66/332318666.db2.gz NIHNSIAPSANZII-CYBMUJFWSA-N 2 1 267.373 -0.438 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000491776266 332341757 /nfs/dbraw/zinc/34/17/57/332341757.db2.gz ZAVVZQNQGOTQKU-UHFFFAOYSA-N 2 1 296.415 -0.085 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000491776266 332341759 /nfs/dbraw/zinc/34/17/59/332341759.db2.gz ZAVVZQNQGOTQKU-UHFFFAOYSA-N 2 1 296.415 -0.085 20 30 CBEDMP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491784459 332347456 /nfs/dbraw/zinc/34/74/56/332347456.db2.gz POCZOCPOXNFILX-CYBMUJFWSA-N 2 1 294.399 -0.697 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)CN1CC[NH+](CC)CC1 ZINC000491803644 332357599 /nfs/dbraw/zinc/35/75/99/332357599.db2.gz JHECPRQAOMTZOE-UHFFFAOYSA-N 2 1 280.416 -0.305 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCOC ZINC000730282869 582149832 /nfs/dbraw/zinc/14/98/32/582149832.db2.gz DOXGICPTTSJCMJ-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCOC ZINC000730282869 582149833 /nfs/dbraw/zinc/14/98/33/582149833.db2.gz DOXGICPTTSJCMJ-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOC ZINC000730282869 582149834 /nfs/dbraw/zinc/14/98/34/582149834.db2.gz DOXGICPTTSJCMJ-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOC ZINC000730282869 582149835 /nfs/dbraw/zinc/14/98/35/582149835.db2.gz DOXGICPTTSJCMJ-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000753439830 582297027 /nfs/dbraw/zinc/29/70/27/582297027.db2.gz MUVQZLIFTRCURB-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000753439830 582297028 /nfs/dbraw/zinc/29/70/28/582297028.db2.gz MUVQZLIFTRCURB-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781871 582444466 /nfs/dbraw/zinc/44/44/66/582444466.db2.gz VJDLKEHFYMKBLO-UHFFFAOYSA-N 2 1 268.405 -0.449 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000841909781 583176480 /nfs/dbraw/zinc/17/64/80/583176480.db2.gz HUOXVUSHCGTTBL-CHWSQXEVSA-N 2 1 282.388 -0.301 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000848307953 583440622 /nfs/dbraw/zinc/44/06/22/583440622.db2.gz UDLCYTHXKORZFZ-LSDHHAIUSA-N 2 1 291.395 -0.391 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CC[C@H](C)C1 ZINC000849004802 583466855 /nfs/dbraw/zinc/46/68/55/583466855.db2.gz AXGKMFNDUBUDAX-AWEZNQCLSA-N 2 1 297.447 -0.175 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCOCC1 ZINC000852856493 583561607 /nfs/dbraw/zinc/56/16/07/583561607.db2.gz QYSMSTGWDXYTCO-UHFFFAOYSA-N 2 1 279.384 -0.172 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589456 583609479 /nfs/dbraw/zinc/60/94/79/583609479.db2.gz OZZNKHQSHYBSLO-UHFFFAOYSA-N 2 1 267.373 -0.105 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861634992 583773714 /nfs/dbraw/zinc/77/37/14/583773714.db2.gz WQESJSPEESSAHE-LBPRGKRZSA-N 2 1 268.361 -0.771 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000890361540 584547494 /nfs/dbraw/zinc/54/74/94/584547494.db2.gz UFMONOKNFGZRBR-KBPBESRZSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000890361540 584547495 /nfs/dbraw/zinc/54/74/95/584547495.db2.gz UFMONOKNFGZRBR-KBPBESRZSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000890361540 584547497 /nfs/dbraw/zinc/54/74/97/584547497.db2.gz UFMONOKNFGZRBR-KBPBESRZSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000890361540 584547499 /nfs/dbraw/zinc/54/74/99/584547499.db2.gz UFMONOKNFGZRBR-KBPBESRZSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891921902 584594273 /nfs/dbraw/zinc/59/42/73/584594273.db2.gz XSYRHCCCQOHHOS-HAQNSBGRSA-N 2 1 252.362 -0.022 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407729 612962738 /nfs/dbraw/zinc/96/27/38/612962738.db2.gz SLGOZLOFYSYMEN-IQXANGCESA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958373547 613034334 /nfs/dbraw/zinc/03/43/34/613034334.db2.gz HFZFIPZGKXXOKX-HUUCEWRRSA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000960342732 613202699 /nfs/dbraw/zinc/20/26/99/613202699.db2.gz BOHTWOULQQGCNN-LJISPDSOSA-N 2 1 291.395 -0.487 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000960342732 613202700 /nfs/dbraw/zinc/20/27/00/613202700.db2.gz BOHTWOULQQGCNN-LJISPDSOSA-N 2 1 291.395 -0.487 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000960342732 613202701 /nfs/dbraw/zinc/20/27/01/613202701.db2.gz BOHTWOULQQGCNN-LJISPDSOSA-N 2 1 291.395 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000960342732 613202702 /nfs/dbraw/zinc/20/27/02/613202702.db2.gz BOHTWOULQQGCNN-LJISPDSOSA-N 2 1 291.395 -0.487 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979056275 613308398 /nfs/dbraw/zinc/30/83/98/613308398.db2.gz BUGNBXNNZGCUES-SYQHCUMBSA-N 2 1 261.369 -0.135 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979056275 613308400 /nfs/dbraw/zinc/30/84/00/613308400.db2.gz BUGNBXNNZGCUES-SYQHCUMBSA-N 2 1 261.369 -0.135 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979056275 613308401 /nfs/dbraw/zinc/30/84/01/613308401.db2.gz BUGNBXNNZGCUES-SYQHCUMBSA-N 2 1 261.369 -0.135 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977955820 613308839 /nfs/dbraw/zinc/30/88/39/613308839.db2.gz NSUNTXNDYJGYET-FQUUOJAGSA-N 2 1 277.368 -0.756 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977955820 613308841 /nfs/dbraw/zinc/30/88/41/613308841.db2.gz NSUNTXNDYJGYET-FQUUOJAGSA-N 2 1 277.368 -0.756 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955820 613308844 /nfs/dbraw/zinc/30/88/44/613308844.db2.gz NSUNTXNDYJGYET-FQUUOJAGSA-N 2 1 277.368 -0.756 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955820 613308846 /nfs/dbraw/zinc/30/88/46/613308846.db2.gz NSUNTXNDYJGYET-FQUUOJAGSA-N 2 1 277.368 -0.756 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962591471 613314933 /nfs/dbraw/zinc/31/49/33/613314933.db2.gz ROMRMGVTNLREQT-IMRBUKKESA-N 2 1 258.325 -0.129 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962591471 613314935 /nfs/dbraw/zinc/31/49/35/613314935.db2.gz ROMRMGVTNLREQT-IMRBUKKESA-N 2 1 258.325 -0.129 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962658578 613315762 /nfs/dbraw/zinc/31/57/62/613315762.db2.gz ZARVDHFSEQNRIW-RFQIPJPRSA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000962658578 613315763 /nfs/dbraw/zinc/31/57/63/613315763.db2.gz ZARVDHFSEQNRIW-RFQIPJPRSA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962658578 613315764 /nfs/dbraw/zinc/31/57/64/613315764.db2.gz ZARVDHFSEQNRIW-RFQIPJPRSA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962658578 613315765 /nfs/dbraw/zinc/31/57/65/613315765.db2.gz ZARVDHFSEQNRIW-RFQIPJPRSA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000961579537 613316644 /nfs/dbraw/zinc/31/66/44/613316644.db2.gz FMMCDQDOYRZUPC-BARDWOONSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000961579537 613316645 /nfs/dbraw/zinc/31/66/45/613316645.db2.gz FMMCDQDOYRZUPC-BARDWOONSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961579537 613316646 /nfs/dbraw/zinc/31/66/46/613316646.db2.gz FMMCDQDOYRZUPC-BARDWOONSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961579537 613316647 /nfs/dbraw/zinc/31/66/47/613316647.db2.gz FMMCDQDOYRZUPC-BARDWOONSA-N 2 1 291.395 -0.225 20 30 CBEDMP CNC(=O)C(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000157376141 656075978 /nfs/dbraw/zinc/07/59/78/656075978.db2.gz OTGKHRPBKMASOS-UHFFFAOYSA-N 2 1 299.419 -0.615 20 30 CBEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)NC1CC1 ZINC000171409959 656083180 /nfs/dbraw/zinc/08/31/80/656083180.db2.gz BQDYLBDGJRCMIM-UHFFFAOYSA-N 2 1 267.377 -0.522 20 30 CBEDMP C#CCSCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000178581736 656089084 /nfs/dbraw/zinc/08/90/84/656089084.db2.gz FOJSZRZEFSSHSL-UHFFFAOYSA-N 2 1 284.429 -0.021 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000195522565 656104430 /nfs/dbraw/zinc/10/44/30/656104430.db2.gz BZNJKPIWDVNWBM-LBPRGKRZSA-N 2 1 297.403 -0.766 20 30 CBEDMP COCCNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303387613 656138973 /nfs/dbraw/zinc/13/89/73/656138973.db2.gz WZTOXFUZMGUNLI-UHFFFAOYSA-N 2 1 271.409 -0.435 20 30 CBEDMP COCCNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303387613 656138974 /nfs/dbraw/zinc/13/89/74/656138974.db2.gz WZTOXFUZMGUNLI-UHFFFAOYSA-N 2 1 271.409 -0.435 20 30 CBEDMP COCCNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303387613 656138975 /nfs/dbraw/zinc/13/89/75/656138975.db2.gz WZTOXFUZMGUNLI-UHFFFAOYSA-N 2 1 271.409 -0.435 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303780864 656139426 /nfs/dbraw/zinc/13/94/26/656139426.db2.gz LTKWGEATMIHPDJ-LBPRGKRZSA-N 2 1 281.404 -0.099 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303880951 656139796 /nfs/dbraw/zinc/13/97/96/656139796.db2.gz KKSIKSBGFZPLCN-CHWSQXEVSA-N 2 1 285.436 -0.191 20 30 CBEDMP C[NH+]1CCC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303896828 656140314 /nfs/dbraw/zinc/14/03/14/656140314.db2.gz UUUHEJXJBRIZOK-UHFFFAOYSA-N 3 1 297.447 -0.045 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905276001 656347945 /nfs/dbraw/zinc/34/79/45/656347945.db2.gz ULJBEOWUXUJWAB-ZIAGYGMSSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905276001 656347947 /nfs/dbraw/zinc/34/79/47/656347947.db2.gz ULJBEOWUXUJWAB-ZIAGYGMSSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014473314 657363839 /nfs/dbraw/zinc/36/38/39/657363839.db2.gz RLUPSUFQUVEJEO-CYBMUJFWSA-N 2 1 289.383 -0.118 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014473314 657363843 /nfs/dbraw/zinc/36/38/43/657363843.db2.gz RLUPSUFQUVEJEO-CYBMUJFWSA-N 2 1 289.383 -0.118 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913675685 657580290 /nfs/dbraw/zinc/58/02/90/657580290.db2.gz DQAATKRIUFEQKR-AWEZNQCLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913675685 657580306 /nfs/dbraw/zinc/58/03/06/657580306.db2.gz DQAATKRIUFEQKR-AWEZNQCLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016306165 657686569 /nfs/dbraw/zinc/68/65/69/657686569.db2.gz NSGWXQRELALJSI-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016306165 657686589 /nfs/dbraw/zinc/68/65/89/657686589.db2.gz NSGWXQRELALJSI-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016306165 657686600 /nfs/dbraw/zinc/68/66/00/657686600.db2.gz NSGWXQRELALJSI-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016306165 657686614 /nfs/dbraw/zinc/68/66/14/657686614.db2.gz NSGWXQRELALJSI-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001018984832 657855667 /nfs/dbraw/zinc/85/56/67/657855667.db2.gz FPQIKSCGJJCBMG-AVGNSLFASA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001018984832 657855669 /nfs/dbraw/zinc/85/56/69/657855669.db2.gz FPQIKSCGJJCBMG-AVGNSLFASA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518265 657903375 /nfs/dbraw/zinc/90/33/75/657903375.db2.gz GJKMWDQXFLABHK-ZDUSSCGKSA-N 2 1 265.357 -0.468 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178852 658022431 /nfs/dbraw/zinc/02/24/31/658022431.db2.gz GTZASFHZCATQBJ-AAVRWANBSA-N 2 1 277.368 -0.280 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001020250855 658031411 /nfs/dbraw/zinc/03/14/11/658031411.db2.gz UUZATYLMQIBYLS-SYQHCUMBSA-N 2 1 279.384 -0.298 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001020250855 658031416 /nfs/dbraw/zinc/03/14/16/658031416.db2.gz UUZATYLMQIBYLS-SYQHCUMBSA-N 2 1 279.384 -0.298 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001021079138 658148411 /nfs/dbraw/zinc/14/84/11/658148411.db2.gz VNQHPAJRBDCVBC-JHJVBQTASA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001021079138 658148434 /nfs/dbraw/zinc/14/84/34/658148434.db2.gz VNQHPAJRBDCVBC-JHJVBQTASA-N 2 1 265.357 -0.423 20 30 CBEDMP C=CCN1CC[C@@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923460863 658292743 /nfs/dbraw/zinc/29/27/43/658292743.db2.gz XCYBEZHJNSRVBN-GFCCVEGCSA-N 2 1 252.362 -0.732 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000923552353 658317951 /nfs/dbraw/zinc/31/79/51/658317951.db2.gz WRGOHQHFXBXAMU-KCQAQPDRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@H](O)CN2C)C1 ZINC000923552353 658317962 /nfs/dbraw/zinc/31/79/62/658317962.db2.gz WRGOHQHFXBXAMU-KCQAQPDRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCN1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000923550668 658319161 /nfs/dbraw/zinc/31/91/61/658319161.db2.gz FDVMHALSSYTGHH-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCN1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000923550668 658319171 /nfs/dbraw/zinc/31/91/71/658319171.db2.gz FDVMHALSSYTGHH-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985354415 659381763 /nfs/dbraw/zinc/38/17/63/659381763.db2.gz PASWUVLFZUMTHN-CQSZACIVSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985354415 659381770 /nfs/dbraw/zinc/38/17/70/659381770.db2.gz PASWUVLFZUMTHN-CQSZACIVSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000985354415 659381774 /nfs/dbraw/zinc/38/17/74/659381774.db2.gz PASWUVLFZUMTHN-CQSZACIVSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000985354415 659381782 /nfs/dbraw/zinc/38/17/82/659381782.db2.gz PASWUVLFZUMTHN-CQSZACIVSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989561064 659594296 /nfs/dbraw/zinc/59/42/96/659594296.db2.gz BIAKGLINYBBHSB-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990569007 659761465 /nfs/dbraw/zinc/76/14/65/659761465.db2.gz BYOSKHLNXHQUPL-CYBMUJFWSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569007 659761482 /nfs/dbraw/zinc/76/14/82/659761482.db2.gz BYOSKHLNXHQUPL-CYBMUJFWSA-N 2 1 265.357 -0.469 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021926146 790970682 /nfs/dbraw/zinc/97/06/82/790970682.db2.gz DKCFJIKLFQGZSF-GRYCIOLGSA-N 2 1 253.346 -0.260 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021926146 790970690 /nfs/dbraw/zinc/97/06/90/790970690.db2.gz DKCFJIKLFQGZSF-GRYCIOLGSA-N 2 1 253.346 -0.260 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003001 805671643 /nfs/dbraw/zinc/67/16/43/805671643.db2.gz PBWAUEXHWHOQRV-RBSFLKMASA-N 2 1 291.395 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003001 805671647 /nfs/dbraw/zinc/67/16/47/805671647.db2.gz PBWAUEXHWHOQRV-RBSFLKMASA-N 2 1 291.395 -0.487 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679715 805767492 /nfs/dbraw/zinc/76/74/92/805767492.db2.gz ZZTQINJZKULLTB-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679715 805767494 /nfs/dbraw/zinc/76/74/94/805767494.db2.gz ZZTQINJZKULLTB-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679715 805767497 /nfs/dbraw/zinc/76/74/97/805767497.db2.gz ZZTQINJZKULLTB-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006000 805820220 /nfs/dbraw/zinc/82/02/20/805820220.db2.gz PKGJLOCGQDQEGB-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006000 805820229 /nfs/dbraw/zinc/82/02/29/805820229.db2.gz PKGJLOCGQDQEGB-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006000 805820239 /nfs/dbraw/zinc/82/02/39/805820239.db2.gz PKGJLOCGQDQEGB-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006000 805820249 /nfs/dbraw/zinc/82/02/49/805820249.db2.gz PKGJLOCGQDQEGB-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011954 805822405 /nfs/dbraw/zinc/82/24/05/805822405.db2.gz OZKHDBQAGDUVRK-CHWSQXEVSA-N 2 1 279.384 -0.180 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183215 805851974 /nfs/dbraw/zinc/85/19/74/805851974.db2.gz GHVZAXSVEALTDO-CHWSQXEVSA-N 2 1 276.340 -0.624 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183215 805851977 /nfs/dbraw/zinc/85/19/77/805851977.db2.gz GHVZAXSVEALTDO-CHWSQXEVSA-N 2 1 276.340 -0.624 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134091 806148258 /nfs/dbraw/zinc/14/82/58/806148258.db2.gz ZMXBEIXIFGBABI-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)CN2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134091 806148265 /nfs/dbraw/zinc/14/82/65/806148265.db2.gz ZMXBEIXIFGBABI-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001082568845 806186688 /nfs/dbraw/zinc/18/66/88/806186688.db2.gz VHSVQPKANPVWOE-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001082568845 806186693 /nfs/dbraw/zinc/18/66/93/806186693.db2.gz VHSVQPKANPVWOE-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466375 806336202 /nfs/dbraw/zinc/33/62/02/806336202.db2.gz RFRJRQYSOPAUHG-KFWWJZLASA-N 2 1 291.395 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053875 806481194 /nfs/dbraw/zinc/48/11/94/806481194.db2.gz OAXFSFQAAKRJDS-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053875 806481199 /nfs/dbraw/zinc/48/11/99/806481199.db2.gz OAXFSFQAAKRJDS-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053875 806481206 /nfs/dbraw/zinc/48/12/06/806481206.db2.gz OAXFSFQAAKRJDS-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053875 806481210 /nfs/dbraw/zinc/48/12/10/806481210.db2.gz OAXFSFQAAKRJDS-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086052757 806641064 /nfs/dbraw/zinc/64/10/64/806641064.db2.gz UKUKMBCKGNGJQQ-FRRDWIJNSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086052757 806641069 /nfs/dbraw/zinc/64/10/69/806641069.db2.gz UKUKMBCKGNGJQQ-FRRDWIJNSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028465954 799140031 /nfs/dbraw/zinc/14/00/31/799140031.db2.gz NRYFIBDMNKSKEO-QWHCGFSZSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028465954 799140032 /nfs/dbraw/zinc/14/00/32/799140032.db2.gz NRYFIBDMNKSKEO-QWHCGFSZSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028465954 799140033 /nfs/dbraw/zinc/14/00/33/799140033.db2.gz NRYFIBDMNKSKEO-QWHCGFSZSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028465954 799140035 /nfs/dbraw/zinc/14/00/35/799140035.db2.gz NRYFIBDMNKSKEO-QWHCGFSZSA-N 2 1 267.373 -0.059 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028464870 799140846 /nfs/dbraw/zinc/14/08/46/799140846.db2.gz GMWIJQVDPSKDTJ-QWHCGFSZSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028464870 799140848 /nfs/dbraw/zinc/14/08/48/799140848.db2.gz GMWIJQVDPSKDTJ-QWHCGFSZSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028464870 799140852 /nfs/dbraw/zinc/14/08/52/799140852.db2.gz GMWIJQVDPSKDTJ-QWHCGFSZSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028464870 799140856 /nfs/dbraw/zinc/14/08/56/799140856.db2.gz GMWIJQVDPSKDTJ-QWHCGFSZSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031677828 799532413 /nfs/dbraw/zinc/53/24/13/799532413.db2.gz ZEPMHTDYWBNQEM-UHFFFAOYSA-N 2 1 289.383 -0.261 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001031740388 799537888 /nfs/dbraw/zinc/53/78/88/799537888.db2.gz AZLGKMPDQWPUMA-JSGCOSHPSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001031740388 799537889 /nfs/dbraw/zinc/53/78/89/799537889.db2.gz AZLGKMPDQWPUMA-JSGCOSHPSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](C)O)CC1 ZINC001039041888 801284710 /nfs/dbraw/zinc/28/47/10/801284710.db2.gz ILMBMFKRRLAETJ-UKRRQHHQSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001047386021 801859661 /nfs/dbraw/zinc/85/96/61/801859661.db2.gz JTKDCQZIIXCDAN-XGUBFFRZSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386021 801859670 /nfs/dbraw/zinc/85/96/70/801859670.db2.gz JTKDCQZIIXCDAN-XGUBFFRZSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386021 801859677 /nfs/dbraw/zinc/85/96/77/801859677.db2.gz JTKDCQZIIXCDAN-XGUBFFRZSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386021 801859683 /nfs/dbraw/zinc/85/96/83/801859683.db2.gz JTKDCQZIIXCDAN-XGUBFFRZSA-N 2 1 293.411 -0.147 20 30 CBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047513509 801891713 /nfs/dbraw/zinc/89/17/13/801891713.db2.gz JLENFUVRLILRSQ-GJZGRUSLSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047513509 801891719 /nfs/dbraw/zinc/89/17/19/801891719.db2.gz JLENFUVRLILRSQ-GJZGRUSLSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047596690 801907796 /nfs/dbraw/zinc/90/77/96/801907796.db2.gz XEGQDZUOSCOPCS-ILXRZTDVSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047596690 801907801 /nfs/dbraw/zinc/90/78/01/801907801.db2.gz XEGQDZUOSCOPCS-ILXRZTDVSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047596690 801907806 /nfs/dbraw/zinc/90/78/06/801907806.db2.gz XEGQDZUOSCOPCS-ILXRZTDVSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627331 801914140 /nfs/dbraw/zinc/91/41/40/801914140.db2.gz OJOMQZWTVWPAFX-KBPBESRZSA-N 2 1 279.384 -0.391 20 30 CBEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001118134425 812475019 /nfs/dbraw/zinc/47/50/19/812475019.db2.gz SPBWHKGSAZORPJ-NWDGAFQWSA-N 2 1 268.361 -0.156 20 30 CBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001323412504 804023521 /nfs/dbraw/zinc/02/35/21/804023521.db2.gz ZUGXCURYIGLDNW-ZDUSSCGKSA-N 2 1 295.383 -0.795 20 30 CBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001323412504 804023531 /nfs/dbraw/zinc/02/35/31/804023531.db2.gz ZUGXCURYIGLDNW-ZDUSSCGKSA-N 2 1 295.383 -0.795 20 30 CBEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001325109633 804240572 /nfs/dbraw/zinc/24/05/72/804240572.db2.gz FQLPUDKFRDHPRV-ZFWWWQNUSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001325109633 804240579 /nfs/dbraw/zinc/24/05/79/804240579.db2.gz FQLPUDKFRDHPRV-ZFWWWQNUSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001325109633 804240587 /nfs/dbraw/zinc/24/05/87/804240587.db2.gz FQLPUDKFRDHPRV-ZFWWWQNUSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001325128294 804244800 /nfs/dbraw/zinc/24/48/00/804244800.db2.gz YIHQZNDIASWNGD-MRXNPFEDSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001325126824 804245023 /nfs/dbraw/zinc/24/50/23/804245023.db2.gz RKZAHNQLVFIRGI-CQSZACIVSA-N 2 1 267.373 -0.486 20 30 CBEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001325307922 804273977 /nfs/dbraw/zinc/27/39/77/804273977.db2.gz IJKMMVVXEQIZTB-LBPRGKRZSA-N 2 1 267.373 -0.323 20 30 CBEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001325307922 804273983 /nfs/dbraw/zinc/27/39/83/804273983.db2.gz IJKMMVVXEQIZTB-LBPRGKRZSA-N 2 1 267.373 -0.323 20 30 CBEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580923 805317491 /nfs/dbraw/zinc/31/74/91/805317491.db2.gz OIZXIJIMBLUVPI-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580923 805317500 /nfs/dbraw/zinc/31/75/00/805317500.db2.gz OIZXIJIMBLUVPI-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580923 805317509 /nfs/dbraw/zinc/31/75/09/805317509.db2.gz OIZXIJIMBLUVPI-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580923 805317517 /nfs/dbraw/zinc/31/75/17/805317517.db2.gz OIZXIJIMBLUVPI-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072823043 805337977 /nfs/dbraw/zinc/33/79/77/805337977.db2.gz ZWXNWHPSWIDWIG-AWEZNQCLSA-N 2 1 291.395 -0.389 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072823043 805337984 /nfs/dbraw/zinc/33/79/84/805337984.db2.gz ZWXNWHPSWIDWIG-AWEZNQCLSA-N 2 1 291.395 -0.389 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072823043 805337993 /nfs/dbraw/zinc/33/79/93/805337993.db2.gz ZWXNWHPSWIDWIG-AWEZNQCLSA-N 2 1 291.395 -0.389 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)C2 ZINC001072823043 805338001 /nfs/dbraw/zinc/33/80/01/805338001.db2.gz ZWXNWHPSWIDWIG-AWEZNQCLSA-N 2 1 291.395 -0.389 20 30 CBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073886869 805421567 /nfs/dbraw/zinc/42/15/67/805421567.db2.gz ZTKBTYCHWYRVRU-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073886869 805421576 /nfs/dbraw/zinc/42/15/76/805421576.db2.gz ZTKBTYCHWYRVRU-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886869 805421586 /nfs/dbraw/zinc/42/15/86/805421586.db2.gz ZTKBTYCHWYRVRU-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886869 805421589 /nfs/dbraw/zinc/42/15/89/805421589.db2.gz ZTKBTYCHWYRVRU-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073856550 805422380 /nfs/dbraw/zinc/42/23/80/805422380.db2.gz IVMCVDNHURVTRI-AWEZNQCLSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073856550 805422384 /nfs/dbraw/zinc/42/23/84/805422384.db2.gz IVMCVDNHURVTRI-AWEZNQCLSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073886871 805422574 /nfs/dbraw/zinc/42/25/74/805422574.db2.gz ZTKBTYCHWYRVRU-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073886871 805422577 /nfs/dbraw/zinc/42/25/77/805422577.db2.gz ZTKBTYCHWYRVRU-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886871 805422579 /nfs/dbraw/zinc/42/25/79/805422579.db2.gz ZTKBTYCHWYRVRU-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886871 805422582 /nfs/dbraw/zinc/42/25/82/805422582.db2.gz ZTKBTYCHWYRVRU-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439462 815121753 /nfs/dbraw/zinc/12/17/53/815121753.db2.gz NDGNQIHILQMUAR-UHFFFAOYSA-N 2 1 270.377 -0.665 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445824 815122280 /nfs/dbraw/zinc/12/22/80/815122280.db2.gz OMWRHPBDAUTTDZ-GFCCVEGCSA-N 2 1 282.388 -0.830 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144198 815339995 /nfs/dbraw/zinc/33/99/95/815339995.db2.gz BFWLADAEMUAZEV-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144198 815340000 /nfs/dbraw/zinc/34/00/00/815340000.db2.gz BFWLADAEMUAZEV-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086331773 810261434 /nfs/dbraw/zinc/26/14/34/810261434.db2.gz GOFGGFVMACGLHW-AVGNSLFASA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086331773 810261443 /nfs/dbraw/zinc/26/14/43/810261443.db2.gz GOFGGFVMACGLHW-AVGNSLFASA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001086390140 810267377 /nfs/dbraw/zinc/26/73/77/810267377.db2.gz DEZKUNIMGMWUHD-AJNGGQMLSA-N 2 1 293.411 -0.051 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001086390140 810267382 /nfs/dbraw/zinc/26/73/82/810267382.db2.gz DEZKUNIMGMWUHD-AJNGGQMLSA-N 2 1 293.411 -0.051 20 30 CBEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664352 810281306 /nfs/dbraw/zinc/28/13/06/810281306.db2.gz KBNDXGQFYGUPDE-MJBXVCDLSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664352 810281312 /nfs/dbraw/zinc/28/13/12/810281312.db2.gz KBNDXGQFYGUPDE-MJBXVCDLSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090391175 810489734 /nfs/dbraw/zinc/48/97/34/810489734.db2.gz AYUDRCFXOZOGCC-UONOGXRCSA-N 2 1 291.395 -0.201 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090391175 810489736 /nfs/dbraw/zinc/48/97/36/810489736.db2.gz AYUDRCFXOZOGCC-UONOGXRCSA-N 2 1 291.395 -0.201 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729997 810559539 /nfs/dbraw/zinc/55/95/39/810559539.db2.gz DIABUFUEWUCCPV-KBPBESRZSA-N 2 1 291.395 -0.343 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090814749 810568873 /nfs/dbraw/zinc/56/88/73/810568873.db2.gz LHMFDFQBDIQVND-UONOGXRCSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC)C[C@H]2O)CC1 ZINC001090832025 810572918 /nfs/dbraw/zinc/57/29/18/810572918.db2.gz XVFVFVKOFQXKJO-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001090970331 810583655 /nfs/dbraw/zinc/58/36/55/810583655.db2.gz UKUKMBCKGNGJQQ-WXRRBKDZSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001090970331 810583662 /nfs/dbraw/zinc/58/36/62/810583662.db2.gz UKUKMBCKGNGJQQ-WXRRBKDZSA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091076159 810589722 /nfs/dbraw/zinc/58/97/22/810589722.db2.gz QJGUCDJWBACJPE-BPCQOVAHSA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091076159 810589724 /nfs/dbraw/zinc/58/97/24/810589724.db2.gz QJGUCDJWBACJPE-BPCQOVAHSA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001091374182 810604938 /nfs/dbraw/zinc/60/49/38/810604938.db2.gz RSCMBXCYSCIDNT-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001091374182 810604945 /nfs/dbraw/zinc/60/49/45/810604945.db2.gz RSCMBXCYSCIDNT-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521883 810632994 /nfs/dbraw/zinc/63/29/94/810632994.db2.gz GLYPEOBBBZKWEJ-MCIONIFRSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521883 810632999 /nfs/dbraw/zinc/63/29/99/810632999.db2.gz GLYPEOBBBZKWEJ-MCIONIFRSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521883 810633006 /nfs/dbraw/zinc/63/30/06/810633006.db2.gz GLYPEOBBBZKWEJ-MCIONIFRSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521883 810633011 /nfs/dbraw/zinc/63/30/11/810633011.db2.gz GLYPEOBBBZKWEJ-MCIONIFRSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001092688815 810637433 /nfs/dbraw/zinc/63/74/33/810637433.db2.gz AZPDUILZIXSNIY-KFWWJZLASA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001092688815 810637440 /nfs/dbraw/zinc/63/74/40/810637440.db2.gz AZPDUILZIXSNIY-KFWWJZLASA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001092688815 810637444 /nfs/dbraw/zinc/63/74/44/810637444.db2.gz AZPDUILZIXSNIY-KFWWJZLASA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001092688815 810637449 /nfs/dbraw/zinc/63/74/49/810637449.db2.gz AZPDUILZIXSNIY-KFWWJZLASA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561129 810850580 /nfs/dbraw/zinc/85/05/80/810850580.db2.gz SVSJURHDXBYCSB-AWEZNQCLSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561129 810850589 /nfs/dbraw/zinc/85/05/89/810850589.db2.gz SVSJURHDXBYCSB-AWEZNQCLSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561129 810850599 /nfs/dbraw/zinc/85/05/99/810850599.db2.gz SVSJURHDXBYCSB-AWEZNQCLSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969953 810979289 /nfs/dbraw/zinc/97/92/89/810979289.db2.gz PBBKCYIWZIVJOL-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969953 810979293 /nfs/dbraw/zinc/97/92/93/810979293.db2.gz PBBKCYIWZIVJOL-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987470 810986472 /nfs/dbraw/zinc/98/64/72/810986472.db2.gz ZZKVPARNJZPUFZ-RYUDHWBXSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987470 810986476 /nfs/dbraw/zinc/98/64/76/810986476.db2.gz ZZKVPARNJZPUFZ-RYUDHWBXSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037108 810998700 /nfs/dbraw/zinc/99/87/00/810998700.db2.gz UCTAOCHPZCHEGO-KBPBESRZSA-N 2 1 297.399 -0.554 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037108 810998706 /nfs/dbraw/zinc/99/87/06/810998706.db2.gz UCTAOCHPZCHEGO-KBPBESRZSA-N 2 1 297.399 -0.554 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041404 811002285 /nfs/dbraw/zinc/00/22/85/811002285.db2.gz IZDIDAQVTQXUIV-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076004 811014677 /nfs/dbraw/zinc/01/46/77/811014677.db2.gz DNOWUZMYHJIMCC-ZIAGYGMSSA-N 2 1 297.399 -0.861 20 30 CBEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980034 812170957 /nfs/dbraw/zinc/17/09/57/812170957.db2.gz JJJBRMYCCKJUFZ-FOLVSLTJSA-N 2 1 291.395 -0.222 20 30 CBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980034 812170959 /nfs/dbraw/zinc/17/09/59/812170959.db2.gz JJJBRMYCCKJUFZ-FOLVSLTJSA-N 2 1 291.395 -0.222 20 30 CBEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC001118200858 812493863 /nfs/dbraw/zinc/49/38/63/812493863.db2.gz DVLCVEGHYSKMQJ-RNFRBKRXSA-N 2 1 251.315 -0.557 20 30 CBEDMP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC001118200856 812494608 /nfs/dbraw/zinc/49/46/08/812494608.db2.gz DVLCVEGHYSKMQJ-BQBZGAKWSA-N 2 1 251.315 -0.557 20 30 CBEDMP C#CC[NH2+]CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC001121937099 813093902 /nfs/dbraw/zinc/09/39/02/813093902.db2.gz JLRLCMOLDWCAGZ-UHFFFAOYSA-N 2 1 274.324 -0.464 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877219 815603409 /nfs/dbraw/zinc/60/34/09/815603409.db2.gz NQTXBEIHBYPJBB-ZDUSSCGKSA-N 2 1 277.372 -0.458 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643845 813739248 /nfs/dbraw/zinc/73/92/48/813739248.db2.gz NSTDAFGUBBZPJR-JHJVBQTASA-N 2 1 294.399 -0.830 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784828 813749333 /nfs/dbraw/zinc/74/93/33/813749333.db2.gz BSQIXABQJRSGIS-CHWSQXEVSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785071 813749363 /nfs/dbraw/zinc/74/93/63/813749363.db2.gz FKCXYYLBYNWCOY-CHWSQXEVSA-N 2 1 265.357 -0.421 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128773854 813796717 /nfs/dbraw/zinc/79/67/17/813796717.db2.gz GOPUXMMWXHTWGG-CYBMUJFWSA-N 2 1 296.415 -0.131 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128774231 813798064 /nfs/dbraw/zinc/79/80/64/813798064.db2.gz PPRSWJASKZDWCA-CYBMUJFWSA-N 2 1 294.399 -0.684 20 30 CBEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129849726 813871076 /nfs/dbraw/zinc/87/10/76/813871076.db2.gz RZEYOWWJQBTPQR-GFCCVEGCSA-N 2 1 295.387 -0.794 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130303556 813924572 /nfs/dbraw/zinc/92/45/72/813924572.db2.gz DCOFVLAMFGGJIT-QWHCGFSZSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387283 814027946 /nfs/dbraw/zinc/02/79/46/814027946.db2.gz JMRSNEIYFGYTDF-LBPRGKRZSA-N 2 1 291.355 -0.965 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858670 814194981 /nfs/dbraw/zinc/19/49/81/814194981.db2.gz DURBEGUUTQNFBT-LBPRGKRZSA-N 2 1 255.362 -0.013 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845543 814307446 /nfs/dbraw/zinc/30/74/46/814307446.db2.gz IFYLLRHEIMYICZ-ZDUSSCGKSA-N 2 1 267.373 -0.316 20 30 CBEDMP C=C(C)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341222 814465953 /nfs/dbraw/zinc/46/59/53/814465953.db2.gz SBRRALGJNLHERL-UHFFFAOYSA-N 2 1 255.362 -0.009 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159991651 815606545 /nfs/dbraw/zinc/60/65/45/815606545.db2.gz DEGOTDNUCRAFTA-UHFFFAOYSA-N 2 1 296.415 -0.131 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160861979 815682353 /nfs/dbraw/zinc/68/23/53/815682353.db2.gz FRONVXAHDKWLOB-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160861979 815682358 /nfs/dbraw/zinc/68/23/58/815682358.db2.gz FRONVXAHDKWLOB-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP N#C[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160877834 815683820 /nfs/dbraw/zinc/68/38/20/815683820.db2.gz DJDALWJWQVKIRP-NSHDSACASA-N 2 1 252.318 -0.921 20 30 CBEDMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)nc(C#N)n1 ZINC001161867913 815791064 /nfs/dbraw/zinc/79/10/64/815791064.db2.gz WDRQLYXKCXKJIL-UHFFFAOYSA-N 2 1 260.345 -0.086 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872253 815847254 /nfs/dbraw/zinc/84/72/54/815847254.db2.gz LXKCPKQRRHLSDT-BBBYJDLNSA-N 2 1 291.395 -0.031 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872051 815847668 /nfs/dbraw/zinc/84/76/68/815847668.db2.gz FKTPSCFRNJDVQV-BBBYJDLNSA-N 2 1 291.395 -0.031 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001316967205 816908920 /nfs/dbraw/zinc/90/89/20/816908920.db2.gz VKQJKAXGWFTVQW-UHFFFAOYSA-N 2 1 292.427 -0.305 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317287759 816959257 /nfs/dbraw/zinc/95/92/57/816959257.db2.gz CVQOOWHWQGVQIV-OLZOCXBDSA-N 2 1 267.373 -0.318 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001317596141 817026878 /nfs/dbraw/zinc/02/68/78/817026878.db2.gz HWGOMPBIXZXGGU-NEPJUHHUSA-N 2 1 280.372 -0.994 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001317596141 817026885 /nfs/dbraw/zinc/02/68/85/817026885.db2.gz HWGOMPBIXZXGGU-NEPJUHHUSA-N 2 1 280.372 -0.994 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001319224745 817178059 /nfs/dbraw/zinc/17/80/59/817178059.db2.gz JBWVNBCDPRMHEB-QWHCGFSZSA-N 2 1 296.415 -0.275 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320315443 817320598 /nfs/dbraw/zinc/32/05/98/817320598.db2.gz UJISGIDLOUWPJJ-NEPJUHHUSA-N 2 1 253.346 -0.972 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001320285397 817314467 /nfs/dbraw/zinc/31/44/67/817314467.db2.gz ZVSOYDLZOJYUSR-GFCCVEGCSA-N 2 1 278.356 -0.294 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320315446 817320585 /nfs/dbraw/zinc/32/05/85/817320585.db2.gz UJISGIDLOUWPJJ-VXGBXAGGSA-N 2 1 253.346 -0.972 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166708806 820017994 /nfs/dbraw/zinc/01/79/94/820017994.db2.gz WPBWOPSBVIZZTO-STQMWFEESA-N 2 1 296.415 -0.418 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072494 820438633 /nfs/dbraw/zinc/43/86/33/820438633.db2.gz WKLBUGWFIVLEMB-LBPRGKRZSA-N 2 1 282.388 -0.664 20 30 CBEDMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001176644519 820455128 /nfs/dbraw/zinc/45/51/28/820455128.db2.gz UQGIWNRGIOZRJI-AWEZNQCLSA-N 2 1 297.399 -0.547 20 30 CBEDMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001176644519 820455133 /nfs/dbraw/zinc/45/51/33/820455133.db2.gz UQGIWNRGIOZRJI-AWEZNQCLSA-N 2 1 297.399 -0.547 20 30 CBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186807596 821198555 /nfs/dbraw/zinc/19/85/55/821198555.db2.gz AYGTVYAXUAUDKS-GFCCVEGCSA-N 2 1 295.387 -0.842 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824649 821199486 /nfs/dbraw/zinc/19/94/86/821199486.db2.gz DDBHSSDTBSQLEG-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283470390 828520357 /nfs/dbraw/zinc/52/03/57/828520357.db2.gz BGBRLDCBTQPROJ-ZDUSSCGKSA-N 2 1 267.373 -0.316 20 30 CBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001283763670 828545052 /nfs/dbraw/zinc/54/50/52/828545052.db2.gz IRKQCKXNAOHRRB-CYBMUJFWSA-N 2 1 297.399 -0.813 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC ZINC001284416481 828592533 /nfs/dbraw/zinc/59/25/33/828592533.db2.gz NRSDFIBNNCLSGZ-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC ZINC001284416481 828592536 /nfs/dbraw/zinc/59/25/36/828592536.db2.gz NRSDFIBNNCLSGZ-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745077 824045545 /nfs/dbraw/zinc/04/55/45/824045545.db2.gz CBHMFKHQZNWOMO-VXGBXAGGSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745077 824045549 /nfs/dbraw/zinc/04/55/49/824045549.db2.gz CBHMFKHQZNWOMO-VXGBXAGGSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869331 824135653 /nfs/dbraw/zinc/13/56/53/824135653.db2.gz BERQSMZRQUOOOH-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196953342 824173122 /nfs/dbraw/zinc/17/31/22/824173122.db2.gz CURSJJKOEUVTAG-ZIAGYGMSSA-N 2 1 297.399 -0.554 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953342 824173126 /nfs/dbraw/zinc/17/31/26/824173126.db2.gz CURSJJKOEUVTAG-ZIAGYGMSSA-N 2 1 297.399 -0.554 20 30 CBEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493020 824192610 /nfs/dbraw/zinc/19/26/10/824192610.db2.gz CXBKMIPVXBNGQE-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493020 824192612 /nfs/dbraw/zinc/19/26/12/824192612.db2.gz CXBKMIPVXBNGQE-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493020 824192614 /nfs/dbraw/zinc/19/26/14/824192614.db2.gz CXBKMIPVXBNGQE-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493020 824192616 /nfs/dbraw/zinc/19/26/16/824192616.db2.gz CXBKMIPVXBNGQE-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493020 824192617 /nfs/dbraw/zinc/19/26/17/824192617.db2.gz CXBKMIPVXBNGQE-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057239 824341895 /nfs/dbraw/zinc/34/18/95/824341895.db2.gz FUHCLOYZYYVFCX-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734865 824437675 /nfs/dbraw/zinc/43/76/75/824437675.db2.gz PUFRFGSZCCIUFU-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734865 824437676 /nfs/dbraw/zinc/43/76/76/824437676.db2.gz PUFRFGSZCCIUFU-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP N#Cc1[nH]cnc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218593691 824600180 /nfs/dbraw/zinc/60/01/80/824600180.db2.gz AYABRZRGEOKTBH-PRHODGIISA-N 2 1 260.301 -0.581 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846848 824900763 /nfs/dbraw/zinc/90/07/63/824900763.db2.gz GSXWVCIBLGIAEX-RDBSUJKOSA-N 2 1 281.400 -0.243 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846848 824900767 /nfs/dbraw/zinc/90/07/67/824900767.db2.gz GSXWVCIBLGIAEX-RDBSUJKOSA-N 2 1 281.400 -0.243 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219842182 824902029 /nfs/dbraw/zinc/90/20/29/824902029.db2.gz JWYFQMFFABQJBZ-AGIUHOORSA-N 2 1 269.389 -0.080 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219842182 824902034 /nfs/dbraw/zinc/90/20/34/824902034.db2.gz JWYFQMFFABQJBZ-AGIUHOORSA-N 2 1 269.389 -0.080 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220290300 825007628 /nfs/dbraw/zinc/00/76/28/825007628.db2.gz VBZITQUCBKYKPS-HZSPNIEDSA-N 2 1 281.400 -0.243 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220290300 825007636 /nfs/dbraw/zinc/00/76/36/825007636.db2.gz VBZITQUCBKYKPS-HZSPNIEDSA-N 2 1 281.400 -0.243 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220380202 825025140 /nfs/dbraw/zinc/02/51/40/825025140.db2.gz UGGVGDFIPXIXJP-RDBSUJKOSA-N 2 1 299.415 -0.310 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688278 825087149 /nfs/dbraw/zinc/08/71/49/825087149.db2.gz CXBKMIPVXBNGQE-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688278 825087152 /nfs/dbraw/zinc/08/71/52/825087152.db2.gz CXBKMIPVXBNGQE-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688278 825087159 /nfs/dbraw/zinc/08/71/59/825087159.db2.gz CXBKMIPVXBNGQE-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688278 825087163 /nfs/dbraw/zinc/08/71/63/825087163.db2.gz CXBKMIPVXBNGQE-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764657 825099250 /nfs/dbraw/zinc/09/92/50/825099250.db2.gz RKAHZALOZKCVAD-OLZOCXBDSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CCN1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220815447 825105374 /nfs/dbraw/zinc/10/53/74/825105374.db2.gz MGWORVNTTGAUKW-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220815447 825105376 /nfs/dbraw/zinc/10/53/76/825105376.db2.gz MGWORVNTTGAUKW-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220815447 825105378 /nfs/dbraw/zinc/10/53/78/825105378.db2.gz MGWORVNTTGAUKW-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220815447 825105381 /nfs/dbraw/zinc/10/53/81/825105381.db2.gz MGWORVNTTGAUKW-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])COC(C)=O ZINC001220868422 825114980 /nfs/dbraw/zinc/11/49/80/825114980.db2.gz ITUMOYFOAJAFDJ-RYUDHWBXSA-N 2 1 269.345 -0.357 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])COC(C)=O ZINC001220868422 825114983 /nfs/dbraw/zinc/11/49/83/825114983.db2.gz ITUMOYFOAJAFDJ-RYUDHWBXSA-N 2 1 269.345 -0.357 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220868092 825115960 /nfs/dbraw/zinc/11/59/60/825115960.db2.gz AUFUTFQGHZKBEN-QWHCGFSZSA-N 3 1 278.400 -0.438 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220868902 825117384 /nfs/dbraw/zinc/11/73/84/825117384.db2.gz YSRAQGPEGBXKQG-SRVKXCTJSA-N 2 1 253.346 -0.524 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220868903 825117496 /nfs/dbraw/zinc/11/74/96/825117496.db2.gz YSRAQGPEGBXKQG-TUAOUCFPSA-N 2 1 253.346 -0.524 20 30 CBEDMP C[NH+]1CCN(C(=O)CO[C@H](CC#N)C[N+](C)(C)C)CC1 ZINC001222536662 825213980 /nfs/dbraw/zinc/21/39/80/825213980.db2.gz BLNSYEVIMCWJSH-CYBMUJFWSA-N 2 1 283.396 -0.235 20 30 CBEDMP C=CCOC[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246022709 825624238 /nfs/dbraw/zinc/62/42/38/825624238.db2.gz AVLCBCMHKIDSAF-OLZOCXBDSA-N 2 1 255.362 -0.813 20 30 CBEDMP N#C[C@@H]1C[C@@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246859228 825723900 /nfs/dbraw/zinc/72/39/00/825723900.db2.gz KGVFQWASVJOBSK-DQJFZVCTSA-N 2 1 250.346 -0.464 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001251857707 825798996 /nfs/dbraw/zinc/79/89/96/825798996.db2.gz ISZZLAWSNMCWFI-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001251857707 825799002 /nfs/dbraw/zinc/79/90/02/825799002.db2.gz ISZZLAWSNMCWFI-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C=CCOC[C@@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252488779 825872700 /nfs/dbraw/zinc/87/27/00/825872700.db2.gz SFEWDUXIKPVMBF-AWEZNQCLSA-N 2 1 271.405 -0.223 20 30 CBEDMP N#C[C@@H]1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001254637650 825967874 /nfs/dbraw/zinc/96/78/74/825967874.db2.gz SZPFHMQIAGSMSE-CHWSQXEVSA-N 2 1 255.362 -0.055 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001265265252 826863229 /nfs/dbraw/zinc/86/32/29/826863229.db2.gz URYDHTHKFWCQGN-UHFFFAOYSA-N 2 1 290.411 -0.551 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001265986292 826944231 /nfs/dbraw/zinc/94/42/31/826944231.db2.gz BSHRAOKAKBFIQD-STQMWFEESA-N 2 1 292.383 -0.993 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001265986292 826944236 /nfs/dbraw/zinc/94/42/36/826944236.db2.gz BSHRAOKAKBFIQD-STQMWFEESA-N 2 1 292.383 -0.993 20 30 CBEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266280987 826971193 /nfs/dbraw/zinc/97/11/93/826971193.db2.gz APEOSLUKWSTJDD-OAHLLOKOSA-N 2 1 292.427 -0.162 20 30 CBEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001266280987 826971196 /nfs/dbraw/zinc/97/11/96/826971196.db2.gz APEOSLUKWSTJDD-OAHLLOKOSA-N 2 1 292.427 -0.162 20 30 CBEDMP COCC#CC[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001266320570 826981861 /nfs/dbraw/zinc/98/18/61/826981861.db2.gz MHLOKCYJXODLSL-UHFFFAOYSA-N 2 1 255.362 -0.364 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266359436 826988853 /nfs/dbraw/zinc/98/88/53/826988853.db2.gz VIIGIDBZFXONJW-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266359436 826988857 /nfs/dbraw/zinc/98/88/57/826988857.db2.gz VIIGIDBZFXONJW-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266359436 826988866 /nfs/dbraw/zinc/98/88/66/826988866.db2.gz VIIGIDBZFXONJW-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266359436 826988870 /nfs/dbraw/zinc/98/88/70/826988870.db2.gz VIIGIDBZFXONJW-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266666920 827044337 /nfs/dbraw/zinc/04/43/37/827044337.db2.gz JBGVCDFZUSSFRT-ZDUSSCGKSA-N 2 1 283.372 -0.985 20 30 CBEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266666920 827044325 /nfs/dbraw/zinc/04/43/25/827044325.db2.gz JBGVCDFZUSSFRT-ZDUSSCGKSA-N 2 1 283.372 -0.985 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCO ZINC001266728629 827057745 /nfs/dbraw/zinc/05/77/45/827057745.db2.gz DZTWGGDVXXLSMN-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCO ZINC001266728629 827057754 /nfs/dbraw/zinc/05/77/54/827057754.db2.gz DZTWGGDVXXLSMN-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001269186620 827472816 /nfs/dbraw/zinc/47/28/16/827472816.db2.gz CJFXQTNCNCUZFE-CQSZACIVSA-N 2 1 291.395 -0.078 20 30 CBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001269186620 827472819 /nfs/dbraw/zinc/47/28/19/827472819.db2.gz CJFXQTNCNCUZFE-CQSZACIVSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001270371505 827561623 /nfs/dbraw/zinc/56/16/23/827561623.db2.gz HXXVRDDDUSIFCB-OLZOCXBDSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001270594756 827581049 /nfs/dbraw/zinc/58/10/49/827581049.db2.gz JKWYELJBMHRJKC-STQMWFEESA-N 2 1 294.399 -0.971 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001271191677 827674859 /nfs/dbraw/zinc/67/48/59/827674859.db2.gz GKCGSWKTQMRPJK-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001271191677 827674862 /nfs/dbraw/zinc/67/48/62/827674862.db2.gz GKCGSWKTQMRPJK-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001271191677 827674864 /nfs/dbraw/zinc/67/48/64/827674864.db2.gz GKCGSWKTQMRPJK-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001272257999 827775040 /nfs/dbraw/zinc/77/50/40/827775040.db2.gz AJRISSHEAUSDGH-CYBMUJFWSA-N 2 1 269.389 -0.075 20 30 CBEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001273496190 827902881 /nfs/dbraw/zinc/90/28/81/827902881.db2.gz WTCIPYZAZCSEQZ-ZDUSSCGKSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001273496190 827902890 /nfs/dbraw/zinc/90/28/90/827902890.db2.gz WTCIPYZAZCSEQZ-ZDUSSCGKSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273496190 827902893 /nfs/dbraw/zinc/90/28/93/827902893.db2.gz WTCIPYZAZCSEQZ-ZDUSSCGKSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273496190 827902894 /nfs/dbraw/zinc/90/28/94/827902894.db2.gz WTCIPYZAZCSEQZ-ZDUSSCGKSA-N 2 1 267.373 -0.270 20 30 CBEDMP C=C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273880318 827935540 /nfs/dbraw/zinc/93/55/40/827935540.db2.gz AHXWJBXNCIGPTF-ZFWWWQNUSA-N 2 1 297.399 -0.602 20 30 CBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274986218 828047632 /nfs/dbraw/zinc/04/76/32/828047632.db2.gz OLSQDTXSCVPICC-VXGBXAGGSA-N 2 1 295.387 -0.938 20 30 CBEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277629165 828198946 /nfs/dbraw/zinc/19/89/46/828198946.db2.gz FVDMMGDNRFMMKO-UONOGXRCSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277629165 828198947 /nfs/dbraw/zinc/19/89/47/828198947.db2.gz FVDMMGDNRFMMKO-UONOGXRCSA-N 2 1 279.384 -0.223 20 30 CBEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001278849273 828297348 /nfs/dbraw/zinc/29/73/48/828297348.db2.gz AVPRBRZGYQFZCZ-OLZOCXBDSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001278849273 828297353 /nfs/dbraw/zinc/29/73/53/828297353.db2.gz AVPRBRZGYQFZCZ-OLZOCXBDSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278849273 828297355 /nfs/dbraw/zinc/29/73/55/828297355.db2.gz AVPRBRZGYQFZCZ-OLZOCXBDSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278849273 828297360 /nfs/dbraw/zinc/29/73/60/828297360.db2.gz AVPRBRZGYQFZCZ-OLZOCXBDSA-N 2 1 285.388 -0.746 20 30 CBEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001279531172 828330944 /nfs/dbraw/zinc/33/09/44/828330944.db2.gz ZHESSTWNELRBLP-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001279531172 828330951 /nfs/dbraw/zinc/33/09/51/828330951.db2.gz ZHESSTWNELRBLP-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001279531172 828330961 /nfs/dbraw/zinc/33/09/61/828330961.db2.gz ZHESSTWNELRBLP-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001279531172 828330968 /nfs/dbraw/zinc/33/09/68/828330968.db2.gz ZHESSTWNELRBLP-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001332548038 887348768 /nfs/dbraw/zinc/34/87/68/887348768.db2.gz WMACQQREQNOUKN-GFCCVEGCSA-N 2 1 264.329 -0.766 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188146148 884721580 /nfs/dbraw/zinc/72/15/80/884721580.db2.gz WBZLRCCVPGDSOS-CYBMUJFWSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001328155726 885585881 /nfs/dbraw/zinc/58/58/81/885585881.db2.gz LTSLSCCHPPOEPO-CYBMUJFWSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001328559173 885726188 /nfs/dbraw/zinc/72/61/88/885726188.db2.gz TXSMXKSVAFEDPU-CQSZACIVSA-N 2 1 293.411 -0.096 20 30 CBEDMP C[N@H+](C[C@H](O)C[NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC001329143419 885948647 /nfs/dbraw/zinc/94/86/47/885948647.db2.gz UXCDMNKTUJVNMS-LLVKDONJSA-N 2 1 264.333 -0.806 20 30 CBEDMP C[N@@H+](C[C@H](O)C[NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC001329143419 885948653 /nfs/dbraw/zinc/94/86/53/885948653.db2.gz UXCDMNKTUJVNMS-LLVKDONJSA-N 2 1 264.333 -0.806 20 30 CBEDMP CN(CCC#N)C[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC001329425780 886059328 /nfs/dbraw/zinc/05/93/28/886059328.db2.gz AQZQGTYQFSDZIG-OAHLLOKOSA-N 2 1 298.431 -0.371 20 30 CBEDMP C=CCNC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330289859 886411460 /nfs/dbraw/zinc/41/14/60/886411460.db2.gz OOAZVUMAKZYJQB-UHFFFAOYSA-N 2 1 292.387 -0.454 20 30 CBEDMP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001331112452 886678397 /nfs/dbraw/zinc/67/83/97/886678397.db2.gz YSRFHCZVAODTPA-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001331112452 886678404 /nfs/dbraw/zinc/67/84/04/886678404.db2.gz YSRFHCZVAODTPA-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001331112452 886678410 /nfs/dbraw/zinc/67/84/10/886678410.db2.gz YSRFHCZVAODTPA-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001331112452 886678417 /nfs/dbraw/zinc/67/84/17/886678417.db2.gz YSRFHCZVAODTPA-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001332522066 887335405 /nfs/dbraw/zinc/33/54/05/887335405.db2.gz MLUMXSLZPIBWLE-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CC#N ZINC001332698584 887409310 /nfs/dbraw/zinc/40/93/10/887409310.db2.gz HZDTVMXUGXOVRE-CYBMUJFWSA-N 2 1 254.378 -0.170 20 30 CBEDMP C#CC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC001340202111 889407495 /nfs/dbraw/zinc/40/74/95/889407495.db2.gz UUUOVTRGCGDXOC-GFCCVEGCSA-N 2 1 253.346 -0.706 20 30 CBEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001346250240 890251380 /nfs/dbraw/zinc/25/13/80/890251380.db2.gz CISOYZHKVKNRQE-JKSUJKDBSA-N 2 1 296.411 -0.034 20 30 CBEDMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC#CC[NH+](C)C ZINC001347143336 890416145 /nfs/dbraw/zinc/41/61/45/890416145.db2.gz PDITWUYBEFBEPR-CHWSQXEVSA-N 2 1 264.373 -0.944 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001348199531 890572490 /nfs/dbraw/zinc/57/24/90/890572490.db2.gz GQHSWFXPJLLGMB-SOUVJXGZSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001348199531 890572500 /nfs/dbraw/zinc/57/25/00/890572500.db2.gz GQHSWFXPJLLGMB-SOUVJXGZSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001348199531 890572511 /nfs/dbraw/zinc/57/25/11/890572511.db2.gz GQHSWFXPJLLGMB-SOUVJXGZSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001348199531 890572520 /nfs/dbraw/zinc/57/25/20/890572520.db2.gz GQHSWFXPJLLGMB-SOUVJXGZSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001352535909 891268445 /nfs/dbraw/zinc/26/84/45/891268445.db2.gz MDWKQZHHTNTYOX-ZFWWWQNUSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001352535909 891268451 /nfs/dbraw/zinc/26/84/51/891268451.db2.gz MDWKQZHHTNTYOX-ZFWWWQNUSA-N 2 1 279.384 -0.391 20 30 CBEDMP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC001353325456 891405268 /nfs/dbraw/zinc/40/52/68/891405268.db2.gz AYFPXBNPOMXCOT-RYUDHWBXSA-N 2 1 255.362 -0.057 20 30 CBEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001357351656 891871816 /nfs/dbraw/zinc/87/18/16/891871816.db2.gz VSCVGVNRQHJZEG-CYBMUJFWSA-N 2 1 296.415 -0.050 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001369377647 896246354 /nfs/dbraw/zinc/24/63/54/896246354.db2.gz FTXMOYJYELDBDI-NSHDSACASA-N 2 1 287.791 -0.099 20 30 CBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001502600568 921370434 /nfs/dbraw/zinc/37/04/34/921370434.db2.gz XSPMTENXXKFRQN-OAHLLOKOSA-N 2 1 290.367 -0.232 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001505434727 921428035 /nfs/dbraw/zinc/42/80/35/921428035.db2.gz XTEIGPBYQGQKGT-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001505434727 921428045 /nfs/dbraw/zinc/42/80/45/921428045.db2.gz XTEIGPBYQGQKGT-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCO ZINC001505434727 921428051 /nfs/dbraw/zinc/42/80/51/921428051.db2.gz XTEIGPBYQGQKGT-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCO ZINC001505434727 921428063 /nfs/dbraw/zinc/42/80/63/921428063.db2.gz XTEIGPBYQGQKGT-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507232359 921765485 /nfs/dbraw/zinc/76/54/85/921765485.db2.gz KJAKPHYEKGFTPV-STQMWFEESA-N 2 1 267.373 -0.582 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507233719 921769598 /nfs/dbraw/zinc/76/95/98/921769598.db2.gz TYUFVYZXJOKLSU-RYUDHWBXSA-N 2 1 253.346 -0.972 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001471631222 915608616 /nfs/dbraw/zinc/60/86/16/915608616.db2.gz VKQMQNQHPYDQCB-QWHCGFSZSA-N 2 1 264.373 -0.103 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001471631220 915610031 /nfs/dbraw/zinc/61/00/31/915610031.db2.gz VKQMQNQHPYDQCB-CHWSQXEVSA-N 2 1 264.373 -0.103 20 30 CBEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482650060 917194945 /nfs/dbraw/zinc/19/49/45/917194945.db2.gz RNGSIRQTSMFKDS-AWEZNQCLSA-N 2 1 281.400 -0.022 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482714474 917223841 /nfs/dbraw/zinc/22/38/41/917223841.db2.gz BTHKPDJFUMOFEF-NEPJUHHUSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482736404 917243397 /nfs/dbraw/zinc/24/33/97/917243397.db2.gz WTBFRNCIDVWTSA-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482736402 917244675 /nfs/dbraw/zinc/24/46/75/917244675.db2.gz WTBFRNCIDVWTSA-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482796799 917287407 /nfs/dbraw/zinc/28/74/07/917287407.db2.gz DQBKGNIYRPYEMQ-OLZOCXBDSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482796799 917287421 /nfs/dbraw/zinc/28/74/21/917287421.db2.gz DQBKGNIYRPYEMQ-OLZOCXBDSA-N 2 1 285.388 -0.650 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482913724 917333970 /nfs/dbraw/zinc/33/39/70/917333970.db2.gz BIPVBKXJUNMFEB-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC ZINC001483136505 917429200 /nfs/dbraw/zinc/42/92/00/917429200.db2.gz VEWMMMWERQUQMC-MCIONIFRSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC ZINC001483136505 917429208 /nfs/dbraw/zinc/42/92/08/917429208.db2.gz VEWMMMWERQUQMC-MCIONIFRSA-N 2 1 297.399 -0.814 20 30 CBEDMP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001483295017 917509257 /nfs/dbraw/zinc/50/92/57/917509257.db2.gz IHOVHROKAWRUGN-RYUDHWBXSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001483295017 917509268 /nfs/dbraw/zinc/50/92/68/917509268.db2.gz IHOVHROKAWRUGN-RYUDHWBXSA-N 2 1 255.362 -0.013 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483319380 917526037 /nfs/dbraw/zinc/52/60/37/917526037.db2.gz IYRVYHAGNJCYKM-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483319380 917526056 /nfs/dbraw/zinc/52/60/56/917526056.db2.gz IYRVYHAGNJCYKM-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483319380 917526069 /nfs/dbraw/zinc/52/60/69/917526069.db2.gz IYRVYHAGNJCYKM-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483319380 917526082 /nfs/dbraw/zinc/52/60/82/917526082.db2.gz IYRVYHAGNJCYKM-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483325445 917528126 /nfs/dbraw/zinc/52/81/26/917528126.db2.gz YXQOTISGAAXHBO-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483325445 917528136 /nfs/dbraw/zinc/52/81/36/917528136.db2.gz YXQOTISGAAXHBO-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483325445 917528142 /nfs/dbraw/zinc/52/81/42/917528142.db2.gz YXQOTISGAAXHBO-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483325445 917528154 /nfs/dbraw/zinc/52/81/54/917528154.db2.gz YXQOTISGAAXHBO-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001483325448 917529847 /nfs/dbraw/zinc/52/98/47/917529847.db2.gz YXQOTISGAAXHBO-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001483325448 917529861 /nfs/dbraw/zinc/52/98/61/917529861.db2.gz YXQOTISGAAXHBO-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483325448 917529871 /nfs/dbraw/zinc/52/98/71/917529871.db2.gz YXQOTISGAAXHBO-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483325448 917529883 /nfs/dbraw/zinc/52/98/83/917529883.db2.gz YXQOTISGAAXHBO-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484246254 917783077 /nfs/dbraw/zinc/78/30/77/917783077.db2.gz HOJVZVSFLRYOQC-HIFRSBDPSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246719 917784442 /nfs/dbraw/zinc/78/44/42/917784442.db2.gz NYXOQZBBFJYGLR-MRXNPFEDSA-N 2 1 291.395 -0.342 20 30 CBEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484246256 917784720 /nfs/dbraw/zinc/78/47/20/917784720.db2.gz HOJVZVSFLRYOQC-ZFWWWQNUSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001485088906 917992552 /nfs/dbraw/zinc/99/25/52/917992552.db2.gz QEBZJXCQFZLWCD-BPCQOVAHSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001485088906 917992565 /nfs/dbraw/zinc/99/25/65/917992565.db2.gz QEBZJXCQFZLWCD-BPCQOVAHSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485860472 918215085 /nfs/dbraw/zinc/21/50/85/918215085.db2.gz AYHHTKSDKPSPFC-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485860472 918215099 /nfs/dbraw/zinc/21/50/99/918215099.db2.gz AYHHTKSDKPSPFC-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053201 918345658 /nfs/dbraw/zinc/34/56/58/918345658.db2.gz WCCDCIDLMICYGT-RYUDHWBXSA-N 2 1 255.362 -0.419 20 30 CBEDMP N#CCN1CC[NH+](CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001490477014 918909565 /nfs/dbraw/zinc/90/95/65/918909565.db2.gz PJKFHJVNLBQJHJ-UHFFFAOYSA-N 2 1 293.415 -0.270 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001491062581 919015623 /nfs/dbraw/zinc/01/56/23/919015623.db2.gz BYOMFACXKBATRZ-BETUJISGSA-N 2 1 265.357 -0.421 20 30 CBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491069935 919022982 /nfs/dbraw/zinc/02/29/82/919022982.db2.gz HGDSWCKFSIFHSI-TXEJJXNPSA-N 2 1 295.387 -0.795 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOC ZINC001491487169 919181164 /nfs/dbraw/zinc/18/11/64/919181164.db2.gz WGLSEQWUZPGXMU-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOC ZINC001491487169 919181178 /nfs/dbraw/zinc/18/11/78/919181178.db2.gz WGLSEQWUZPGXMU-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001491992138 919305521 /nfs/dbraw/zinc/30/55/21/919305521.db2.gz KSRPRJTWYNQMHI-CHWSQXEVSA-N 2 1 296.415 -0.133 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496978447 920190561 /nfs/dbraw/zinc/19/05/61/920190561.db2.gz CRDQNALOIZQYPB-JHJVBQTASA-N 2 1 269.389 -0.031 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497113680 920254435 /nfs/dbraw/zinc/25/44/35/920254435.db2.gz LLEGNLZUWJIAMG-VXGBXAGGSA-N 2 1 253.346 -0.972 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001497361389 920292529 /nfs/dbraw/zinc/29/25/29/920292529.db2.gz FOCHUAYLKHIATH-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497817926 920404310 /nfs/dbraw/zinc/40/43/10/920404310.db2.gz MMMRJSRFVVNZDL-IJLUTSLNSA-N 2 1 295.387 -0.939 20 30 CBEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498654721 920622512 /nfs/dbraw/zinc/62/25/12/920622512.db2.gz IHBNNBQBVLIWHK-LBPRGKRZSA-N 2 1 295.387 -0.984 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001500722983 920868418 /nfs/dbraw/zinc/86/84/18/920868418.db2.gz YTVGHLXRHVKLOZ-INIZCTEOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001501345421 920973110 /nfs/dbraw/zinc/97/31/10/920973110.db2.gz IBZAGPURADCJSB-MRXNPFEDSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001501345421 920973127 /nfs/dbraw/zinc/97/31/27/920973127.db2.gz IBZAGPURADCJSB-MRXNPFEDSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC001522482367 922420358 /nfs/dbraw/zinc/42/03/58/922420358.db2.gz NPIFEAZWBQFSTM-UHFFFAOYSA-N 2 1 287.367 -0.404 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001545547458 923315666 /nfs/dbraw/zinc/31/56/66/923315666.db2.gz LDCGSFXIZNSYIU-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001545547458 923315680 /nfs/dbraw/zinc/31/56/80/923315680.db2.gz LDCGSFXIZNSYIU-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180339 351580248 /nfs/dbraw/zinc/58/02/48/351580248.db2.gz FNRPILSJEYCODQ-RYUDHWBXSA-N 2 1 282.388 -0.536 20 30 CBEDMP OC[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1CO ZINC000351266423 353475182 /nfs/dbraw/zinc/47/51/82/353475182.db2.gz DJVINPBQWZOVRB-OKILXGFUSA-N 2 1 252.358 -0.097 20 30 CBEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000595974926 355332908 /nfs/dbraw/zinc/33/29/08/355332908.db2.gz BTXGDTAZRBDLJU-ZIAGYGMSSA-N 2 1 293.415 -0.096 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325678 355585234 /nfs/dbraw/zinc/58/52/34/355585234.db2.gz FGNFJRJQOOBWKY-OUAUKWLOSA-N 2 1 268.361 -0.087 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325678 355585236 /nfs/dbraw/zinc/58/52/36/355585236.db2.gz FGNFJRJQOOBWKY-OUAUKWLOSA-N 2 1 268.361 -0.087 20 30 CBEDMP C=CCN1CC[C@H]([N@H+](C)CCOCC[NH2+]C)C1=O ZINC000629572396 356780606 /nfs/dbraw/zinc/78/06/06/356780606.db2.gz RSDZAYOANMKIJO-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424143897 373665388 /nfs/dbraw/zinc/66/53/88/373665388.db2.gz KCCXYLHTUBUQDB-AVGNSLFASA-N 2 1 282.388 -0.079 20 30 CBEDMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424143897 373665398 /nfs/dbraw/zinc/66/53/98/373665398.db2.gz KCCXYLHTUBUQDB-AVGNSLFASA-N 2 1 282.388 -0.079 20 30 CBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccon1 ZINC000261747737 220244227 /nfs/dbraw/zinc/24/42/27/220244227.db2.gz LLYBAWSWIMPBEW-CYBMUJFWSA-N 2 1 294.403 -0.072 20 30 CBEDMP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262002167 220247825 /nfs/dbraw/zinc/24/78/25/220247825.db2.gz USHMVRVMLXJOHB-ZYHUDNBSSA-N 2 1 281.404 -0.278 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(C)n1 ZINC000263127975 220260960 /nfs/dbraw/zinc/26/09/60/220260960.db2.gz FYMVBZQRSZWREP-LLVKDONJSA-N 2 1 265.365 -0.296 20 30 CBEDMP C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262842850 220257757 /nfs/dbraw/zinc/25/77/57/220257757.db2.gz XSLPNCZWGYMMBM-LLVKDONJSA-N 2 1 279.388 -0.333 20 30 CBEDMP C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262842850 220257762 /nfs/dbraw/zinc/25/77/62/220257762.db2.gz XSLPNCZWGYMMBM-LLVKDONJSA-N 2 1 279.388 -0.333 20 30 CBEDMP C[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262773487 220258344 /nfs/dbraw/zinc/25/83/44/220258344.db2.gz KHZQUQAEMNXEQR-WCQYABFASA-N 2 1 282.388 -0.197 20 30 CBEDMP C[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262773487 220258348 /nfs/dbraw/zinc/25/83/48/220258348.db2.gz KHZQUQAEMNXEQR-WCQYABFASA-N 2 1 282.388 -0.197 20 30 CBEDMP Cn1ccnc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264316269 220263235 /nfs/dbraw/zinc/26/32/35/220263235.db2.gz WCBTVTSICLGPHI-UHFFFAOYSA-N 2 1 280.376 -0.453 20 30 CBEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000264082243 220264159 /nfs/dbraw/zinc/26/41/59/220264159.db2.gz HREJSZZLJOLFAF-UHFFFAOYSA-N 2 1 294.403 -0.182 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303884374 220325981 /nfs/dbraw/zinc/32/59/81/220325981.db2.gz MSNITUMLRWZCFK-LBPRGKRZSA-N 2 1 271.409 -0.437 20 30 CBEDMP C=CCN1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647836188 419667818 /nfs/dbraw/zinc/66/78/18/419667818.db2.gz JOLDAMJWEWUOFG-ZDUSSCGKSA-N 2 1 266.389 -0.390 20 30 CBEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647836187 419669316 /nfs/dbraw/zinc/66/93/16/419669316.db2.gz JOLDAMJWEWUOFG-CYBMUJFWSA-N 2 1 266.389 -0.390 20 30 CBEDMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCc1[nH]nc(N)c1C#N ZINC000563352233 420437234 /nfs/dbraw/zinc/43/72/34/420437234.db2.gz HCMPMFJUDRSBIE-NSHDSACASA-N 2 1 294.403 0.041 20 30 CBEDMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCc1[nH]nc(N)c1C#N ZINC000563352233 420437236 /nfs/dbraw/zinc/43/72/36/420437236.db2.gz HCMPMFJUDRSBIE-NSHDSACASA-N 2 1 294.403 0.041 20 30 CBEDMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000563352233 420437238 /nfs/dbraw/zinc/43/72/38/420437238.db2.gz HCMPMFJUDRSBIE-NSHDSACASA-N 2 1 294.403 0.041 20 30 CBEDMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000563352233 420437241 /nfs/dbraw/zinc/43/72/41/420437241.db2.gz HCMPMFJUDRSBIE-NSHDSACASA-N 2 1 294.403 0.041 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COCCO1 ZINC000262011839 276170714 /nfs/dbraw/zinc/17/07/14/276170714.db2.gz UJMLPTQVGAPWKU-VXGBXAGGSA-N 2 1 270.377 -0.210 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cncn1 ZINC000264149555 276184277 /nfs/dbraw/zinc/18/42/77/276184277.db2.gz YVPJXCUFYSNGOP-NSHDSACASA-N 2 1 265.365 -0.333 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262758927 276371196 /nfs/dbraw/zinc/37/11/96/276371196.db2.gz FFZOBYVJSJSYBX-KGLIPLIRSA-N 3 1 294.447 -0.625 20 30 CBEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN2CCN1CC2 ZINC000262758927 276371197 /nfs/dbraw/zinc/37/11/97/276371197.db2.gz FFZOBYVJSJSYBX-KGLIPLIRSA-N 2 1 294.447 -0.625 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN2CCN1CC2 ZINC000262758927 276371198 /nfs/dbraw/zinc/37/11/98/276371198.db2.gz FFZOBYVJSJSYBX-KGLIPLIRSA-N 2 1 294.447 -0.625 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000262728027 276371397 /nfs/dbraw/zinc/37/13/97/276371397.db2.gz HPNUVACYOXJBAB-SCRDCRAPSA-N 2 1 284.404 -0.085 20 30 CBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262506264 277102263 /nfs/dbraw/zinc/10/22/63/277102263.db2.gz BJTWWMFUTRLXSU-LLVKDONJSA-N 2 1 271.434 -0.404 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000491339901 332193366 /nfs/dbraw/zinc/19/33/66/332193366.db2.gz UBFYDMLMRQGDQG-AWEZNQCLSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000491339901 332193367 /nfs/dbraw/zinc/19/33/67/332193367.db2.gz UBFYDMLMRQGDQG-AWEZNQCLSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000491339901 332193369 /nfs/dbraw/zinc/19/33/69/332193369.db2.gz UBFYDMLMRQGDQG-AWEZNQCLSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000491567047 332239271 /nfs/dbraw/zinc/23/92/71/332239271.db2.gz JIDMQXVCNSKVCH-UHFFFAOYSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000491733074 332314246 /nfs/dbraw/zinc/31/42/46/332314246.db2.gz BDAUNVQPJXHLCX-OLZOCXBDSA-N 2 1 264.373 -0.055 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000491820056 332369938 /nfs/dbraw/zinc/36/99/38/332369938.db2.gz WQEHVQMXHDZEMY-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000491820056 332369939 /nfs/dbraw/zinc/36/99/39/332369939.db2.gz WQEHVQMXHDZEMY-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000491820056 332369940 /nfs/dbraw/zinc/36/99/40/332369940.db2.gz WQEHVQMXHDZEMY-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000491820056 332369941 /nfs/dbraw/zinc/36/99/41/332369941.db2.gz WQEHVQMXHDZEMY-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000187295601 333169369 /nfs/dbraw/zinc/16/93/69/333169369.db2.gz AQIQFBIPENMILM-CQSZACIVSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000187295601 333169371 /nfs/dbraw/zinc/16/93/71/333169371.db2.gz AQIQFBIPENMILM-CQSZACIVSA-N 2 1 293.411 -0.143 20 30 CBEDMP CCCNC(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104156388 582113179 /nfs/dbraw/zinc/11/31/79/582113179.db2.gz VNNDNMNKFPRABK-UHFFFAOYSA-N 2 1 285.392 -0.861 20 30 CBEDMP C#C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000801544173 582424696 /nfs/dbraw/zinc/42/46/96/582424696.db2.gz BTODXYAZYAIMGL-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986329 582524287 /nfs/dbraw/zinc/52/42/87/582524287.db2.gz KYFPQXKBYIAESH-STQMWFEESA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986329 582524289 /nfs/dbraw/zinc/52/42/89/582524289.db2.gz KYFPQXKBYIAESH-STQMWFEESA-N 2 1 265.357 -0.421 20 30 CBEDMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843460602 583222061 /nfs/dbraw/zinc/22/20/61/583222061.db2.gz HXJDMVVEIFDGMB-NDMJEZRESA-N 2 1 274.324 -0.077 20 30 CBEDMP C#CCC[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000846837989 583389017 /nfs/dbraw/zinc/38/90/17/583389017.db2.gz UBYRBZDZCIDHRJ-CQSZACIVSA-N 2 1 253.390 -0.060 20 30 CBEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NCCN1CCOCC1 ZINC000849000186 583466022 /nfs/dbraw/zinc/46/60/22/583466022.db2.gz UNEKUNBNMCBCHX-UHFFFAOYSA-N 2 1 294.403 -0.311 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708297 583550919 /nfs/dbraw/zinc/55/09/19/583550919.db2.gz WEOYCGDNPRUSJU-AWEZNQCLSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708297 583550920 /nfs/dbraw/zinc/55/09/20/583550920.db2.gz WEOYCGDNPRUSJU-AWEZNQCLSA-N 2 1 279.384 -0.343 20 30 CBEDMP COCC[N@@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852863851 583563746 /nfs/dbraw/zinc/56/37/46/583563746.db2.gz JOUOUFVWTSBHLJ-UHFFFAOYSA-N 2 1 267.373 -0.316 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000852914334 583574016 /nfs/dbraw/zinc/57/40/16/583574016.db2.gz SWYHZASBAQUNLO-OAHLLOKOSA-N 2 1 290.411 -0.505 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854353288 583600183 /nfs/dbraw/zinc/60/01/83/583600183.db2.gz VTYNXFMVQBNHIL-ZDUSSCGKSA-N 2 1 266.389 -0.390 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000854353287 583600214 /nfs/dbraw/zinc/60/02/14/583600214.db2.gz VTYNXFMVQBNHIL-CYBMUJFWSA-N 2 1 266.389 -0.390 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861713586 583780529 /nfs/dbraw/zinc/78/05/29/583780529.db2.gz DFFKNJWVGFHNBX-OLZOCXBDSA-N 2 1 267.373 -0.228 20 30 CBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000876783388 584144543 /nfs/dbraw/zinc/14/45/43/584144543.db2.gz AKHBYTIHACLSID-WDEREUQCSA-N 2 1 274.796 -0.182 20 30 CBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000876972505 584159110 /nfs/dbraw/zinc/15/91/10/584159110.db2.gz LDCJKHWCENPEBP-NEPJUHHUSA-N 2 1 286.807 -0.038 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C)C1 ZINC000890369196 584549417 /nfs/dbraw/zinc/54/94/17/584549417.db2.gz SCXJLMZBHJARAN-LBPRGKRZSA-N 2 1 252.362 -0.055 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C)C1 ZINC000890369196 584549419 /nfs/dbraw/zinc/54/94/19/584549419.db2.gz SCXJLMZBHJARAN-LBPRGKRZSA-N 2 1 252.362 -0.055 20 30 CBEDMP C#CC1(O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000895666861 584684317 /nfs/dbraw/zinc/68/43/17/584684317.db2.gz SXADIQPUCUYUIM-ZDUSSCGKSA-N 2 1 296.415 -0.352 20 30 CBEDMP C#CC1(O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000895666861 584684318 /nfs/dbraw/zinc/68/43/18/584684318.db2.gz SXADIQPUCUYUIM-ZDUSSCGKSA-N 2 1 296.415 -0.352 20 30 CBEDMP C[NH+]1CCC(C#N)(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900607539 584815984 /nfs/dbraw/zinc/81/59/84/584815984.db2.gz DNJCBKMUVZLTGM-HNNXBMFYSA-N 2 1 294.399 -0.063 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970763583 612963603 /nfs/dbraw/zinc/96/36/03/612963603.db2.gz SKZDSLPHRREIHB-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970763583 612963605 /nfs/dbraw/zinc/96/36/05/612963605.db2.gz SKZDSLPHRREIHB-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962670367 613043977 /nfs/dbraw/zinc/04/39/77/613043977.db2.gz UTOACFULWMMFKU-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000962670367 613043979 /nfs/dbraw/zinc/04/39/79/613043979.db2.gz UTOACFULWMMFKU-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962670367 613043981 /nfs/dbraw/zinc/04/39/81/613043981.db2.gz UTOACFULWMMFKU-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962670367 613043982 /nfs/dbraw/zinc/04/39/82/613043982.db2.gz UTOACFULWMMFKU-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000960344369 613203029 /nfs/dbraw/zinc/20/30/29/613203029.db2.gz GVUPIPYVDCVFMX-RFQIPJPRSA-N 2 1 277.368 -0.877 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000960344369 613203031 /nfs/dbraw/zinc/20/30/31/613203031.db2.gz GVUPIPYVDCVFMX-RFQIPJPRSA-N 2 1 277.368 -0.877 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000960344369 613203033 /nfs/dbraw/zinc/20/30/33/613203033.db2.gz GVUPIPYVDCVFMX-RFQIPJPRSA-N 2 1 277.368 -0.877 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21 ZINC000960344369 613203035 /nfs/dbraw/zinc/20/30/35/613203035.db2.gz GVUPIPYVDCVFMX-RFQIPJPRSA-N 2 1 277.368 -0.877 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958268716 613286935 /nfs/dbraw/zinc/28/69/35/613286935.db2.gz XHFCJJGLOYYGDJ-DZGCQCFKSA-N 2 1 298.346 -0.010 20 30 CBEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958473437 613345221 /nfs/dbraw/zinc/34/52/21/613345221.db2.gz AEPFLTGERMTVFW-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958473437 613345222 /nfs/dbraw/zinc/34/52/22/613345222.db2.gz AEPFLTGERMTVFW-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958473437 613345223 /nfs/dbraw/zinc/34/52/23/613345223.db2.gz AEPFLTGERMTVFW-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958473437 613345224 /nfs/dbraw/zinc/34/52/24/613345224.db2.gz AEPFLTGERMTVFW-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962673382 613637631 /nfs/dbraw/zinc/63/76/31/613637631.db2.gz ZMHSMADCNAPGJC-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962673382 613637633 /nfs/dbraw/zinc/63/76/33/613637633.db2.gz ZMHSMADCNAPGJC-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962673382 613637635 /nfs/dbraw/zinc/63/76/35/613637635.db2.gz ZMHSMADCNAPGJC-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962673382 613637637 /nfs/dbraw/zinc/63/76/37/613637637.db2.gz ZMHSMADCNAPGJC-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP [NH2+]=C(NCCCn1ccnn1)NCCC[NH+]1CCOCC1 ZINC000181493214 656092025 /nfs/dbraw/zinc/09/20/25/656092025.db2.gz FGGBGLIPMHQPOP-UHFFFAOYSA-N 2 1 295.391 -0.705 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000195522566 656104373 /nfs/dbraw/zinc/10/43/73/656104373.db2.gz BZNJKPIWDVNWBM-GFCCVEGCSA-N 2 1 297.403 -0.766 20 30 CBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NC[C@@]1(C)CCCO1 ZINC000261739462 656125764 /nfs/dbraw/zinc/12/57/64/656125764.db2.gz KMFQHKJXPKEXBU-UKRRQHHQSA-N 2 1 297.447 -0.034 20 30 CBEDMP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000303371358 656138811 /nfs/dbraw/zinc/13/88/11/656138811.db2.gz KXKZDAZVTUCENA-KBPBESRZSA-N 2 1 297.447 -0.047 20 30 CBEDMP COCCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303385975 656138980 /nfs/dbraw/zinc/13/89/80/656138980.db2.gz WDQGCBOERHQQTQ-GFCCVEGCSA-N 2 1 271.409 -0.579 20 30 CBEDMP CCCNC(=O)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303775078 656139790 /nfs/dbraw/zinc/13/97/90/656139790.db2.gz GPGTUFQMGMDNMR-LLVKDONJSA-N 2 1 269.393 -0.099 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000303882724 656139832 /nfs/dbraw/zinc/13/98/32/656139832.db2.gz IJAFAFIWNKFGBU-ZDUSSCGKSA-N 2 1 283.420 -0.565 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)CCOC ZINC000303979842 656140099 /nfs/dbraw/zinc/14/00/99/656140099.db2.gz NPAZDRWKORFBOB-CYBMUJFWSA-N 2 1 285.436 -0.047 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1cccn1 ZINC000303894368 656140203 /nfs/dbraw/zinc/14/02/03/656140203.db2.gz SOYDQTRHIZCIIG-UHFFFAOYSA-N 2 1 280.376 -0.490 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304762210 656140862 /nfs/dbraw/zinc/14/08/62/656140862.db2.gz VJUQVSGJQBRBGZ-NWDGAFQWSA-N 2 1 272.393 -0.106 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999393771 656628893 /nfs/dbraw/zinc/62/88/93/656628893.db2.gz YGLLOGLOMCARPN-KBPBESRZSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999393771 656628896 /nfs/dbraw/zinc/62/88/96/656628896.db2.gz YGLLOGLOMCARPN-KBPBESRZSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000908437496 656726546 /nfs/dbraw/zinc/72/65/46/656726546.db2.gz PFIYMVGUGINSPH-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908437496 656726555 /nfs/dbraw/zinc/72/65/55/656726555.db2.gz PFIYMVGUGINSPH-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908437496 656726572 /nfs/dbraw/zinc/72/65/72/656726572.db2.gz PFIYMVGUGINSPH-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003056055 656846314 /nfs/dbraw/zinc/84/63/14/656846314.db2.gz KQNGIPKMEMJSJM-AWEZNQCLSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003056055 656846317 /nfs/dbraw/zinc/84/63/17/656846317.db2.gz KQNGIPKMEMJSJM-AWEZNQCLSA-N 2 1 279.384 -0.343 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911514952 657063654 /nfs/dbraw/zinc/06/36/54/657063654.db2.gz PKEJYQXIHULDIB-CYBMUJFWSA-N 2 1 267.373 -0.228 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911514952 657063658 /nfs/dbraw/zinc/06/36/58/657063658.db2.gz PKEJYQXIHULDIB-CYBMUJFWSA-N 2 1 267.373 -0.228 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000913524021 657492607 /nfs/dbraw/zinc/49/26/07/657492607.db2.gz WQRVJJVDPZIZEN-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001019800639 657944392 /nfs/dbraw/zinc/94/43/92/657944392.db2.gz SKZDSLPHRREIHB-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800639 657944401 /nfs/dbraw/zinc/94/44/01/657944401.db2.gz SKZDSLPHRREIHB-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C=CCN1CC[C@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923460864 658293780 /nfs/dbraw/zinc/29/37/80/658293780.db2.gz XCYBEZHJNSRVBN-LBPRGKRZSA-N 2 1 252.362 -0.732 20 30 CBEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC#CCO ZINC000923779245 658489654 /nfs/dbraw/zinc/48/96/54/658489654.db2.gz FCOHJKOSJYBAGQ-UHFFFAOYSA-N 2 1 296.415 -0.351 20 30 CBEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC#CCO ZINC000923779245 658489660 /nfs/dbraw/zinc/48/96/60/658489660.db2.gz FCOHJKOSJYBAGQ-UHFFFAOYSA-N 2 1 296.415 -0.351 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000928655794 659061007 /nfs/dbraw/zinc/06/10/07/659061007.db2.gz ZBMIZUDOKPPUMW-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000928655794 659061009 /nfs/dbraw/zinc/06/10/09/659061009.db2.gz ZBMIZUDOKPPUMW-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021926147 790971564 /nfs/dbraw/zinc/97/15/64/790971564.db2.gz DKCFJIKLFQGZSF-TUAOUCFPSA-N 2 1 253.346 -0.260 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021926147 790971570 /nfs/dbraw/zinc/97/15/70/790971570.db2.gz DKCFJIKLFQGZSF-TUAOUCFPSA-N 2 1 253.346 -0.260 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121604 790992263 /nfs/dbraw/zinc/99/22/63/790992263.db2.gz GTZASFHZCATQBJ-CRWXNKLISA-N 2 1 277.368 -0.280 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276855 791003115 /nfs/dbraw/zinc/00/31/15/791003115.db2.gz ROIKICLNZKHNTR-FVCCEPFGSA-N 2 1 265.357 -0.425 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276855 791003128 /nfs/dbraw/zinc/00/31/28/791003128.db2.gz ROIKICLNZKHNTR-FVCCEPFGSA-N 2 1 265.357 -0.425 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078007546 805824058 /nfs/dbraw/zinc/82/40/58/805824058.db2.gz SQBJWCKEDUDKBH-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078007546 805824067 /nfs/dbraw/zinc/82/40/67/805824067.db2.gz SQBJWCKEDUDKBH-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078007546 805824074 /nfs/dbraw/zinc/82/40/74/805824074.db2.gz SQBJWCKEDUDKBH-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078007546 805824080 /nfs/dbraw/zinc/82/40/80/805824080.db2.gz SQBJWCKEDUDKBH-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175254 805848507 /nfs/dbraw/zinc/84/85/07/805848507.db2.gz XLJDUGYAWMGVFG-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175254 805848517 /nfs/dbraw/zinc/84/85/17/805848517.db2.gz XLJDUGYAWMGVFG-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175254 805848526 /nfs/dbraw/zinc/84/85/26/805848526.db2.gz XLJDUGYAWMGVFG-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC)C[C@H]2O)CC1 ZINC001078227447 805858858 /nfs/dbraw/zinc/85/88/58/805858858.db2.gz ZSYZXPUUSDKNEN-ZIAGYGMSSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2O)CC1 ZINC001078227120 805859204 /nfs/dbraw/zinc/85/92/04/805859204.db2.gz JVBJKSUKGZYIJF-HUUCEWRRSA-N 2 1 293.411 -0.099 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900261 814926068 /nfs/dbraw/zinc/92/60/68/814926068.db2.gz KVLCMZAWQPWERA-OLZOCXBDSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900262 814926855 /nfs/dbraw/zinc/92/68/55/814926855.db2.gz KVLCMZAWQPWERA-QWHCGFSZSA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081675910 806114456 /nfs/dbraw/zinc/11/44/56/806114456.db2.gz LKSCQFLHUXGVGI-RRFJBIMHSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081675910 806114460 /nfs/dbraw/zinc/11/44/60/806114460.db2.gz LKSCQFLHUXGVGI-RRFJBIMHSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368830 806171769 /nfs/dbraw/zinc/17/17/69/806171769.db2.gz OOFHVMAQAYYUMY-YNEHKIRRSA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368830 806171774 /nfs/dbraw/zinc/17/17/74/806171774.db2.gz OOFHVMAQAYYUMY-YNEHKIRRSA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368830 806171778 /nfs/dbraw/zinc/17/17/78/806171778.db2.gz OOFHVMAQAYYUMY-YNEHKIRRSA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368830 806171785 /nfs/dbraw/zinc/17/17/85/806171785.db2.gz OOFHVMAQAYYUMY-YNEHKIRRSA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601822 806382325 /nfs/dbraw/zinc/38/23/25/806382325.db2.gz PMLOIUPQKXDXFL-KGLIPLIRSA-N 2 1 291.395 -0.201 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601822 806382334 /nfs/dbraw/zinc/38/23/34/806382334.db2.gz PMLOIUPQKXDXFL-KGLIPLIRSA-N 2 1 291.395 -0.201 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781917 806432284 /nfs/dbraw/zinc/43/22/84/806432284.db2.gz ZZTQINJZKULLTB-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781917 806432288 /nfs/dbraw/zinc/43/22/88/806432288.db2.gz ZZTQINJZKULLTB-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781917 806432291 /nfs/dbraw/zinc/43/22/91/806432291.db2.gz ZZTQINJZKULLTB-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2O)CC1 ZINC001084090442 806488679 /nfs/dbraw/zinc/48/86/79/806488679.db2.gz ZSYZXPUUSDKNEN-KGLIPLIRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797886 798977171 /nfs/dbraw/zinc/97/71/71/798977171.db2.gz YXSYBELVTCWJLW-QMIVOQANSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025797886 798977176 /nfs/dbraw/zinc/97/71/76/798977176.db2.gz YXSYBELVTCWJLW-QMIVOQANSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797886 798977178 /nfs/dbraw/zinc/97/71/78/798977178.db2.gz YXSYBELVTCWJLW-QMIVOQANSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001028334045 799124548 /nfs/dbraw/zinc/12/45/48/799124548.db2.gz VIBCHTMEKBNRHY-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028464871 799139551 /nfs/dbraw/zinc/13/95/51/799139551.db2.gz GMWIJQVDPSKDTJ-STQMWFEESA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028464871 799139556 /nfs/dbraw/zinc/13/95/56/799139556.db2.gz GMWIJQVDPSKDTJ-STQMWFEESA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028464871 799139561 /nfs/dbraw/zinc/13/95/61/799139561.db2.gz GMWIJQVDPSKDTJ-STQMWFEESA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028464871 799139565 /nfs/dbraw/zinc/13/95/65/799139565.db2.gz GMWIJQVDPSKDTJ-STQMWFEESA-N 2 1 265.357 -0.612 20 30 CBEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461581 799140892 /nfs/dbraw/zinc/14/08/92/799140892.db2.gz UZGVSBSYWHKZQZ-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461581 799140895 /nfs/dbraw/zinc/14/08/95/799140895.db2.gz UZGVSBSYWHKZQZ-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461581 799140899 /nfs/dbraw/zinc/14/08/99/799140899.db2.gz UZGVSBSYWHKZQZ-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461581 799140903 /nfs/dbraw/zinc/14/09/03/799140903.db2.gz UZGVSBSYWHKZQZ-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688859 799534195 /nfs/dbraw/zinc/53/41/95/799534195.db2.gz MRHOECXDNNEISV-LSDHHAIUSA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031742809 799539555 /nfs/dbraw/zinc/53/95/55/799539555.db2.gz SHGABDJIUHBBNS-AWEZNQCLSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031742809 799539557 /nfs/dbraw/zinc/53/95/57/799539557.db2.gz SHGABDJIUHBBNS-AWEZNQCLSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033161085 799722603 /nfs/dbraw/zinc/72/26/03/799722603.db2.gz JPDOZQAZPGWYND-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033161085 799722607 /nfs/dbraw/zinc/72/26/07/799722607.db2.gz JPDOZQAZPGWYND-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCO)C1 ZINC001033161085 799722610 /nfs/dbraw/zinc/72/26/10/799722610.db2.gz JPDOZQAZPGWYND-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCO)C1 ZINC001033161085 799722615 /nfs/dbraw/zinc/72/26/15/799722615.db2.gz JPDOZQAZPGWYND-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325865 799890991 /nfs/dbraw/zinc/89/09/91/799890991.db2.gz DLJAWXASIAQJTE-KBPBESRZSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325865 799890997 /nfs/dbraw/zinc/89/09/97/799890997.db2.gz DLJAWXASIAQJTE-KBPBESRZSA-N 2 1 297.399 -0.290 20 30 CBEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035615306 799952932 /nfs/dbraw/zinc/95/29/32/799952932.db2.gz XFDVOTPNLSCVTD-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035615306 799952937 /nfs/dbraw/zinc/95/29/37/799952937.db2.gz XFDVOTPNLSCVTD-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035615306 799952944 /nfs/dbraw/zinc/95/29/44/799952944.db2.gz XFDVOTPNLSCVTD-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035615306 799952949 /nfs/dbraw/zinc/95/29/49/799952949.db2.gz XFDVOTPNLSCVTD-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740249 801960226 /nfs/dbraw/zinc/96/02/26/801960226.db2.gz WKZRLELTJLOOPM-MJBXVCDLSA-N 2 1 277.368 -0.660 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740249 801960232 /nfs/dbraw/zinc/96/02/32/801960232.db2.gz WKZRLELTJLOOPM-MJBXVCDLSA-N 2 1 277.368 -0.660 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740249 801960234 /nfs/dbraw/zinc/96/02/34/801960234.db2.gz WKZRLELTJLOOPM-MJBXVCDLSA-N 2 1 277.368 -0.660 20 30 CBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740249 801960237 /nfs/dbraw/zinc/96/02/37/801960237.db2.gz WKZRLELTJLOOPM-MJBXVCDLSA-N 2 1 277.368 -0.660 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001124033848 813394436 /nfs/dbraw/zinc/39/44/36/813394436.db2.gz WVGJAAOCPHUTGM-HIFRSBDPSA-N 2 1 290.411 -0.412 20 30 CBEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC#CCOC ZINC001148638746 814954293 /nfs/dbraw/zinc/95/42/93/814954293.db2.gz PXDVXHPMTBJKFB-UHFFFAOYSA-N 2 1 255.362 -0.316 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321739743 803808343 /nfs/dbraw/zinc/80/83/43/803808343.db2.gz KJZOFAUPYPIACZ-CHWSQXEVSA-N 2 1 267.373 -0.318 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001322083219 803857290 /nfs/dbraw/zinc/85/72/90/803857290.db2.gz QNOOCWAOVHRRIY-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001322083219 803857297 /nfs/dbraw/zinc/85/72/97/803857297.db2.gz QNOOCWAOVHRRIY-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](C)O ZINC001322548486 803909200 /nfs/dbraw/zinc/90/92/00/803909200.db2.gz BZCGFVPNPIYZFP-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](C)O ZINC001322548486 803909204 /nfs/dbraw/zinc/90/92/04/803909204.db2.gz BZCGFVPNPIYZFP-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150218255 815020522 /nfs/dbraw/zinc/02/05/22/815020522.db2.gz FYXJAXMCNFWIKP-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150218255 815020527 /nfs/dbraw/zinc/02/05/27/815020527.db2.gz FYXJAXMCNFWIKP-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151058182 815054148 /nfs/dbraw/zinc/05/41/48/815054148.db2.gz XCWGPOYEFPYOCV-STQMWFEESA-N 2 1 294.399 -0.569 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072930 815056004 /nfs/dbraw/zinc/05/60/04/815056004.db2.gz AODNMPXJRFELOV-VXGBXAGGSA-N 2 1 282.388 -0.665 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073856551 805422220 /nfs/dbraw/zinc/42/22/20/805422220.db2.gz IVMCVDNHURVTRI-CQSZACIVSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073856551 805422227 /nfs/dbraw/zinc/42/22/27/805422227.db2.gz IVMCVDNHURVTRI-CQSZACIVSA-N 2 1 291.395 -0.078 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151736916 815088282 /nfs/dbraw/zinc/08/82/82/815088282.db2.gz ARVFAWZKKCXWOA-CYBMUJFWSA-N 2 1 285.388 -0.385 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151736916 815088288 /nfs/dbraw/zinc/08/82/88/815088288.db2.gz ARVFAWZKKCXWOA-CYBMUJFWSA-N 2 1 285.388 -0.385 20 30 CBEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#CCOC)C1 ZINC001151740800 815089216 /nfs/dbraw/zinc/08/92/16/815089216.db2.gz XYIVPKQQZDUZBG-ZDUSSCGKSA-N 2 1 283.372 -0.937 20 30 CBEDMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#CCOC)C1 ZINC001151740800 815089220 /nfs/dbraw/zinc/08/92/20/815089220.db2.gz XYIVPKQQZDUZBG-ZDUSSCGKSA-N 2 1 283.372 -0.937 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151740646 815091026 /nfs/dbraw/zinc/09/10/26/815091026.db2.gz WKPOGVPOQKQRHF-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151740646 815091032 /nfs/dbraw/zinc/09/10/32/815091032.db2.gz WKPOGVPOQKQRHF-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155821868 815315133 /nfs/dbraw/zinc/31/51/33/815315133.db2.gz DKSXVTFQTZJLTM-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090544544 810520390 /nfs/dbraw/zinc/52/03/90/810520390.db2.gz WABIFIIPGDZPFP-LSDHHAIUSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537799 810521404 /nfs/dbraw/zinc/52/14/04/810521404.db2.gz NZIZTEDBTOQFRR-LSDHHAIUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731898 810559549 /nfs/dbraw/zinc/55/95/49/810559549.db2.gz XURIINSQQXRONV-STQMWFEESA-N 2 1 277.368 -0.733 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731898 810559558 /nfs/dbraw/zinc/55/95/58/810559558.db2.gz XURIINSQQXRONV-STQMWFEESA-N 2 1 277.368 -0.733 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730082 810560116 /nfs/dbraw/zinc/56/01/16/810560116.db2.gz FWPKHKLFAHUHFM-OLZOCXBDSA-N 2 1 279.384 -0.180 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090814747 810568667 /nfs/dbraw/zinc/56/86/67/810568667.db2.gz LHMFDFQBDIQVND-KBPBESRZSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC)C[C@@H]2O)CC1 ZINC001090832024 810571459 /nfs/dbraw/zinc/57/14/59/810571459.db2.gz XVFVFVKOFQXKJO-GJZGRUSLSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969952 810979668 /nfs/dbraw/zinc/97/96/68/810979668.db2.gz PBBKCYIWZIVJOL-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969952 810979673 /nfs/dbraw/zinc/97/96/73/810979673.db2.gz PBBKCYIWZIVJOL-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971302 810980566 /nfs/dbraw/zinc/98/05/66/810980566.db2.gz FIBWXJIPUZNQAW-ZIAGYGMSSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987471 810986564 /nfs/dbraw/zinc/98/65/64/810986564.db2.gz ZZKVPARNJZPUFZ-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987471 810986570 /nfs/dbraw/zinc/98/65/70/810986570.db2.gz ZZKVPARNJZPUFZ-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037109 810997752 /nfs/dbraw/zinc/99/77/52/810997752.db2.gz UCTAOCHPZCHEGO-KGLIPLIRSA-N 2 1 297.399 -0.554 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037109 810997756 /nfs/dbraw/zinc/99/77/56/810997756.db2.gz UCTAOCHPZCHEGO-KGLIPLIRSA-N 2 1 297.399 -0.554 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041402 811000737 /nfs/dbraw/zinc/00/07/37/811000737.db2.gz IZDIDAQVTQXUIV-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048795 811004495 /nfs/dbraw/zinc/00/44/95/811004495.db2.gz RCHKPLAWJMHTGQ-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074722 811014872 /nfs/dbraw/zinc/01/48/72/811014872.db2.gz RHPDTLAVOSZIRF-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074838 811014961 /nfs/dbraw/zinc/01/49/61/811014961.db2.gz UDLHEPBYGHALSH-STQMWFEESA-N 2 1 285.388 -0.698 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083095 811016660 /nfs/dbraw/zinc/01/66/60/811016660.db2.gz NAPMKWUOGKXVHQ-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083095 811016669 /nfs/dbraw/zinc/01/66/69/811016669.db2.gz NAPMKWUOGKXVHQ-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083095 811016673 /nfs/dbraw/zinc/01/66/73/811016673.db2.gz NAPMKWUOGKXVHQ-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083095 811016681 /nfs/dbraw/zinc/01/66/81/811016681.db2.gz NAPMKWUOGKXVHQ-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080720 811016729 /nfs/dbraw/zinc/01/67/29/811016729.db2.gz LUOFUFIYEDHGCH-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080720 811016738 /nfs/dbraw/zinc/01/67/38/811016738.db2.gz LUOFUFIYEDHGCH-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083094 811016856 /nfs/dbraw/zinc/01/68/56/811016856.db2.gz NAPMKWUOGKXVHQ-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100083094 811016866 /nfs/dbraw/zinc/01/68/66/811016866.db2.gz NAPMKWUOGKXVHQ-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083094 811016870 /nfs/dbraw/zinc/01/68/70/811016870.db2.gz NAPMKWUOGKXVHQ-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083094 811016877 /nfs/dbraw/zinc/01/68/77/811016877.db2.gz NAPMKWUOGKXVHQ-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100081466 811017303 /nfs/dbraw/zinc/01/73/03/811017303.db2.gz SUBRYPNSSCWDEL-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100081466 811017311 /nfs/dbraw/zinc/01/73/11/811017311.db2.gz SUBRYPNSSCWDEL-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100081466 811017317 /nfs/dbraw/zinc/01/73/17/811017317.db2.gz SUBRYPNSSCWDEL-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080714 811018254 /nfs/dbraw/zinc/01/82/54/811018254.db2.gz LUOFUFIYEDHGCH-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080714 811018259 /nfs/dbraw/zinc/01/82/59/811018259.db2.gz LUOFUFIYEDHGCH-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100211940 811038341 /nfs/dbraw/zinc/03/83/41/811038341.db2.gz IATFLLDYBGCEKA-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100211940 811038349 /nfs/dbraw/zinc/03/83/49/811038349.db2.gz IATFLLDYBGCEKA-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001121902671 813087250 /nfs/dbraw/zinc/08/72/50/813087250.db2.gz BYHDSDRJKALJJK-CYBMUJFWSA-N 2 1 267.373 -0.318 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159882861 815603180 /nfs/dbraw/zinc/60/31/80/815603180.db2.gz JHPFVBFGHFAFNR-CQSZACIVSA-N 2 1 291.399 -0.068 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065788 813710052 /nfs/dbraw/zinc/71/00/52/813710052.db2.gz FIWSXXRYECHDDN-CYBMUJFWSA-N 2 1 294.399 -0.686 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784832 813748159 /nfs/dbraw/zinc/74/81/59/813748159.db2.gz BSQIXABQJRSGIS-QWHCGFSZSA-N 2 1 265.357 -0.421 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780534 813748368 /nfs/dbraw/zinc/74/83/68/813748368.db2.gz ZQAHHKLUYRJMCV-KGLIPLIRSA-N 2 1 295.383 -0.795 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779279 813748538 /nfs/dbraw/zinc/74/85/38/813748538.db2.gz KPIJFPKLONUYFB-VXGBXAGGSA-N 2 1 251.330 -0.811 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785073 813749489 /nfs/dbraw/zinc/74/94/89/813749489.db2.gz FKCXYYLBYNWCOY-OLZOCXBDSA-N 2 1 265.357 -0.421 20 30 CBEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128774897 813796589 /nfs/dbraw/zinc/79/65/89/813796589.db2.gz YGMAWTDTYHXANY-LBPRGKRZSA-N 2 1 295.387 -0.794 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535186 813850729 /nfs/dbraw/zinc/85/07/29/813850729.db2.gz KVTZXNJNYLQYJO-GFCCVEGCSA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)OC ZINC001129770109 813862401 /nfs/dbraw/zinc/86/24/01/813862401.db2.gz AWOXZIUKULXKSP-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)OC ZINC001129770109 813862408 /nfs/dbraw/zinc/86/24/08/813862408.db2.gz AWOXZIUKULXKSP-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC=C ZINC001129775468 813865060 /nfs/dbraw/zinc/86/50/60/813865060.db2.gz PFPICKLUZISAFQ-ZDUSSCGKSA-N 2 1 292.383 -0.908 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC=C ZINC001129775468 813865070 /nfs/dbraw/zinc/86/50/70/813865070.db2.gz PFPICKLUZISAFQ-ZDUSSCGKSA-N 2 1 292.383 -0.908 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182644 813913506 /nfs/dbraw/zinc/91/35/06/813913506.db2.gz QSNBQDNIYMCLKY-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182644 813913507 /nfs/dbraw/zinc/91/35/07/813913507.db2.gz QSNBQDNIYMCLKY-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130306271 813927086 /nfs/dbraw/zinc/92/70/86/813927086.db2.gz UOKZGFZSTDIDOE-OLZOCXBDSA-N 2 1 296.415 -0.133 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130306272 813928092 /nfs/dbraw/zinc/92/80/92/813928092.db2.gz UOKZGFZSTDIDOE-QWHCGFSZSA-N 2 1 296.415 -0.133 20 30 CBEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130419041 813939507 /nfs/dbraw/zinc/93/95/07/813939507.db2.gz JFHXNXIZZLQOFI-UHFFFAOYSA-N 2 1 283.376 -0.938 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387282 814026196 /nfs/dbraw/zinc/02/61/96/814026196.db2.gz JMRSNEIYFGYTDF-GFCCVEGCSA-N 2 1 291.355 -0.965 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848532 814193791 /nfs/dbraw/zinc/19/37/91/814193791.db2.gz KEEZESKLCNGMKH-ZDUSSCGKSA-N 2 1 267.373 -0.175 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133854064 814311934 /nfs/dbraw/zinc/31/19/34/814311934.db2.gz WLAQLVFJPHCMOJ-GFCCVEGCSA-N 2 1 282.388 -0.664 20 30 CBEDMP C=CCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341006 814464821 /nfs/dbraw/zinc/46/48/21/814464821.db2.gz NKBYAADNFDHJCW-UHFFFAOYSA-N 2 1 255.362 -0.009 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711036 814843374 /nfs/dbraw/zinc/84/33/74/814843374.db2.gz NLQPLKJVNKQTQH-LBPRGKRZSA-N 2 1 284.404 -0.275 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161041058 815703676 /nfs/dbraw/zinc/70/36/76/815703676.db2.gz DYEWMJZXADABFZ-CYBMUJFWSA-N 2 1 294.399 -0.684 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001316617761 816870950 /nfs/dbraw/zinc/87/09/50/816870950.db2.gz KJZNEBHKRZJWCV-ZNMIVQPWSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001316617761 816870953 /nfs/dbraw/zinc/87/09/53/816870953.db2.gz KJZNEBHKRZJWCV-ZNMIVQPWSA-N 2 1 293.411 -0.049 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986180 816916772 /nfs/dbraw/zinc/91/67/72/816916772.db2.gz LCODCSDMKNYERT-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986180 816916774 /nfs/dbraw/zinc/91/67/74/816916774.db2.gz LCODCSDMKNYERT-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317317467 816964555 /nfs/dbraw/zinc/96/45/55/816964555.db2.gz MNJRWOYPUHEAKR-OLZOCXBDSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317317467 816964559 /nfs/dbraw/zinc/96/45/59/816964559.db2.gz MNJRWOYPUHEAKR-OLZOCXBDSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317443332 816979087 /nfs/dbraw/zinc/97/90/87/816979087.db2.gz ORFSHDQPXPPXKM-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317443332 816979091 /nfs/dbraw/zinc/97/90/91/816979091.db2.gz ORFSHDQPXPPXKM-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317443332 816979094 /nfs/dbraw/zinc/97/90/94/816979094.db2.gz ORFSHDQPXPPXKM-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317443332 816979096 /nfs/dbraw/zinc/97/90/96/816979096.db2.gz ORFSHDQPXPPXKM-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)O ZINC001317596016 817026354 /nfs/dbraw/zinc/02/63/54/817026354.db2.gz DWLPLJCCBFOKMC-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)O ZINC001317596016 817026358 /nfs/dbraw/zinc/02/63/58/817026358.db2.gz DWLPLJCCBFOKMC-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320217525 817295859 /nfs/dbraw/zinc/29/58/59/817295859.db2.gz OTBQOPJHLYEDMO-STQMWFEESA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320217523 817296293 /nfs/dbraw/zinc/29/62/93/817296293.db2.gz OTBQOPJHLYEDMO-QWHCGFSZSA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001320227676 817298149 /nfs/dbraw/zinc/29/81/49/817298149.db2.gz SQTUBUDYXKQYQW-ZIAGYGMSSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001320227670 817298753 /nfs/dbraw/zinc/29/87/53/817298753.db2.gz SQTUBUDYXKQYQW-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320295410 817317681 /nfs/dbraw/zinc/31/76/81/817317681.db2.gz JBIBCCXHHZDQMK-NEPJUHHUSA-N 2 1 253.346 -0.972 20 30 CBEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515913 823765116 /nfs/dbraw/zinc/76/51/16/823765116.db2.gz CVQDWUNIBNMTLV-KGLIPLIRSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515913 823765123 /nfs/dbraw/zinc/76/51/23/823765123.db2.gz CVQDWUNIBNMTLV-KGLIPLIRSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515913 823765129 /nfs/dbraw/zinc/76/51/29/823765129.db2.gz CVQDWUNIBNMTLV-KGLIPLIRSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515913 823765137 /nfs/dbraw/zinc/76/51/37/823765137.db2.gz CVQDWUNIBNMTLV-KGLIPLIRSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417628 820161823 /nfs/dbraw/zinc/16/18/23/820161823.db2.gz WDXBYQZKTMCQHO-UHFFFAOYSA-N 2 1 267.373 -0.172 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417150 820162308 /nfs/dbraw/zinc/16/23/08/820162308.db2.gz NXPMGQNIKYJVAZ-UHFFFAOYSA-N 2 1 297.399 -0.546 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072493 820438269 /nfs/dbraw/zinc/43/82/69/820438269.db2.gz WKLBUGWFIVLEMB-GFCCVEGCSA-N 2 1 282.388 -0.664 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986012 820485099 /nfs/dbraw/zinc/48/50/99/820485099.db2.gz AZMXBNMMQHDMSW-ZDUSSCGKSA-N 2 1 296.415 -0.440 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001279731260 828336212 /nfs/dbraw/zinc/33/62/12/828336212.db2.gz NYVKRBRGBPBZJC-CQSZACIVSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279746583 828336281 /nfs/dbraw/zinc/33/62/81/828336281.db2.gz NCGNZYHOGLLDCJ-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001280648723 828368563 /nfs/dbraw/zinc/36/85/63/828368563.db2.gz OAPMWJHIQDCGJA-AWEZNQCLSA-N 2 1 295.383 -0.841 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001280681649 828371022 /nfs/dbraw/zinc/37/10/22/828371022.db2.gz KIVNDDDGGZPHIA-CYBMUJFWSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282368588 828442745 /nfs/dbraw/zinc/44/27/45/828442745.db2.gz XJRLKCZVRZZNRV-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282368588 828442747 /nfs/dbraw/zinc/44/27/47/828442747.db2.gz XJRLKCZVRZZNRV-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282368588 828442750 /nfs/dbraw/zinc/44/27/50/828442750.db2.gz XJRLKCZVRZZNRV-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282368588 828442755 /nfs/dbraw/zinc/44/27/55/828442755.db2.gz XJRLKCZVRZZNRV-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001282448679 828447736 /nfs/dbraw/zinc/44/77/36/828447736.db2.gz GETFHAIJXBQNMQ-GFCCVEGCSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001282448679 828447740 /nfs/dbraw/zinc/44/77/40/828447740.db2.gz GETFHAIJXBQNMQ-GFCCVEGCSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001283715274 828535493 /nfs/dbraw/zinc/53/54/93/828535493.db2.gz TWXHTYHQKIDJAF-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001283715274 828535496 /nfs/dbraw/zinc/53/54/96/828535496.db2.gz TWXHTYHQKIDJAF-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515915 823763890 /nfs/dbraw/zinc/76/38/90/823763890.db2.gz CVQDWUNIBNMTLV-ZIAGYGMSSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515915 823763894 /nfs/dbraw/zinc/76/38/94/823763894.db2.gz CVQDWUNIBNMTLV-ZIAGYGMSSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515915 823763899 /nfs/dbraw/zinc/76/38/99/823763899.db2.gz CVQDWUNIBNMTLV-ZIAGYGMSSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515915 823763903 /nfs/dbraw/zinc/76/39/03/823763903.db2.gz CVQDWUNIBNMTLV-ZIAGYGMSSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153871 823954280 /nfs/dbraw/zinc/95/42/80/823954280.db2.gz XKNWIDNMFRUPRW-ZDUSSCGKSA-N 2 1 294.399 -0.780 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153871 823954287 /nfs/dbraw/zinc/95/42/87/823954287.db2.gz XKNWIDNMFRUPRW-ZDUSSCGKSA-N 2 1 294.399 -0.780 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001284433436 828594924 /nfs/dbraw/zinc/59/49/24/828594924.db2.gz XIWOLXBBXZJUBL-CYBMUJFWSA-N 2 1 278.356 -0.376 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284467258 828600066 /nfs/dbraw/zinc/60/00/66/828600066.db2.gz HZFYHZJLVBQCDC-UONOGXRCSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284467258 828600074 /nfs/dbraw/zinc/60/00/74/828600074.db2.gz HZFYHZJLVBQCDC-UONOGXRCSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892355 824048895 /nfs/dbraw/zinc/04/88/95/824048895.db2.gz KXEIIDSLLOHQPM-MGPQQGTHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193892355 824048900 /nfs/dbraw/zinc/04/89/00/824048900.db2.gz KXEIIDSLLOHQPM-MGPQQGTHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892355 824048903 /nfs/dbraw/zinc/04/89/03/824048903.db2.gz KXEIIDSLLOHQPM-MGPQQGTHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892355 824048907 /nfs/dbraw/zinc/04/89/07/824048907.db2.gz KXEIIDSLLOHQPM-MGPQQGTHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057544 824176988 /nfs/dbraw/zinc/17/69/88/824176988.db2.gz DDFFHQBBBOGVTK-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955057 824210208 /nfs/dbraw/zinc/21/02/08/824210208.db2.gz LKXYOJRPPODMRK-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955057 824210215 /nfs/dbraw/zinc/21/02/15/824210215.db2.gz LKXYOJRPPODMRK-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001284751497 828622765 /nfs/dbraw/zinc/62/27/65/828622765.db2.gz QQCFBSWTYQGARZ-JXQTWKCFSA-N 2 1 279.384 -0.081 20 30 CBEDMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001284751497 828622769 /nfs/dbraw/zinc/62/27/69/828622769.db2.gz QQCFBSWTYQGARZ-JXQTWKCFSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734867 824437390 /nfs/dbraw/zinc/43/73/90/824437390.db2.gz PUFRFGSZCCIUFU-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734867 824437393 /nfs/dbraw/zinc/43/73/93/824437393.db2.gz PUFRFGSZCCIUFU-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213728189 824515376 /nfs/dbraw/zinc/51/53/76/824515376.db2.gz DQZBCGAELBDHPZ-ZIAGYGMSSA-N 2 1 299.415 -0.044 20 30 CBEDMP CC#CCN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816050 824897968 /nfs/dbraw/zinc/89/79/68/824897968.db2.gz WKZXYZRTCVJEQL-KGLIPLIRSA-N 2 1 279.384 -0.345 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816050 824897971 /nfs/dbraw/zinc/89/79/71/824897971.db2.gz WKZXYZRTCVJEQL-KGLIPLIRSA-N 2 1 279.384 -0.345 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816050 824897982 /nfs/dbraw/zinc/89/79/82/824897982.db2.gz WKZXYZRTCVJEQL-KGLIPLIRSA-N 2 1 279.384 -0.345 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816050 824897988 /nfs/dbraw/zinc/89/79/88/824897988.db2.gz WKZXYZRTCVJEQL-KGLIPLIRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297007 825009371 /nfs/dbraw/zinc/00/93/71/825009371.db2.gz GSXWVCIBLGIAEX-HZSPNIEDSA-N 2 1 281.400 -0.243 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297007 825009376 /nfs/dbraw/zinc/00/93/76/825009376.db2.gz GSXWVCIBLGIAEX-HZSPNIEDSA-N 2 1 281.400 -0.243 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553228 825062046 /nfs/dbraw/zinc/06/20/46/825062046.db2.gz CURSJJKOEUVTAG-KGLIPLIRSA-N 2 1 297.399 -0.554 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553228 825062053 /nfs/dbraw/zinc/06/20/53/825062053.db2.gz CURSJJKOEUVTAG-KGLIPLIRSA-N 2 1 297.399 -0.554 20 30 CBEDMP C=C[C@@H]1C[C@@]1(NC(=O)C[NH2+]C1CC[NH2+]CC1)C(=O)OCC ZINC001220571495 825066560 /nfs/dbraw/zinc/06/65/60/825066560.db2.gz SISVIIMGZATZOA-ABAIWWIYSA-N 2 1 295.383 -0.048 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220868758 825117116 /nfs/dbraw/zinc/11/71/16/825117116.db2.gz RXCLEDMTXLZGDQ-YDHLFZDLSA-N 2 1 278.400 -0.296 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091419 825142835 /nfs/dbraw/zinc/14/28/35/825142835.db2.gz NUZZTVDJRITQTK-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091419 825142838 /nfs/dbraw/zinc/14/28/38/825142838.db2.gz NUZZTVDJRITQTK-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091419 825142840 /nfs/dbraw/zinc/14/28/40/825142840.db2.gz NUZZTVDJRITQTK-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091419 825142846 /nfs/dbraw/zinc/14/28/46/825142846.db2.gz NUZZTVDJRITQTK-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089927 825144106 /nfs/dbraw/zinc/14/41/06/825144106.db2.gz UUQMCZBNIVZHAL-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089927 825144108 /nfs/dbraw/zinc/14/41/08/825144108.db2.gz UUQMCZBNIVZHAL-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089927 825144110 /nfs/dbraw/zinc/14/41/10/825144110.db2.gz UUQMCZBNIVZHAL-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CO ZINC001245998936 825619300 /nfs/dbraw/zinc/61/93/00/825619300.db2.gz HLLHZCCGVIIGIV-QWRGUYRKSA-N 2 1 260.334 -0.844 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246019778 825622960 /nfs/dbraw/zinc/62/29/60/825622960.db2.gz HUXFUCHHYMHMEX-MNOVXSKESA-N 2 1 262.300 -0.087 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246019778 825622964 /nfs/dbraw/zinc/62/29/64/825622964.db2.gz HUXFUCHHYMHMEX-MNOVXSKESA-N 2 1 262.300 -0.087 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246021522 825623865 /nfs/dbraw/zinc/62/38/65/825623865.db2.gz NQXNXTFPFADLBW-STQMWFEESA-N 2 1 256.346 -0.827 20 30 CBEDMP C#CCOC[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001251887906 825801685 /nfs/dbraw/zinc/80/16/85/825801685.db2.gz MBZYPQCKXXUIRY-CQSZACIVSA-N 2 1 269.389 -0.776 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252471433 825868695 /nfs/dbraw/zinc/86/86/95/825868695.db2.gz XNVRSYWQMBJMGV-AWEZNQCLSA-N 2 1 271.405 -0.271 20 30 CBEDMP C=CCOC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252473974 825871191 /nfs/dbraw/zinc/87/11/91/825871191.db2.gz UBVUZCLATTVRFW-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252473974 825871199 /nfs/dbraw/zinc/87/11/99/825871199.db2.gz UBVUZCLATTVRFW-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252488196 825872099 /nfs/dbraw/zinc/87/20/99/825872099.db2.gz HSAGCDRMBDWGJD-CYBMUJFWSA-N 2 1 285.388 -0.696 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001256585778 826026517 /nfs/dbraw/zinc/02/65/17/826026517.db2.gz ULCUEMQSWLOBCT-ZDUSSCGKSA-N 2 1 296.415 -0.304 20 30 CBEDMP C[NH+](C)CCC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001265249978 826861434 /nfs/dbraw/zinc/86/14/34/826861434.db2.gz VCVCHSWNTDEOCE-UHFFFAOYSA-N 2 1 281.404 -0.414 20 30 CBEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265266490 826864712 /nfs/dbraw/zinc/86/47/12/826864712.db2.gz OVVFAVBTQCILLH-OAHLLOKOSA-N 2 1 292.427 -0.305 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001266285631 826972824 /nfs/dbraw/zinc/97/28/24/826972824.db2.gz HBWJHISODDCNQW-HNNXBMFYSA-N 2 1 294.443 -0.060 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)COC ZINC001266284326 826973530 /nfs/dbraw/zinc/97/35/30/826973530.db2.gz BEFKHBJHAVRQJI-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H](O)COC ZINC001266284326 826973532 /nfs/dbraw/zinc/97/35/32/826973532.db2.gz BEFKHBJHAVRQJI-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](O)COC ZINC001266284326 826973540 /nfs/dbraw/zinc/97/35/40/826973540.db2.gz BEFKHBJHAVRQJI-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](O)COC ZINC001266284326 826973544 /nfs/dbraw/zinc/97/35/44/826973544.db2.gz BEFKHBJHAVRQJI-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266667125 827043681 /nfs/dbraw/zinc/04/36/81/827043681.db2.gz QWFWRTZUIQOLMB-CYBMUJFWSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266667125 827043685 /nfs/dbraw/zinc/04/36/85/827043685.db2.gz QWFWRTZUIQOLMB-CYBMUJFWSA-N 2 1 285.388 -0.432 20 30 CBEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267127787 827115762 /nfs/dbraw/zinc/11/57/62/827115762.db2.gz MWPABCFOUFNZHJ-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267127787 827115767 /nfs/dbraw/zinc/11/57/67/827115767.db2.gz MWPABCFOUFNZHJ-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001267189549 827123732 /nfs/dbraw/zinc/12/37/32/827123732.db2.gz XBSDJLYAZIRBSE-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001267189549 827123733 /nfs/dbraw/zinc/12/37/33/827123733.db2.gz XBSDJLYAZIRBSE-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267189549 827123739 /nfs/dbraw/zinc/12/37/39/827123739.db2.gz XBSDJLYAZIRBSE-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267189549 827123740 /nfs/dbraw/zinc/12/37/40/827123740.db2.gz XBSDJLYAZIRBSE-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001267195954 827125483 /nfs/dbraw/zinc/12/54/83/827125483.db2.gz UUCWMMROQHXFGI-UHFFFAOYSA-N 2 1 277.372 -0.261 20 30 CBEDMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001267256428 827138549 /nfs/dbraw/zinc/13/85/49/827138549.db2.gz WCOAGIZWJFQFKY-LBPRGKRZSA-N 2 1 295.387 -0.984 20 30 CBEDMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001267256428 827138551 /nfs/dbraw/zinc/13/85/51/827138551.db2.gz WCOAGIZWJFQFKY-LBPRGKRZSA-N 2 1 295.387 -0.984 20 30 CBEDMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001267256428 827138553 /nfs/dbraw/zinc/13/85/53/827138553.db2.gz WCOAGIZWJFQFKY-LBPRGKRZSA-N 2 1 295.387 -0.984 20 30 CBEDMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NCC#N ZINC001267256428 827138555 /nfs/dbraw/zinc/13/85/55/827138555.db2.gz WCOAGIZWJFQFKY-LBPRGKRZSA-N 2 1 295.387 -0.984 20 30 CBEDMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267985918 827237411 /nfs/dbraw/zinc/23/74/11/827237411.db2.gz YAOKUYZQPCNOIC-NWDGAFQWSA-N 2 1 255.362 -0.155 20 30 CBEDMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267985918 827237414 /nfs/dbraw/zinc/23/74/14/827237414.db2.gz YAOKUYZQPCNOIC-NWDGAFQWSA-N 2 1 255.362 -0.155 20 30 CBEDMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267985914 827237702 /nfs/dbraw/zinc/23/77/02/827237702.db2.gz YAOKUYZQPCNOIC-NEPJUHHUSA-N 2 1 255.362 -0.155 20 30 CBEDMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267985914 827237709 /nfs/dbraw/zinc/23/77/09/827237709.db2.gz YAOKUYZQPCNOIC-NEPJUHHUSA-N 2 1 255.362 -0.155 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCO)C(C)C ZINC001268212792 827261605 /nfs/dbraw/zinc/26/16/05/827261605.db2.gz NDEDGJBLFISZDJ-KGLIPLIRSA-N 2 1 281.400 -0.193 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCO)C(C)C ZINC001268212792 827261609 /nfs/dbraw/zinc/26/16/09/827261609.db2.gz NDEDGJBLFISZDJ-KGLIPLIRSA-N 2 1 281.400 -0.193 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268314812 827293923 /nfs/dbraw/zinc/29/39/23/827293923.db2.gz LSHVPXWUUCXUFH-RYUDHWBXSA-N 2 1 253.346 -0.829 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268329426 827305120 /nfs/dbraw/zinc/30/51/20/827305120.db2.gz UEESXSZKAYLPGM-VXGBXAGGSA-N 2 1 255.362 -0.419 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268335288 827307219 /nfs/dbraw/zinc/30/72/19/827307219.db2.gz RIRNGUQIURUPQN-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268335287 827308535 /nfs/dbraw/zinc/30/85/35/827308535.db2.gz RIRNGUQIURUPQN-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268422753 827325185 /nfs/dbraw/zinc/32/51/85/827325185.db2.gz HNFPMFAUCASSLO-STQMWFEESA-N 2 1 294.399 -0.828 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268641490 827388550 /nfs/dbraw/zinc/38/85/50/827388550.db2.gz INKJMVUWTKHREF-CHWSQXEVSA-N 2 1 283.372 -0.939 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268641490 827388561 /nfs/dbraw/zinc/38/85/61/827388561.db2.gz INKJMVUWTKHREF-CHWSQXEVSA-N 2 1 283.372 -0.939 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268699110 827406492 /nfs/dbraw/zinc/40/64/92/827406492.db2.gz GMILXRDWPYCYFC-STQMWFEESA-N 2 1 296.415 -0.133 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268717313 827411193 /nfs/dbraw/zinc/41/11/93/827411193.db2.gz VPWDJNJAIKHTJY-NSHDSACASA-N 2 1 283.376 -0.939 20 30 CBEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001269393163 827502787 /nfs/dbraw/zinc/50/27/87/827502787.db2.gz AWGUZHUAEFHYQP-LBPRGKRZSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001269393163 827502791 /nfs/dbraw/zinc/50/27/91/827502791.db2.gz AWGUZHUAEFHYQP-LBPRGKRZSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001269393162 827503318 /nfs/dbraw/zinc/50/33/18/827503318.db2.gz AWGUZHUAEFHYQP-GFCCVEGCSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001269393162 827503319 /nfs/dbraw/zinc/50/33/19/827503319.db2.gz AWGUZHUAEFHYQP-GFCCVEGCSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001270371506 827562171 /nfs/dbraw/zinc/56/21/71/827562171.db2.gz HXXVRDDDUSIFCB-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271208310 827675852 /nfs/dbraw/zinc/67/58/52/827675852.db2.gz IRLAFFHDFRZQDY-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271208310 827675856 /nfs/dbraw/zinc/67/58/56/827675856.db2.gz IRLAFFHDFRZQDY-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271208310 827675858 /nfs/dbraw/zinc/67/58/58/827675858.db2.gz IRLAFFHDFRZQDY-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271192556 827675889 /nfs/dbraw/zinc/67/58/89/827675889.db2.gz NATWDMCIOWBAOP-JSGCOSHPSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271218879 827677348 /nfs/dbraw/zinc/67/73/48/827677348.db2.gz DNXHCDWWVBVTEM-JSGCOSHPSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271218879 827677349 /nfs/dbraw/zinc/67/73/49/827677349.db2.gz DNXHCDWWVBVTEM-JSGCOSHPSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271218879 827677352 /nfs/dbraw/zinc/67/73/52/827677352.db2.gz DNXHCDWWVBVTEM-JSGCOSHPSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001272434222 827795851 /nfs/dbraw/zinc/79/58/51/827795851.db2.gz CMJZLRIRVACBIJ-GFCCVEGCSA-N 2 1 253.346 -0.829 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001272443924 827799102 /nfs/dbraw/zinc/79/91/02/827799102.db2.gz QSXHZLTUFKVSME-ZIAGYGMSSA-N 2 1 281.400 -0.049 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272455741 827800569 /nfs/dbraw/zinc/80/05/69/827800569.db2.gz VNYMZGAYYYGFRK-NWDGAFQWSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001272465191 827803339 /nfs/dbraw/zinc/80/33/39/827803339.db2.gz CLUILUHOMXDHPB-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001272465191 827803350 /nfs/dbraw/zinc/80/33/50/827803350.db2.gz CLUILUHOMXDHPB-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272503168 827807515 /nfs/dbraw/zinc/80/75/15/827807515.db2.gz BADOFBBDESAOMJ-MELADBBJSA-N 2 1 281.400 -0.193 20 30 CBEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001273496189 827902960 /nfs/dbraw/zinc/90/29/60/827902960.db2.gz WTCIPYZAZCSEQZ-CYBMUJFWSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273496189 827902970 /nfs/dbraw/zinc/90/29/70/827902970.db2.gz WTCIPYZAZCSEQZ-CYBMUJFWSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273496189 827902975 /nfs/dbraw/zinc/90/29/75/827902975.db2.gz WTCIPYZAZCSEQZ-CYBMUJFWSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273496189 827902979 /nfs/dbraw/zinc/90/29/79/827902979.db2.gz WTCIPYZAZCSEQZ-CYBMUJFWSA-N 2 1 267.373 -0.270 20 30 CBEDMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273928406 827942193 /nfs/dbraw/zinc/94/21/93/827942193.db2.gz NFPSHTDARXCCPW-GFUIURDCSA-N 2 1 265.357 -0.398 20 30 CBEDMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273928406 827942200 /nfs/dbraw/zinc/94/22/00/827942200.db2.gz NFPSHTDARXCCPW-GFUIURDCSA-N 2 1 265.357 -0.398 20 30 CBEDMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273928408 827942593 /nfs/dbraw/zinc/94/25/93/827942593.db2.gz NFPSHTDARXCCPW-URWSZGRFSA-N 2 1 265.357 -0.398 20 30 CBEDMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273928408 827942596 /nfs/dbraw/zinc/94/25/96/827942596.db2.gz NFPSHTDARXCCPW-URWSZGRFSA-N 2 1 265.357 -0.398 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274810146 828031482 /nfs/dbraw/zinc/03/14/82/828031482.db2.gz GMILXRDWPYCYFC-OLZOCXBDSA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001275237302 828071532 /nfs/dbraw/zinc/07/15/32/828071532.db2.gz GPVDWIIAZALWSC-NSHDSACASA-N 2 1 291.355 -0.965 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC ZINC001277846913 828213330 /nfs/dbraw/zinc/21/33/30/828213330.db2.gz VCXJKADNOHGRGS-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC ZINC001277846913 828213335 /nfs/dbraw/zinc/21/33/35/828213335.db2.gz VCXJKADNOHGRGS-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278017887 828231189 /nfs/dbraw/zinc/23/11/89/828231189.db2.gz QVRMEJDAPVOVQF-CHWSQXEVSA-N 2 1 294.399 -0.876 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001278196252 828258006 /nfs/dbraw/zinc/25/80/06/828258006.db2.gz XHJVHNUPZBTQMR-LBPRGKRZSA-N 2 1 264.329 -0.718 20 30 CBEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001279518669 828327382 /nfs/dbraw/zinc/32/73/82/828327382.db2.gz MGMBDGPOARAQAE-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001279518669 828327389 /nfs/dbraw/zinc/32/73/89/828327389.db2.gz MGMBDGPOARAQAE-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001279518669 828327399 /nfs/dbraw/zinc/32/73/99/828327399.db2.gz MGMBDGPOARAQAE-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001279518669 828327408 /nfs/dbraw/zinc/32/74/08/828327408.db2.gz MGMBDGPOARAQAE-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC#CC[NH+](C)C ZINC001347143339 890416411 /nfs/dbraw/zinc/41/64/11/890416411.db2.gz PDITWUYBEFBEPR-QWHCGFSZSA-N 2 1 264.373 -0.944 20 30 CBEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC001326000855 884866854 /nfs/dbraw/zinc/86/68/54/884866854.db2.gz BUOHRKPYRFFLFX-LBPRGKRZSA-N 2 1 268.361 -0.154 20 30 CBEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC001326000855 884866863 /nfs/dbraw/zinc/86/68/63/884866863.db2.gz BUOHRKPYRFFLFX-LBPRGKRZSA-N 2 1 268.361 -0.154 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001326091048 884903494 /nfs/dbraw/zinc/90/34/94/884903494.db2.gz IORMLCMJZIQKHN-ZDUSSCGKSA-N 2 1 267.373 -0.628 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H](C)O ZINC001328353963 885650842 /nfs/dbraw/zinc/65/08/42/885650842.db2.gz KGJQHXSUWRHORB-IHRRRGAJSA-N 2 1 281.400 -0.051 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H](C)O ZINC001328353963 885650846 /nfs/dbraw/zinc/65/08/46/885650846.db2.gz KGJQHXSUWRHORB-IHRRRGAJSA-N 2 1 281.400 -0.051 20 30 CBEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001329592467 886133210 /nfs/dbraw/zinc/13/32/10/886133210.db2.gz PSZQACPDWOZXHV-NEPJUHHUSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001329592467 886133217 /nfs/dbraw/zinc/13/32/17/886133217.db2.gz PSZQACPDWOZXHV-NEPJUHHUSA-N 2 1 297.403 -0.597 20 30 CBEDMP C#CCN[C@H](CO)CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001331741471 886949652 /nfs/dbraw/zinc/94/96/52/886949652.db2.gz UUSIWIXZIMMUJI-NSHDSACASA-N 2 1 272.308 -0.124 20 30 CBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001331788582 886981089 /nfs/dbraw/zinc/98/10/89/886981089.db2.gz WOVXDAUWKRJGTP-KGLIPLIRSA-N 2 1 297.399 -0.955 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)CC[N@H+](C)CC ZINC001331824443 887001066 /nfs/dbraw/zinc/00/10/66/887001066.db2.gz INUZGCFOJAGUNN-LBPRGKRZSA-N 2 1 255.362 -0.582 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332491246 887318749 /nfs/dbraw/zinc/31/87/49/887318749.db2.gz SCSNWKRGNKPFIM-VXGBXAGGSA-N 2 1 253.346 -0.877 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001332520289 887335123 /nfs/dbraw/zinc/33/51/23/887335123.db2.gz AAADTMYFYDNPTJ-AWEZNQCLSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001332522064 887336476 /nfs/dbraw/zinc/33/64/76/887336476.db2.gz MLUMXSLZPIBWLE-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)CCC ZINC001332679135 887402545 /nfs/dbraw/zinc/40/25/45/887402545.db2.gz VHNSUJUZBMUNNO-ZDUSSCGKSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)CCC ZINC001332679135 887402552 /nfs/dbraw/zinc/40/25/52/887402552.db2.gz VHNSUJUZBMUNNO-ZDUSSCGKSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)CCC ZINC001332679135 887402559 /nfs/dbraw/zinc/40/25/59/887402559.db2.gz VHNSUJUZBMUNNO-ZDUSSCGKSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CC[NH2+]CC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001341643913 889640836 /nfs/dbraw/zinc/64/08/36/889640836.db2.gz QDMMTWWYDMZQSO-UHFFFAOYSA-N 2 1 261.329 -0.031 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001352922577 891322437 /nfs/dbraw/zinc/32/24/37/891322437.db2.gz KUGDYEURIHDMFH-UHFFFAOYSA-N 2 1 266.389 -0.438 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)Cn1ccnc1 ZINC001410830157 904192803 /nfs/dbraw/zinc/19/28/03/904192803.db2.gz ZABPJGCIJIKLOX-JTQLQIEISA-N 2 1 272.736 -0.298 20 30 CBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422269165 907769660 /nfs/dbraw/zinc/76/96/60/907769660.db2.gz VTGBYOGHRHCKFB-MNOVXSKESA-N 2 1 275.780 -0.100 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001507064446 921666863 /nfs/dbraw/zinc/66/68/63/921666863.db2.gz VNFCCVGPPQVKFA-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001471631223 915609895 /nfs/dbraw/zinc/60/98/95/915609895.db2.gz VKQMQNQHPYDQCB-STQMWFEESA-N 2 1 264.373 -0.103 20 30 CBEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480107782 916286544 /nfs/dbraw/zinc/28/65/44/916286544.db2.gz KZSUPSUVJNKLKJ-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480107782 916286557 /nfs/dbraw/zinc/28/65/57/916286557.db2.gz KZSUPSUVJNKLKJ-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001480163310 916310998 /nfs/dbraw/zinc/31/09/98/916310998.db2.gz WOIVHUWNSPGPDT-HDJSIYSDSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C[C@H](O)COC ZINC001480478888 916437936 /nfs/dbraw/zinc/43/79/36/916437936.db2.gz APGMVJMSYOLKKA-RDBSUJKOSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C[C@H](O)COC ZINC001480478888 916437947 /nfs/dbraw/zinc/43/79/47/916437947.db2.gz APGMVJMSYOLKKA-RDBSUJKOSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001480597143 916487488 /nfs/dbraw/zinc/48/74/88/916487488.db2.gz ZOHZHIRCDNIBEG-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001480597143 916487501 /nfs/dbraw/zinc/48/75/01/916487501.db2.gz ZOHZHIRCDNIBEG-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001482742527 917248741 /nfs/dbraw/zinc/24/87/41/917248741.db2.gz RWRFWUOCSLHLAC-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482967711 917349512 /nfs/dbraw/zinc/34/95/12/917349512.db2.gz XEVQWYHRPKLQJZ-ZDUSSCGKSA-N 2 1 296.415 -0.322 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484217294 917770497 /nfs/dbraw/zinc/77/04/97/917770497.db2.gz RGVYOEBNTUSJCN-HOCLYGCPSA-N 2 1 291.395 -0.486 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484246253 917783605 /nfs/dbraw/zinc/78/36/05/917783605.db2.gz HOJVZVSFLRYOQC-DZGCQCFKSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484238213 917788470 /nfs/dbraw/zinc/78/84/70/917788470.db2.gz YLMINOKZPUCREO-OFQRWUPVSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484238213 917788484 /nfs/dbraw/zinc/78/84/84/917788484.db2.gz YLMINOKZPUCREO-OFQRWUPVSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484238213 917788499 /nfs/dbraw/zinc/78/84/99/917788499.db2.gz YLMINOKZPUCREO-OFQRWUPVSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484252891 917790022 /nfs/dbraw/zinc/79/00/22/917790022.db2.gz XYIUTLLUJLOZQC-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484252891 917790036 /nfs/dbraw/zinc/79/00/36/917790036.db2.gz XYIUTLLUJLOZQC-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484252891 917790043 /nfs/dbraw/zinc/79/00/43/917790043.db2.gz XYIUTLLUJLOZQC-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484252893 917793695 /nfs/dbraw/zinc/79/36/95/917793695.db2.gz XYIUTLLUJLOZQC-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484252893 917793703 /nfs/dbraw/zinc/79/37/03/917793703.db2.gz XYIUTLLUJLOZQC-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484252893 917793712 /nfs/dbraw/zinc/79/37/12/917793712.db2.gz XYIUTLLUJLOZQC-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485981785 918273138 /nfs/dbraw/zinc/27/31/38/918273138.db2.gz FLABSKVDNJARJE-QWHCGFSZSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485981785 918273147 /nfs/dbraw/zinc/27/31/47/918273147.db2.gz FLABSKVDNJARJE-QWHCGFSZSA-N 2 1 285.388 -0.650 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001486004044 918297932 /nfs/dbraw/zinc/29/79/32/918297932.db2.gz DXXMULGPXIUTSP-STQMWFEESA-N 2 1 285.363 -0.490 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001486004044 918297943 /nfs/dbraw/zinc/29/79/43/918297943.db2.gz DXXMULGPXIUTSP-STQMWFEESA-N 2 1 285.363 -0.490 20 30 CBEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001486034818 918329459 /nfs/dbraw/zinc/32/94/59/918329459.db2.gz VHMGPHZXURZDTK-CHWSQXEVSA-N 2 1 269.389 -0.029 20 30 CBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001486066605 918355628 /nfs/dbraw/zinc/35/56/28/918355628.db2.gz QZNCCDMHXSOZIU-CYBMUJFWSA-N 2 1 285.388 -0.957 20 30 CBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001486318427 918423199 /nfs/dbraw/zinc/42/31/99/918423199.db2.gz SMYSKRKGNOZCSW-AWEZNQCLSA-N 2 1 299.415 -0.615 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559325 918935645 /nfs/dbraw/zinc/93/56/45/918935645.db2.gz XOBYZGIAIJTASN-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559325 918935657 /nfs/dbraw/zinc/93/56/57/918935657.db2.gz XOBYZGIAIJTASN-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793835 919619695 /nfs/dbraw/zinc/61/96/95/919619695.db2.gz NHFFZZLYSXJRQY-STQMWFEESA-N 2 1 296.415 -0.323 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001496249205 920053005 /nfs/dbraw/zinc/05/30/05/920053005.db2.gz NSWIECRHNFZYGC-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496978940 920191064 /nfs/dbraw/zinc/19/10/64/920191064.db2.gz LZHQXVGRBVJMEV-FRRDWIJNSA-N 2 1 267.373 -0.583 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496979003 920191471 /nfs/dbraw/zinc/19/14/71/920191471.db2.gz NESOXJRGIVBESW-MELADBBJSA-N 2 1 281.400 -0.193 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497113678 920252354 /nfs/dbraw/zinc/25/23/54/920252354.db2.gz LLEGNLZUWJIAMG-NWDGAFQWSA-N 2 1 253.346 -0.972 20 30 CBEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498654720 920623351 /nfs/dbraw/zinc/62/33/51/920623351.db2.gz IHBNNBQBVLIWHK-GFCCVEGCSA-N 2 1 295.387 -0.984 20 30 CBEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500724623 920869128 /nfs/dbraw/zinc/86/91/28/920869128.db2.gz GNORSRUHXMBRFK-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500724623 920869141 /nfs/dbraw/zinc/86/91/41/920869141.db2.gz GNORSRUHXMBRFK-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500724623 920869151 /nfs/dbraw/zinc/86/91/51/920869151.db2.gz GNORSRUHXMBRFK-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500724876 920874499 /nfs/dbraw/zinc/87/44/99/920874499.db2.gz JAQUWHGUTQFNPW-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500724876 920874516 /nfs/dbraw/zinc/87/45/16/920874516.db2.gz JAQUWHGUTQFNPW-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500724876 920874528 /nfs/dbraw/zinc/87/45/28/920874528.db2.gz JAQUWHGUTQFNPW-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001507598063 921876796 /nfs/dbraw/zinc/87/67/96/921876796.db2.gz DBQNQIPPAXINEZ-UONOGXRCSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001507598063 921876801 /nfs/dbraw/zinc/87/68/01/921876801.db2.gz DBQNQIPPAXINEZ-UONOGXRCSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001507598063 921876812 /nfs/dbraw/zinc/87/68/12/921876812.db2.gz DBQNQIPPAXINEZ-UONOGXRCSA-N 2 1 281.400 -0.145 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001545547460 923317295 /nfs/dbraw/zinc/31/72/95/923317295.db2.gz LDCGSFXIZNSYIU-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001545547460 923317281 /nfs/dbraw/zinc/31/72/81/923317281.db2.gz LDCGSFXIZNSYIU-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=C(C)CNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912779 352004552 /nfs/dbraw/zinc/00/45/52/352004552.db2.gz XEGXTKGONPTCGD-UHFFFAOYSA-N 2 1 267.377 -0.369 20 30 CBEDMP OC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](CO)C2)C1 ZINC000342144854 353219208 /nfs/dbraw/zinc/21/92/08/353219208.db2.gz WJWUUODSHZULFN-KBPBESRZSA-N 2 1 252.358 -0.382 20 30 CBEDMP C[C@@]1(O)CC[NH+](CC#CC[N@@H+]2CC[C@@](C)(O)C2)C1 ZINC000341872380 353217311 /nfs/dbraw/zinc/21/73/11/353217311.db2.gz PJJKRNHYPTWWIT-ZIAGYGMSSA-N 2 1 252.358 -0.097 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936970 354251481 /nfs/dbraw/zinc/25/14/81/354251481.db2.gz YHDVPZSXBLVPFV-UWVGGRQHSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936970 354251484 /nfs/dbraw/zinc/25/14/84/354251484.db2.gz YHDVPZSXBLVPFV-UWVGGRQHSA-N 2 1 254.334 -0.333 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](C)CCn2cccn2)CC1 ZINC000490781245 354446939 /nfs/dbraw/zinc/44/69/39/354446939.db2.gz ZAJVUMSTARZZNN-UHFFFAOYSA-N 2 1 289.383 -0.408 20 30 CBEDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000573676183 354918998 /nfs/dbraw/zinc/91/89/98/354918998.db2.gz GKWCSVPHXKJIKV-ZDUSSCGKSA-N 2 1 265.361 -0.013 20 30 CBEDMP C=C[C@@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507924 356139549 /nfs/dbraw/zinc/13/95/49/356139549.db2.gz OWWWQIZKOMGWDQ-NWDGAFQWSA-N 2 1 257.378 -0.079 20 30 CBEDMP C=C[C@@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507924 356139552 /nfs/dbraw/zinc/13/95/52/356139552.db2.gz OWWWQIZKOMGWDQ-NWDGAFQWSA-N 2 1 257.378 -0.079 20 30 CBEDMP C=C[C@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507925 356139999 /nfs/dbraw/zinc/13/99/99/356139999.db2.gz OWWWQIZKOMGWDQ-RYUDHWBXSA-N 2 1 257.378 -0.079 20 30 CBEDMP C=C[C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507925 356140003 /nfs/dbraw/zinc/14/00/03/356140003.db2.gz OWWWQIZKOMGWDQ-RYUDHWBXSA-N 2 1 257.378 -0.079 20 30 CBEDMP C#CCNC(=[NH+]C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261674960 220243802 /nfs/dbraw/zinc/24/38/02/220243802.db2.gz HAUNYZDWAWOSPD-CYBMUJFWSA-N 2 1 264.373 -0.151 20 30 CBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NC[C@]1(C)CCCO1 ZINC000261739460 220244254 /nfs/dbraw/zinc/24/42/54/220244254.db2.gz KMFQHKJXPKEXBU-HIFRSBDPSA-N 2 1 297.447 -0.034 20 30 CBEDMP C[NH+]=C(NCCn1cncn1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261830822 220246670 /nfs/dbraw/zinc/24/66/70/220246670.db2.gz VLGREZCDIFECSV-DGCLKSJQSA-N 2 1 291.403 -0.074 20 30 CBEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000262312148 220250089 /nfs/dbraw/zinc/25/00/89/220250089.db2.gz PYSIAKPMXIZEJG-JQWIXIFHSA-N 2 1 256.350 -0.864 20 30 CBEDMP CNC(=O)CNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000262727193 220256003 /nfs/dbraw/zinc/25/60/03/220256003.db2.gz AOFFZASFICHEJA-SECBINFHSA-N 2 1 253.350 -0.866 20 30 CBEDMP CNC(=O)CNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000262727193 220256007 /nfs/dbraw/zinc/25/60/07/220256007.db2.gz AOFFZASFICHEJA-SECBINFHSA-N 2 1 253.350 -0.866 20 30 CBEDMP C[NH+]=C(NCc1nncn1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262767433 220258388 /nfs/dbraw/zinc/25/83/88/220258388.db2.gz JLYJHGNCEIZDHQ-SNVBAGLBSA-N 2 1 277.376 -0.283 20 30 CBEDMP C[NH+]=C(NCc1nncn1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262767433 220258389 /nfs/dbraw/zinc/25/83/89/220258389.db2.gz JLYJHGNCEIZDHQ-SNVBAGLBSA-N 2 1 277.376 -0.283 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cncn1 ZINC000264149552 220262705 /nfs/dbraw/zinc/26/27/05/220262705.db2.gz YVPJXCUFYSNGOP-LLVKDONJSA-N 2 1 265.365 -0.333 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303985265 220325431 /nfs/dbraw/zinc/32/54/31/220325431.db2.gz SUPXAANYJWBUDC-CHWSQXEVSA-N 2 1 283.420 -0.294 20 30 CBEDMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]2C1 ZINC000332659322 220383725 /nfs/dbraw/zinc/38/37/25/220383725.db2.gz AXNGAMURSGCMQU-AGIUHOORSA-N 2 1 280.372 -0.061 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262758930 279303557 /nfs/dbraw/zinc/30/35/57/279303557.db2.gz FFZOBYVJSJSYBX-ZIAGYGMSSA-N 3 1 294.447 -0.625 20 30 CBEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN2CCN1CC2 ZINC000262758930 279303559 /nfs/dbraw/zinc/30/35/59/279303559.db2.gz FFZOBYVJSJSYBX-ZIAGYGMSSA-N 2 1 294.447 -0.625 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN2CCN1CC2 ZINC000262758930 279303560 /nfs/dbraw/zinc/30/35/60/279303560.db2.gz FFZOBYVJSJSYBX-ZIAGYGMSSA-N 2 1 294.447 -0.625 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000490984765 332135916 /nfs/dbraw/zinc/13/59/16/332135916.db2.gz HVHUOWXGEDDNLA-HNNXBMFYSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000491699116 332294036 /nfs/dbraw/zinc/29/40/36/332294036.db2.gz CCKOUAIFHQKIKX-AWEZNQCLSA-N 2 1 282.432 -0.060 20 30 CBEDMP C#CCN1CCN(C(=O)CN2CCN(C)C(C)(C)C2)CC1 ZINC000491813556 332365234 /nfs/dbraw/zinc/36/52/34/332365234.db2.gz HYGBUPXZFYUTMN-UHFFFAOYSA-N 2 1 292.427 -0.210 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000778403973 582358743 /nfs/dbraw/zinc/35/87/43/582358743.db2.gz PHEHKONYZAXHJQ-HNNXBMFYSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000778403973 582358744 /nfs/dbraw/zinc/35/87/44/582358744.db2.gz PHEHKONYZAXHJQ-HNNXBMFYSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCO)CC1 ZINC000778403973 582358745 /nfs/dbraw/zinc/35/87/45/582358745.db2.gz PHEHKONYZAXHJQ-HNNXBMFYSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCO)CC1 ZINC000778403973 582358746 /nfs/dbraw/zinc/35/87/46/582358746.db2.gz PHEHKONYZAXHJQ-HNNXBMFYSA-N 2 1 293.411 -0.001 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000825294135 582731500 /nfs/dbraw/zinc/73/15/00/582731500.db2.gz ZMQRWVFYYGQNSY-UHFFFAOYSA-N 2 1 282.388 -0.663 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000836369024 583141552 /nfs/dbraw/zinc/14/15/52/583141552.db2.gz UGTAJALKJUQBJR-ZIAGYGMSSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000836369024 583141553 /nfs/dbraw/zinc/14/15/53/583141553.db2.gz UGTAJALKJUQBJR-ZIAGYGMSSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000836369024 583141556 /nfs/dbraw/zinc/14/15/56/583141556.db2.gz UGTAJALKJUQBJR-ZIAGYGMSSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000836369024 583141559 /nfs/dbraw/zinc/14/15/59/583141559.db2.gz UGTAJALKJUQBJR-ZIAGYGMSSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000836369021 583141691 /nfs/dbraw/zinc/14/16/91/583141691.db2.gz UGTAJALKJUQBJR-KBPBESRZSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000836369021 583141694 /nfs/dbraw/zinc/14/16/94/583141694.db2.gz UGTAJALKJUQBJR-KBPBESRZSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000836369021 583141696 /nfs/dbraw/zinc/14/16/96/583141696.db2.gz UGTAJALKJUQBJR-KBPBESRZSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000836369021 583141698 /nfs/dbraw/zinc/14/16/98/583141698.db2.gz UGTAJALKJUQBJR-KBPBESRZSA-N 2 1 296.415 -0.040 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000837188988 583144835 /nfs/dbraw/zinc/14/48/35/583144835.db2.gz JGWPDNUZZYWWPH-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000837188988 583144838 /nfs/dbraw/zinc/14/48/38/583144838.db2.gz JGWPDNUZZYWWPH-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP COC(=O)CCC[NH+]1CCC(N=NC2=[NH+]CCN2)CC1 ZINC000841659002 583173245 /nfs/dbraw/zinc/17/32/45/583173245.db2.gz KJWIQGCHAVMVLI-UHFFFAOYSA-N 2 1 281.360 -0.060 20 30 CBEDMP C#CCC[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000846837988 583388693 /nfs/dbraw/zinc/38/86/93/583388693.db2.gz UBYRBZDZCIDHRJ-AWEZNQCLSA-N 2 1 253.390 -0.060 20 30 CBEDMP C#CCC[NH+]1CCN(C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000846836680 583388752 /nfs/dbraw/zinc/38/87/52/583388752.db2.gz HPYPCOWAYDCKOC-OAHLLOKOSA-N 2 1 283.416 -0.434 20 30 CBEDMP C=CCNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999330 583465462 /nfs/dbraw/zinc/46/54/62/583465462.db2.gz WDZJQGDBYKVOFS-LLVKDONJSA-N 2 1 267.377 -0.126 20 30 CBEDMP CN1CC[NH+]=C1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999887 583465940 /nfs/dbraw/zinc/46/59/40/583465940.db2.gz ABLYVTUEVPIWLL-LLVKDONJSA-N 2 1 267.377 -0.535 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC1([NH+](C)C)CC1 ZINC000849042993 583471601 /nfs/dbraw/zinc/47/16/01/583471601.db2.gz BPBJVGPLKFXSBN-UHFFFAOYSA-N 2 1 283.420 -0.422 20 30 CBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000876783387 584144666 /nfs/dbraw/zinc/14/46/66/584144666.db2.gz AKHBYTIHACLSID-QWRGUYRKSA-N 2 1 274.796 -0.182 20 30 CBEDMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801804 584146048 /nfs/dbraw/zinc/14/60/48/584146048.db2.gz IZBMFUDIEYEKKT-CHWSQXEVSA-N 2 1 298.387 -0.801 20 30 CBEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC[N@H+]1C ZINC000876802123 584146381 /nfs/dbraw/zinc/14/63/81/584146381.db2.gz LTVLUQKQPSGURS-FIQHERPVSA-N 2 1 250.346 -0.056 20 30 CBEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC[N@H+]1C ZINC000876802125 584146415 /nfs/dbraw/zinc/14/64/15/584146415.db2.gz LTVLUQKQPSGURS-NOOOWODRSA-N 2 1 250.346 -0.056 20 30 CBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000876972508 584159228 /nfs/dbraw/zinc/15/92/28/584159228.db2.gz LDCJKHWCENPEBP-VXGBXAGGSA-N 2 1 286.807 -0.038 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000890368476 584548985 /nfs/dbraw/zinc/54/89/85/584548985.db2.gz IYJIESVPLYYWJD-UKRRQHHQSA-N 2 1 296.415 -0.304 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000890368476 584548987 /nfs/dbraw/zinc/54/89/87/584548987.db2.gz IYJIESVPLYYWJD-UKRRQHHQSA-N 2 1 296.415 -0.304 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](CC)CCO)C1 ZINC000890367468 584549117 /nfs/dbraw/zinc/54/91/17/584549117.db2.gz MIXXFLYBAMOXTQ-CQSZACIVSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](CC)CCO)C1 ZINC000890367468 584549119 /nfs/dbraw/zinc/54/91/19/584549119.db2.gz MIXXFLYBAMOXTQ-CQSZACIVSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](CC)CCO)C1 ZINC000890367468 584549121 /nfs/dbraw/zinc/54/91/21/584549121.db2.gz MIXXFLYBAMOXTQ-CQSZACIVSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](CC)CCO)C1 ZINC000890367468 584549122 /nfs/dbraw/zinc/54/91/22/584549122.db2.gz MIXXFLYBAMOXTQ-CQSZACIVSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407730 612963556 /nfs/dbraw/zinc/96/35/56/612963556.db2.gz SLGOZLOFYSYMEN-MYMJJRTCSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971785100 613083784 /nfs/dbraw/zinc/08/37/84/613083784.db2.gz QYXPZDIFUGRIID-MGPQQGTHSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971785100 613083785 /nfs/dbraw/zinc/08/37/85/613083785.db2.gz QYXPZDIFUGRIID-MGPQQGTHSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971785100 613083787 /nfs/dbraw/zinc/08/37/87/613083787.db2.gz QYXPZDIFUGRIID-MGPQQGTHSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971785100 613083788 /nfs/dbraw/zinc/08/37/88/613083788.db2.gz QYXPZDIFUGRIID-MGPQQGTHSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361832 613309629 /nfs/dbraw/zinc/30/96/29/613309629.db2.gz WPNMAJNNAZWOGZ-ARILJUKYSA-N 2 1 291.395 -0.367 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361832 613309630 /nfs/dbraw/zinc/30/96/30/613309630.db2.gz WPNMAJNNAZWOGZ-ARILJUKYSA-N 2 1 291.395 -0.367 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361832 613309632 /nfs/dbraw/zinc/30/96/32/613309632.db2.gz WPNMAJNNAZWOGZ-ARILJUKYSA-N 2 1 291.395 -0.367 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361832 613309634 /nfs/dbraw/zinc/30/96/34/613309634.db2.gz WPNMAJNNAZWOGZ-ARILJUKYSA-N 2 1 291.395 -0.367 20 30 CBEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958473436 613344811 /nfs/dbraw/zinc/34/48/11/613344811.db2.gz AEPFLTGERMTVFW-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958473436 613344812 /nfs/dbraw/zinc/34/48/12/613344812.db2.gz AEPFLTGERMTVFW-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958473436 613344813 /nfs/dbraw/zinc/34/48/13/613344813.db2.gz AEPFLTGERMTVFW-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958473436 613344814 /nfs/dbraw/zinc/34/48/14/613344814.db2.gz AEPFLTGERMTVFW-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958474238 613564381 /nfs/dbraw/zinc/56/43/81/613564381.db2.gz IIWFNZOSJBMKIX-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958474238 613564383 /nfs/dbraw/zinc/56/43/83/613564383.db2.gz IIWFNZOSJBMKIX-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474238 613564386 /nfs/dbraw/zinc/56/43/86/613564386.db2.gz IIWFNZOSJBMKIX-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474238 613564388 /nfs/dbraw/zinc/56/43/88/613564388.db2.gz IIWFNZOSJBMKIX-RFQIPJPRSA-N 2 1 279.384 -0.061 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595458 613611815 /nfs/dbraw/zinc/61/18/15/613611815.db2.gz RTAHZMHSCZOCLF-UONOGXRCSA-N 2 1 291.395 -0.486 20 30 CBEDMP CC[C@@H](C)NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000194687703 656103802 /nfs/dbraw/zinc/10/38/02/656103802.db2.gz DDYMCZJGASENSH-LLVKDONJSA-N 2 1 269.393 -0.147 20 30 CBEDMP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262002164 656128160 /nfs/dbraw/zinc/12/81/60/656128160.db2.gz USHMVRVMLXJOHB-CMPLNLGQSA-N 2 1 281.404 -0.278 20 30 CBEDMP COC(=O)[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303981022 656140304 /nfs/dbraw/zinc/14/03/04/656140304.db2.gz OQBKMOBULJMSCQ-LLVKDONJSA-N 2 1 286.376 -0.578 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000305781491 656141496 /nfs/dbraw/zinc/14/14/96/656141496.db2.gz OZKMJBIFMXEPAD-LBPRGKRZSA-N 2 1 297.403 -0.766 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996683400 656451680 /nfs/dbraw/zinc/45/16/80/656451680.db2.gz CDVPNZSUXIZOTL-ZDUSSCGKSA-N 2 1 292.383 -0.850 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996683400 656451688 /nfs/dbraw/zinc/45/16/88/656451688.db2.gz CDVPNZSUXIZOTL-ZDUSSCGKSA-N 2 1 292.383 -0.850 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908436295 656727193 /nfs/dbraw/zinc/72/71/93/656727193.db2.gz OLHHVXPZPDRZKP-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP CO[C@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)[N@@H+](C)C1 ZINC000913522682 657490096 /nfs/dbraw/zinc/49/00/96/657490096.db2.gz ULEOBVGXIYNOKG-RYUDHWBXSA-N 2 1 253.346 -0.613 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000913524019 657492553 /nfs/dbraw/zinc/49/25/53/657492553.db2.gz WQRVJJVDPZIZEN-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018664088 657837381 /nfs/dbraw/zinc/83/73/81/657837381.db2.gz YBULSKLGNVWEGM-RYUDHWBXSA-N 2 1 253.346 -0.307 20 30 CBEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018664088 657837382 /nfs/dbraw/zinc/83/73/82/657837382.db2.gz YBULSKLGNVWEGM-RYUDHWBXSA-N 2 1 253.346 -0.307 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001018964941 657855467 /nfs/dbraw/zinc/85/54/67/657855467.db2.gz PZBGEQJDWGOFPL-UONOGXRCSA-N 2 1 289.383 -0.363 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001019285892 657880559 /nfs/dbraw/zinc/88/05/59/657880559.db2.gz YABJWCAYQICDMZ-UONOGXRCSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001019285892 657880563 /nfs/dbraw/zinc/88/05/63/657880563.db2.gz YABJWCAYQICDMZ-UONOGXRCSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001020508350 658060975 /nfs/dbraw/zinc/06/09/75/658060975.db2.gz VBHMYDSVNJPPTK-MGPQQGTHSA-N 2 1 279.384 -0.034 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001020508350 658060983 /nfs/dbraw/zinc/06/09/83/658060983.db2.gz VBHMYDSVNJPPTK-MGPQQGTHSA-N 2 1 279.384 -0.034 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C ZINC000922629351 658065787 /nfs/dbraw/zinc/06/57/87/658065787.db2.gz JEJJIUXWNNHAIB-GFCCVEGCSA-N 2 1 252.362 -0.055 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000922629351 658065794 /nfs/dbraw/zinc/06/57/94/658065794.db2.gz JEJJIUXWNNHAIB-GFCCVEGCSA-N 2 1 252.362 -0.055 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000922629351 658065801 /nfs/dbraw/zinc/06/58/01/658065801.db2.gz JEJJIUXWNNHAIB-GFCCVEGCSA-N 2 1 252.362 -0.055 20 30 CBEDMP C=CCC[C@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923400578 658260837 /nfs/dbraw/zinc/26/08/37/658260837.db2.gz XBOLYMPKYJHPGV-AWEZNQCLSA-N 2 1 296.415 -0.044 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924978116 658683179 /nfs/dbraw/zinc/68/31/79/658683179.db2.gz VEUOMONEQIPBMI-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925319026 658823034 /nfs/dbraw/zinc/82/30/34/658823034.db2.gz YMIWZFWLUURYCS-NWDGAFQWSA-N 2 1 278.356 -0.434 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925319026 658823036 /nfs/dbraw/zinc/82/30/36/658823036.db2.gz YMIWZFWLUURYCS-NWDGAFQWSA-N 2 1 278.356 -0.434 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000987188800 659495286 /nfs/dbraw/zinc/49/52/86/659495286.db2.gz BKCOMMLQDAQHMO-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805453 805627045 /nfs/dbraw/zinc/62/70/45/805627045.db2.gz IJNMYCPYKTUDBU-FRRDWIJNSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805453 805627049 /nfs/dbraw/zinc/62/70/49/805627049.db2.gz IJNMYCPYKTUDBU-FRRDWIJNSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805453 805627052 /nfs/dbraw/zinc/62/70/52/805627052.db2.gz IJNMYCPYKTUDBU-FRRDWIJNSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805453 805627057 /nfs/dbraw/zinc/62/70/57/805627057.db2.gz IJNMYCPYKTUDBU-FRRDWIJNSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723672029 790801554 /nfs/dbraw/zinc/80/15/54/790801554.db2.gz IVPJESWRPDWWNL-JTQLQIEISA-N 2 1 254.334 -0.331 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003069 805670944 /nfs/dbraw/zinc/67/09/44/805670944.db2.gz RFRJRQYSOPAUHG-RBSFLKMASA-N 2 1 291.395 -0.487 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006001 805821170 /nfs/dbraw/zinc/82/11/70/805821170.db2.gz PKGJLOCGQDQEGB-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006001 805821180 /nfs/dbraw/zinc/82/11/80/805821180.db2.gz PKGJLOCGQDQEGB-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006001 805821189 /nfs/dbraw/zinc/82/11/89/805821189.db2.gz PKGJLOCGQDQEGB-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006001 805821197 /nfs/dbraw/zinc/82/11/97/805821197.db2.gz PKGJLOCGQDQEGB-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078007547 805822581 /nfs/dbraw/zinc/82/25/81/805822581.db2.gz SQBJWCKEDUDKBH-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078007547 805822589 /nfs/dbraw/zinc/82/25/89/805822589.db2.gz SQBJWCKEDUDKBH-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078007547 805822596 /nfs/dbraw/zinc/82/25/96/805822596.db2.gz SQBJWCKEDUDKBH-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078007547 805822603 /nfs/dbraw/zinc/82/26/03/805822603.db2.gz SQBJWCKEDUDKBH-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368805 806170961 /nfs/dbraw/zinc/17/09/61/806170961.db2.gz NRXUQSIMMJGPJT-YNEHKIRRSA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368805 806170967 /nfs/dbraw/zinc/17/09/67/806170967.db2.gz NRXUQSIMMJGPJT-YNEHKIRRSA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368805 806170971 /nfs/dbraw/zinc/17/09/71/806170971.db2.gz NRXUQSIMMJGPJT-YNEHKIRRSA-N 2 1 267.373 -0.061 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368805 806170975 /nfs/dbraw/zinc/17/09/75/806170975.db2.gz NRXUQSIMMJGPJT-YNEHKIRRSA-N 2 1 267.373 -0.061 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466314 806336512 /nfs/dbraw/zinc/33/65/12/806336512.db2.gz PBWAUEXHWHOQRV-ZNMIVQPWSA-N 2 1 291.395 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466314 806336519 /nfs/dbraw/zinc/33/65/19/806336519.db2.gz PBWAUEXHWHOQRV-ZNMIVQPWSA-N 2 1 291.395 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750149 806421401 /nfs/dbraw/zinc/42/14/01/806421401.db2.gz HRAUMVZOYFEOOH-KGLIPLIRSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750149 806421408 /nfs/dbraw/zinc/42/14/08/806421408.db2.gz HRAUMVZOYFEOOH-KGLIPLIRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778410 806431376 /nfs/dbraw/zinc/43/13/76/806431376.db2.gz LYLGSYPRSALFTN-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778410 806431382 /nfs/dbraw/zinc/43/13/82/806431382.db2.gz LYLGSYPRSALFTN-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778410 806431387 /nfs/dbraw/zinc/43/13/87/806431387.db2.gz LYLGSYPRSALFTN-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053573 806481296 /nfs/dbraw/zinc/48/12/96/806481296.db2.gz CFNYNXCVDNUCKS-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053573 806481299 /nfs/dbraw/zinc/48/12/99/806481299.db2.gz CFNYNXCVDNUCKS-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053573 806481306 /nfs/dbraw/zinc/48/13/06/806481306.db2.gz CFNYNXCVDNUCKS-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084052949 806481769 /nfs/dbraw/zinc/48/17/69/806481769.db2.gz NKPKXDTWMHEMQO-TUAOUCFPSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084052949 806481776 /nfs/dbraw/zinc/48/17/76/806481776.db2.gz NKPKXDTWMHEMQO-TUAOUCFPSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084052949 806481782 /nfs/dbraw/zinc/48/17/82/806481782.db2.gz NKPKXDTWMHEMQO-TUAOUCFPSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084052949 806481785 /nfs/dbraw/zinc/48/17/85/806481785.db2.gz NKPKXDTWMHEMQO-TUAOUCFPSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078775 806487424 /nfs/dbraw/zinc/48/74/24/806487424.db2.gz IFGNZIGKKMPRNZ-RDBSUJKOSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078775 806487428 /nfs/dbraw/zinc/48/74/28/806487428.db2.gz IFGNZIGKKMPRNZ-RDBSUJKOSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078775 806487430 /nfs/dbraw/zinc/48/74/30/806487430.db2.gz IFGNZIGKKMPRNZ-RDBSUJKOSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078775 806487433 /nfs/dbraw/zinc/48/74/33/806487433.db2.gz IFGNZIGKKMPRNZ-RDBSUJKOSA-N 2 1 297.399 -0.556 20 30 CBEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001084844833 806537845 /nfs/dbraw/zinc/53/78/45/806537845.db2.gz LCOGUMGUPIUZRY-KFWWJZLASA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001084844833 806537849 /nfs/dbraw/zinc/53/78/49/806537849.db2.gz LCOGUMGUPIUZRY-KFWWJZLASA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086052297 806640769 /nfs/dbraw/zinc/64/07/69/806640769.db2.gz GOFGGFVMACGLHW-FRRDWIJNSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086052297 806640771 /nfs/dbraw/zinc/64/07/71/806640771.db2.gz GOFGGFVMACGLHW-FRRDWIJNSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001023423342 798904534 /nfs/dbraw/zinc/90/45/34/798904534.db2.gz XCPYNJOLQCOMPQ-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001023423342 798904542 /nfs/dbraw/zinc/90/45/42/798904542.db2.gz XCPYNJOLQCOMPQ-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCO)C1 ZINC001023423342 798904546 /nfs/dbraw/zinc/90/45/46/798904546.db2.gz XCPYNJOLQCOMPQ-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCO)C1 ZINC001023423342 798904550 /nfs/dbraw/zinc/90/45/50/798904550.db2.gz XCPYNJOLQCOMPQ-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001025814055 798978962 /nfs/dbraw/zinc/97/89/62/798978962.db2.gz JZARMFYXSSOAIW-SBJFKYEJSA-N 2 1 291.395 -0.489 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001025814055 798978965 /nfs/dbraw/zinc/97/89/65/798978965.db2.gz JZARMFYXSSOAIW-SBJFKYEJSA-N 2 1 291.395 -0.489 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)O)C[C@H]21 ZINC001025814055 798978969 /nfs/dbraw/zinc/97/89/69/798978969.db2.gz JZARMFYXSSOAIW-SBJFKYEJSA-N 2 1 291.395 -0.489 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)O)C[C@H]21 ZINC001025814055 798978974 /nfs/dbraw/zinc/97/89/74/798978974.db2.gz JZARMFYXSSOAIW-SBJFKYEJSA-N 2 1 291.395 -0.489 20 30 CBEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001026470171 799005950 /nfs/dbraw/zinc/00/59/50/799005950.db2.gz QPTVAHVPSNXOFV-JXQTWKCFSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001026470171 799005959 /nfs/dbraw/zinc/00/59/59/799005959.db2.gz QPTVAHVPSNXOFV-JXQTWKCFSA-N 2 1 279.384 -0.033 20 30 CBEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461577 799140208 /nfs/dbraw/zinc/14/02/08/799140208.db2.gz UZGVSBSYWHKZQZ-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461577 799140210 /nfs/dbraw/zinc/14/02/10/799140210.db2.gz UZGVSBSYWHKZQZ-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461577 799140211 /nfs/dbraw/zinc/14/02/11/799140211.db2.gz UZGVSBSYWHKZQZ-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461577 799140213 /nfs/dbraw/zinc/14/02/13/799140213.db2.gz UZGVSBSYWHKZQZ-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001028604381 799153286 /nfs/dbraw/zinc/15/32/86/799153286.db2.gz WXIMGSHZVHSSBH-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001028604381 799153289 /nfs/dbraw/zinc/15/32/89/799153289.db2.gz WXIMGSHZVHSSBH-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCO)C1 ZINC001028604381 799153293 /nfs/dbraw/zinc/15/32/93/799153293.db2.gz WXIMGSHZVHSSBH-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCO)C1 ZINC001028604381 799153295 /nfs/dbraw/zinc/15/32/95/799153295.db2.gz WXIMGSHZVHSSBH-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595388 799516567 /nfs/dbraw/zinc/51/65/67/799516567.db2.gz WNBXARHLURCIIL-CYBMUJFWSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595388 799516573 /nfs/dbraw/zinc/51/65/73/799516573.db2.gz WNBXARHLURCIIL-CYBMUJFWSA-N 2 1 267.373 -0.059 20 30 CBEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689322 799533676 /nfs/dbraw/zinc/53/36/76/799533676.db2.gz SPFPWSOGSHZTEW-GJZGRUSLSA-N 2 1 291.395 -0.079 20 30 CBEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689322 799533681 /nfs/dbraw/zinc/53/36/81/799533681.db2.gz SPFPWSOGSHZTEW-GJZGRUSLSA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688858 799533921 /nfs/dbraw/zinc/53/39/21/799533921.db2.gz MRHOECXDNNEISV-HUUCEWRRSA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032202001 799593279 /nfs/dbraw/zinc/59/32/79/799593279.db2.gz MMQIRVMUNCGJEU-CQSZACIVSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032202001 799593284 /nfs/dbraw/zinc/59/32/84/799593284.db2.gz MMQIRVMUNCGJEU-CQSZACIVSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047431902 801872103 /nfs/dbraw/zinc/87/21/03/801872103.db2.gz JURZTLLSQHLCFF-KKUMJFAQSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047431902 801872111 /nfs/dbraw/zinc/87/21/11/801872111.db2.gz JURZTLLSQHLCFF-KKUMJFAQSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047431902 801872120 /nfs/dbraw/zinc/87/21/20/801872120.db2.gz JURZTLLSQHLCFF-KKUMJFAQSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047431902 801872129 /nfs/dbraw/zinc/87/21/29/801872129.db2.gz JURZTLLSQHLCFF-KKUMJFAQSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047527997 801896314 /nfs/dbraw/zinc/89/63/14/801896314.db2.gz LFCPUBGFOCSQRS-IHRRRGAJSA-N 2 1 279.384 -0.393 20 30 CBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047598136 801906881 /nfs/dbraw/zinc/90/68/81/801906881.db2.gz WXZGMTWPGSWOBA-ILXRZTDVSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047598136 801906886 /nfs/dbraw/zinc/90/68/86/801906886.db2.gz WXZGMTWPGSWOBA-ILXRZTDVSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047598136 801906889 /nfs/dbraw/zinc/90/68/89/801906889.db2.gz WXZGMTWPGSWOBA-ILXRZTDVSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047598136 801906897 /nfs/dbraw/zinc/90/68/97/801906897.db2.gz WXZGMTWPGSWOBA-ILXRZTDVSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739680 801960111 /nfs/dbraw/zinc/96/01/11/801960111.db2.gz OCKFEPCYGZZAAO-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739680 801960115 /nfs/dbraw/zinc/96/01/15/801960115.db2.gz OCKFEPCYGZZAAO-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739680 801960119 /nfs/dbraw/zinc/96/01/19/801960119.db2.gz OCKFEPCYGZZAAO-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739680 801960120 /nfs/dbraw/zinc/96/01/20/801960120.db2.gz OCKFEPCYGZZAAO-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001322083218 803857694 /nfs/dbraw/zinc/85/76/94/803857694.db2.gz QNOOCWAOVHRRIY-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001322083218 803857706 /nfs/dbraw/zinc/85/77/06/803857706.db2.gz QNOOCWAOVHRRIY-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001322280827 803884689 /nfs/dbraw/zinc/88/46/89/803884689.db2.gz KOPLCOCXIYEBFY-QWHCGFSZSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001322280827 803884699 /nfs/dbraw/zinc/88/46/99/803884699.db2.gz KOPLCOCXIYEBFY-QWHCGFSZSA-N 2 1 296.415 -0.488 20 30 CBEDMP COCC#CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001323349531 804013582 /nfs/dbraw/zinc/01/35/82/804013582.db2.gz AGKSBXANBOMFAQ-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587097 815036784 /nfs/dbraw/zinc/03/67/84/815036784.db2.gz DOZSMFLUNYFRBV-AWEZNQCLSA-N 2 1 299.415 -0.042 20 30 CBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151058178 815055375 /nfs/dbraw/zinc/05/53/75/815055375.db2.gz XCWGPOYEFPYOCV-OLZOCXBDSA-N 2 1 294.399 -0.569 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001151241867 815067680 /nfs/dbraw/zinc/06/76/80/815067680.db2.gz ICSNEAIETXRBAR-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073553846 805383445 /nfs/dbraw/zinc/38/34/45/805383445.db2.gz AGGFPOMDVPMOPV-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073553846 805383455 /nfs/dbraw/zinc/38/34/55/805383455.db2.gz AGGFPOMDVPMOPV-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553846 805383464 /nfs/dbraw/zinc/38/34/64/805383464.db2.gz AGGFPOMDVPMOPV-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553846 805383472 /nfs/dbraw/zinc/38/34/72/805383472.db2.gz AGGFPOMDVPMOPV-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001075123301 805483333 /nfs/dbraw/zinc/48/33/33/805483333.db2.gz FPRVQYUITNFQIX-IHRRRGAJSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001075123301 805483337 /nfs/dbraw/zinc/48/33/37/805483337.db2.gz FPRVQYUITNFQIX-IHRRRGAJSA-N 2 1 279.384 -0.081 20 30 CBEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151740902 815089817 /nfs/dbraw/zinc/08/98/17/815089817.db2.gz ZGMHHTVWQGZCNZ-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151740902 815089826 /nfs/dbraw/zinc/08/98/26/815089826.db2.gz ZGMHHTVWQGZCNZ-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152136931 815106156 /nfs/dbraw/zinc/10/61/56/815106156.db2.gz JADCFDLRJYDGTL-BETUJISGSA-N 2 1 296.415 -0.133 20 30 CBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001152426947 815120628 /nfs/dbraw/zinc/12/06/28/815120628.db2.gz RAMVFRGGXSXHLG-ZDUSSCGKSA-N 2 1 296.415 -0.181 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791537 815312996 /nfs/dbraw/zinc/31/29/96/815312996.db2.gz WJTPQIDSOFOHOP-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156124993 815338623 /nfs/dbraw/zinc/33/86/23/815338623.db2.gz DIPMERZWQDRLOR-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156124993 815338628 /nfs/dbraw/zinc/33/86/28/815338628.db2.gz DIPMERZWQDRLOR-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125229 815338732 /nfs/dbraw/zinc/33/87/32/815338732.db2.gz LQBNQIJINGPOOQ-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125229 815338739 /nfs/dbraw/zinc/33/87/39/815338739.db2.gz LQBNQIJINGPOOQ-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086389592 810267204 /nfs/dbraw/zinc/26/72/04/810267204.db2.gz SKCQZZZEPBIQRH-IHRRRGAJSA-N 2 1 279.384 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086389592 810267208 /nfs/dbraw/zinc/26/72/08/810267208.db2.gz SKCQZZZEPBIQRH-IHRRRGAJSA-N 2 1 279.384 -0.439 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090436081 810499233 /nfs/dbraw/zinc/49/92/33/810499233.db2.gz NBFHRPSOKFFWCZ-QWHCGFSZSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090436081 810499236 /nfs/dbraw/zinc/49/92/36/810499236.db2.gz NBFHRPSOKFFWCZ-QWHCGFSZSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090436082 810499407 /nfs/dbraw/zinc/49/94/07/810499407.db2.gz NBFHRPSOKFFWCZ-STQMWFEESA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090436082 810499414 /nfs/dbraw/zinc/49/94/14/810499414.db2.gz NBFHRPSOKFFWCZ-STQMWFEESA-N 2 1 278.356 -0.071 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574406 810528441 /nfs/dbraw/zinc/52/84/41/810528441.db2.gz SPMXHTBLWIRDLJ-KBPBESRZSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574406 810528450 /nfs/dbraw/zinc/52/84/50/810528450.db2.gz SPMXHTBLWIRDLJ-KBPBESRZSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574406 810528456 /nfs/dbraw/zinc/52/84/56/810528456.db2.gz SPMXHTBLWIRDLJ-KBPBESRZSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574406 810528461 /nfs/dbraw/zinc/52/84/61/810528461.db2.gz SPMXHTBLWIRDLJ-KBPBESRZSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090815071 810569597 /nfs/dbraw/zinc/56/95/97/810569597.db2.gz MIDZRXDHMQPJCR-CHWSQXEVSA-N 2 1 267.373 -0.180 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091096253 810592021 /nfs/dbraw/zinc/59/20/21/810592021.db2.gz PCRNOCOBYONEPD-BLYZHGLHSA-N 2 1 279.384 -0.177 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091096253 810592030 /nfs/dbraw/zinc/59/20/30/810592030.db2.gz PCRNOCOBYONEPD-BLYZHGLHSA-N 2 1 279.384 -0.177 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521884 810631297 /nfs/dbraw/zinc/63/12/97/810631297.db2.gz GLYPEOBBBZKWEJ-MGPQQGTHSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521884 810631307 /nfs/dbraw/zinc/63/13/07/810631307.db2.gz GLYPEOBBBZKWEJ-MGPQQGTHSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521884 810631313 /nfs/dbraw/zinc/63/13/13/810631313.db2.gz GLYPEOBBBZKWEJ-MGPQQGTHSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521884 810631318 /nfs/dbraw/zinc/63/13/18/810631318.db2.gz GLYPEOBBBZKWEJ-MGPQQGTHSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974119 810981513 /nfs/dbraw/zinc/98/15/13/810981513.db2.gz NNMGBFZOCUXLIP-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973472 810981778 /nfs/dbraw/zinc/98/17/78/810981778.db2.gz DPLOELCLOJTLFX-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972544 810982216 /nfs/dbraw/zinc/98/22/16/810982216.db2.gz YKEYADAHEZLZNT-KGLIPLIRSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973471 810982744 /nfs/dbraw/zinc/98/27/44/810982744.db2.gz DPLOELCLOJTLFX-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986288 810983528 /nfs/dbraw/zinc/98/35/28/810983528.db2.gz IROHSXLUILOTCN-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100064124 811010933 /nfs/dbraw/zinc/01/09/33/811010933.db2.gz IJOZLHCEHCOITD-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064124 811010940 /nfs/dbraw/zinc/01/09/40/811010940.db2.gz IJOZLHCEHCOITD-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064124 811010951 /nfs/dbraw/zinc/01/09/51/811010951.db2.gz IJOZLHCEHCOITD-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132352 811024626 /nfs/dbraw/zinc/02/46/26/811024626.db2.gz RYAJGUGUCTWRNL-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132352 811024628 /nfs/dbraw/zinc/02/46/28/811024628.db2.gz RYAJGUGUCTWRNL-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132352 811024636 /nfs/dbraw/zinc/02/46/36/811024636.db2.gz RYAJGUGUCTWRNL-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132352 811024638 /nfs/dbraw/zinc/02/46/38/811024638.db2.gz RYAJGUGUCTWRNL-OLZOCXBDSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132351 811026210 /nfs/dbraw/zinc/02/62/10/811026210.db2.gz RYAJGUGUCTWRNL-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132351 811026219 /nfs/dbraw/zinc/02/62/19/811026219.db2.gz RYAJGUGUCTWRNL-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132351 811026228 /nfs/dbraw/zinc/02/62/28/811026228.db2.gz RYAJGUGUCTWRNL-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132351 811026245 /nfs/dbraw/zinc/02/62/45/811026245.db2.gz RYAJGUGUCTWRNL-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP N#Cc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001157473957 815437959 /nfs/dbraw/zinc/43/79/59/815437959.db2.gz GVWSGOWTXZIUIU-ZDUSSCGKSA-N 2 1 287.367 -0.117 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118373 812179515 /nfs/dbraw/zinc/17/95/15/812179515.db2.gz DLQPAVTZYPRZIV-IMRBUKKESA-N 2 1 265.357 -0.756 20 30 CBEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118743 812179718 /nfs/dbraw/zinc/17/97/18/812179718.db2.gz KXQNAMCCYXIETF-IMRBUKKESA-N 2 1 267.373 -0.203 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486181 815535506 /nfs/dbraw/zinc/53/55/06/815535506.db2.gz HJNULJBPAOCRRB-OLZOCXBDSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CC[NH2+]CC(=O)NCC[NH+]1CCC(OC)CC1 ZINC001122005872 813103765 /nfs/dbraw/zinc/10/37/65/813103765.db2.gz WLNWQMSORYICJF-UHFFFAOYSA-N 2 1 253.346 -0.564 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124836387 813485789 /nfs/dbraw/zinc/48/57/89/813485789.db2.gz GFUXHYBHWXMVTB-LLVKDONJSA-N 2 1 268.361 -0.911 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124878852 813494655 /nfs/dbraw/zinc/49/46/55/813494655.db2.gz PWKCLRNJAFJEKX-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785074 813748899 /nfs/dbraw/zinc/74/88/99/813748899.db2.gz FKCXYYLBYNWCOY-QWHCGFSZSA-N 2 1 265.357 -0.421 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780535 813749130 /nfs/dbraw/zinc/74/91/30/813749130.db2.gz ZQAHHKLUYRJMCV-UONOGXRCSA-N 2 1 295.383 -0.795 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001129770898 813864426 /nfs/dbraw/zinc/86/44/26/813864426.db2.gz MZQUTPGPYFVGON-RYUDHWBXSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001129770898 813864436 /nfs/dbraw/zinc/86/44/36/813864436.db2.gz MZQUTPGPYFVGON-RYUDHWBXSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001129770138 813862897 /nfs/dbraw/zinc/86/28/97/813862897.db2.gz CBPJQIGZIAZMCQ-OLZOCXBDSA-N 2 1 292.383 -0.932 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001129770138 813862908 /nfs/dbraw/zinc/86/29/08/813862908.db2.gz CBPJQIGZIAZMCQ-OLZOCXBDSA-N 2 1 292.383 -0.932 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001129771267 813863386 /nfs/dbraw/zinc/86/33/86/813863386.db2.gz UMZZWDUFGYCVNZ-OLZOCXBDSA-N 2 1 292.383 -0.980 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001129771267 813863393 /nfs/dbraw/zinc/86/33/93/813863393.db2.gz UMZZWDUFGYCVNZ-OLZOCXBDSA-N 2 1 292.383 -0.980 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001129771081 813863483 /nfs/dbraw/zinc/86/34/83/813863483.db2.gz QJCQMEZHXLJRNH-NEPJUHHUSA-N 2 1 280.372 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001129771081 813863493 /nfs/dbraw/zinc/86/34/93/813863493.db2.gz QJCQMEZHXLJRNH-NEPJUHHUSA-N 2 1 280.372 -0.946 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001129771101 813864545 /nfs/dbraw/zinc/86/45/45/813864545.db2.gz QVLBLFQUHNDLDF-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001129771101 813864556 /nfs/dbraw/zinc/86/45/56/813864556.db2.gz QVLBLFQUHNDLDF-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387163 814028206 /nfs/dbraw/zinc/02/82/06/814028206.db2.gz DGAVATFQMPCZEC-GFCCVEGCSA-N 2 1 293.371 -0.412 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848834 814193458 /nfs/dbraw/zinc/19/34/58/814193458.db2.gz TVDDXUJUWLNSON-ZDUSSCGKSA-N 2 1 267.373 -0.175 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848833 814193646 /nfs/dbraw/zinc/19/36/46/814193646.db2.gz TVDDXUJUWLNSON-CYBMUJFWSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859131 814195970 /nfs/dbraw/zinc/19/59/70/814195970.db2.gz WWZGBYVYDQAVJH-LBPRGKRZSA-N 2 1 253.346 -0.565 20 30 CBEDMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133872968 814317474 /nfs/dbraw/zinc/31/74/74/814317474.db2.gz IZEHEAXBVUJVOE-UHFFFAOYSA-N 2 1 295.387 -0.936 20 30 CBEDMP N#C[C@H]1COCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160933972 815688875 /nfs/dbraw/zinc/68/88/75/815688875.db2.gz RYUAKIYYICWJSR-NSHDSACASA-N 2 1 252.318 -0.921 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161032009 815701321 /nfs/dbraw/zinc/70/13/21/815701321.db2.gz ACZBFAOGRRBXSZ-CYBMUJFWSA-N 2 1 296.415 -0.131 20 30 CBEDMP C#C[C@](C)(N)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161445282 815755440 /nfs/dbraw/zinc/75/54/40/815755440.db2.gz OEBLIVNZJRHUFZ-JSGCOSHPSA-N 2 1 266.389 -0.521 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872254 815847772 /nfs/dbraw/zinc/84/77/72/815847772.db2.gz LXKCPKQRRHLSDT-NPCAHTBFSA-N 2 1 291.395 -0.031 20 30 CBEDMP CC#CC[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001316968507 816908423 /nfs/dbraw/zinc/90/84/23/816908423.db2.gz VZELIPQEIDHCCU-UHFFFAOYSA-N 2 1 292.427 -0.161 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317067745 816927454 /nfs/dbraw/zinc/92/74/54/816927454.db2.gz ACBSVPSPDHMOFT-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317067745 816927456 /nfs/dbraw/zinc/92/74/56/816927456.db2.gz ACBSVPSPDHMOFT-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317126986 816935348 /nfs/dbraw/zinc/93/53/48/816935348.db2.gz CMPUZMIXHSAENM-BETUJISGSA-N 2 1 296.415 -0.134 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317287761 816958756 /nfs/dbraw/zinc/95/87/56/816958756.db2.gz CVQOOWHWQGVQIV-STQMWFEESA-N 2 1 267.373 -0.318 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001317291467 816960357 /nfs/dbraw/zinc/96/03/57/816960357.db2.gz VSPZBCWITOGFDQ-LBPRGKRZSA-N 2 1 278.356 -0.064 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CC ZINC001320235604 817301157 /nfs/dbraw/zinc/30/11/57/817301157.db2.gz PHZNQRBZMUVNFQ-KBPBESRZSA-N 2 1 277.368 -0.826 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CC ZINC001320235604 817301166 /nfs/dbraw/zinc/30/11/66/817301166.db2.gz PHZNQRBZMUVNFQ-KBPBESRZSA-N 2 1 277.368 -0.826 20 30 CBEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001320372899 817329467 /nfs/dbraw/zinc/32/94/67/817329467.db2.gz RSPOOXCRSIGFDT-OLZOCXBDSA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164539116 819923989 /nfs/dbraw/zinc/92/39/89/819923989.db2.gz SNGZPBHECUADET-CYBMUJFWSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515914 823765354 /nfs/dbraw/zinc/76/53/54/823765354.db2.gz CVQDWUNIBNMTLV-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166634224 820008979 /nfs/dbraw/zinc/00/89/79/820008979.db2.gz RHBIAANHWYDHGU-GFCCVEGCSA-N 2 1 295.387 -0.794 20 30 CBEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515914 823765357 /nfs/dbraw/zinc/76/53/57/823765357.db2.gz CVQDWUNIBNMTLV-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166633142 820009687 /nfs/dbraw/zinc/00/96/87/820009687.db2.gz AHOYHNQZOCVXDB-CYBMUJFWSA-N 2 1 296.415 -0.131 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668021 820013266 /nfs/dbraw/zinc/01/32/66/820013266.db2.gz OKHOMNQKQFAWCB-CYBMUJFWSA-N 2 1 296.415 -0.274 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166695021 820015601 /nfs/dbraw/zinc/01/56/01/820015601.db2.gz ZMDRIGRNBLRMBM-OLZOCXBDSA-N 2 1 294.399 -0.971 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166714166 820017779 /nfs/dbraw/zinc/01/77/79/820017779.db2.gz HCYALXDLVYSJPV-ZIAGYGMSSA-N 2 1 281.400 -0.070 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171216397 820351883 /nfs/dbraw/zinc/35/18/83/820351883.db2.gz HXJXTRUENVCFNO-CYBMUJFWSA-N 2 1 294.399 -0.827 20 30 CBEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001171219466 820352194 /nfs/dbraw/zinc/35/21/94/820352194.db2.gz XKLIOXUKYZVBPD-LBPRGKRZSA-N 2 1 295.387 -0.936 20 30 CBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181651360 820806959 /nfs/dbraw/zinc/80/69/59/820806959.db2.gz BJICONSLWOYHML-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821969 820832986 /nfs/dbraw/zinc/83/29/86/820832986.db2.gz KZSUPSUVJNKLKJ-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821969 820832996 /nfs/dbraw/zinc/83/29/96/820832996.db2.gz KZSUPSUVJNKLKJ-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185266770 821119398 /nfs/dbraw/zinc/11/93/98/821119398.db2.gz FXZLAPKMUJHYNF-UONOGXRCSA-N 2 1 280.416 -0.001 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCN1C ZINC001185266770 821119404 /nfs/dbraw/zinc/11/94/04/821119404.db2.gz FXZLAPKMUJHYNF-UONOGXRCSA-N 2 1 280.416 -0.001 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCN1C ZINC001185266770 821119411 /nfs/dbraw/zinc/11/94/11/821119411.db2.gz FXZLAPKMUJHYNF-UONOGXRCSA-N 2 1 280.416 -0.001 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186356738 821179861 /nfs/dbraw/zinc/17/98/61/821179861.db2.gz ZPEXCGNXBDQANF-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001280668375 828370674 /nfs/dbraw/zinc/37/06/74/828370674.db2.gz LWHBJALNBUYKLP-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001281254107 828410656 /nfs/dbraw/zinc/41/06/56/828410656.db2.gz CTJBAVIKZIZTMB-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001282497226 828450704 /nfs/dbraw/zinc/45/07/04/828450704.db2.gz MLMXUBMFCIEADC-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001282497226 828450708 /nfs/dbraw/zinc/45/07/08/828450708.db2.gz MLMXUBMFCIEADC-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001282497226 828450709 /nfs/dbraw/zinc/45/07/09/828450709.db2.gz MLMXUBMFCIEADC-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001282497226 828450715 /nfs/dbraw/zinc/45/07/15/828450715.db2.gz MLMXUBMFCIEADC-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001283763678 828545389 /nfs/dbraw/zinc/54/53/89/828545389.db2.gz IRKQCKXNAOHRRB-ZDUSSCGKSA-N 2 1 297.399 -0.813 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001283812339 828551297 /nfs/dbraw/zinc/55/12/97/828551297.db2.gz GQODTXAQGNITCN-LBPRGKRZSA-N 2 1 278.356 -0.294 20 30 CBEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515914 823765349 /nfs/dbraw/zinc/76/53/49/823765349.db2.gz CVQDWUNIBNMTLV-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515914 823765352 /nfs/dbraw/zinc/76/53/52/823765352.db2.gz CVQDWUNIBNMTLV-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961528 824053575 /nfs/dbraw/zinc/05/35/75/824053575.db2.gz VBZITQUCBKYKPS-MCIONIFRSA-N 2 1 281.400 -0.243 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961528 824053579 /nfs/dbraw/zinc/05/35/79/824053579.db2.gz VBZITQUCBKYKPS-MCIONIFRSA-N 2 1 281.400 -0.243 20 30 CBEDMP C#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194236265 824064855 /nfs/dbraw/zinc/06/48/55/824064855.db2.gz ZWVYVFLGFGQJBP-VXGBXAGGSA-N 2 1 267.373 -0.489 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860001 824135122 /nfs/dbraw/zinc/13/51/22/824135122.db2.gz RAIZHFZTMXPGAS-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197536018 824194938 /nfs/dbraw/zinc/19/49/38/824194938.db2.gz HBFDDHGHSDWVSA-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536018 824194940 /nfs/dbraw/zinc/19/49/40/824194940.db2.gz HBFDDHGHSDWVSA-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536018 824194943 /nfs/dbraw/zinc/19/49/43/824194943.db2.gz HBFDDHGHSDWVSA-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950153 824211054 /nfs/dbraw/zinc/21/10/54/824211054.db2.gz VQVOCKZFLGULTL-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200181520 824312059 /nfs/dbraw/zinc/31/20/59/824312059.db2.gz JJTPAYQMSOAHHH-KGLIPLIRSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200181520 824312060 /nfs/dbraw/zinc/31/20/60/824312060.db2.gz JJTPAYQMSOAHHH-KGLIPLIRSA-N 2 1 297.399 -0.290 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735072 824437150 /nfs/dbraw/zinc/43/71/50/824437150.db2.gz VKVWOJKXJFZLLR-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735072 824437152 /nfs/dbraw/zinc/43/71/52/824437152.db2.gz VKVWOJKXJFZLLR-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506473 824472766 /nfs/dbraw/zinc/47/27/66/824472766.db2.gz LUDNSKHVQSOHJH-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506473 824472767 /nfs/dbraw/zinc/47/27/67/824472767.db2.gz LUDNSKHVQSOHJH-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP N#Cc1c(N)nn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c1N ZINC001210263268 824478858 /nfs/dbraw/zinc/47/88/58/824478858.db2.gz VYDZGLCYZHPHEN-UHFFFAOYSA-N 2 1 284.327 -0.287 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237344 824991459 /nfs/dbraw/zinc/99/14/59/824991459.db2.gz TYSOGCWDRSICGR-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276589 825003139 /nfs/dbraw/zinc/00/31/39/825003139.db2.gz FULBRZCJSXMCGE-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220375855 825023471 /nfs/dbraw/zinc/02/34/71/825023471.db2.gz HPPWSCGCJUGFBJ-WOPDTQHZSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001246002718 825619244 /nfs/dbraw/zinc/61/92/44/825619244.db2.gz RNOSESNTEUEODZ-ZDUSSCGKSA-N 3 1 299.415 -0.083 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028097 825625713 /nfs/dbraw/zinc/62/57/13/825625713.db2.gz ZYAJICSCFWORIS-CHWSQXEVSA-N 2 1 258.362 -0.274 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246025480 825626004 /nfs/dbraw/zinc/62/60/04/825626004.db2.gz YNYGFVFYEXHNIL-CHWSQXEVSA-N 2 1 258.362 -0.274 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246025501 825626798 /nfs/dbraw/zinc/62/67/98/825626798.db2.gz YNYGFVFYEXHNIL-STQMWFEESA-N 2 1 258.362 -0.274 20 30 CBEDMP C=C[C@@](C)(O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246052029 825630546 /nfs/dbraw/zinc/63/05/46/825630546.db2.gz AJNIKUKCWOXTEF-CYBMUJFWSA-N 2 1 256.394 -0.992 20 30 CBEDMP C#CCOC[C@@H](O)CN1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001251844416 825794290 /nfs/dbraw/zinc/79/42/90/825794290.db2.gz RIPNTSNYIPGHFX-SOUVJXGZSA-N 2 1 282.384 -0.350 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001251844416 825794292 /nfs/dbraw/zinc/79/42/92/825794292.db2.gz RIPNTSNYIPGHFX-SOUVJXGZSA-N 2 1 282.384 -0.350 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001251844416 825794295 /nfs/dbraw/zinc/79/42/95/825794295.db2.gz RIPNTSNYIPGHFX-SOUVJXGZSA-N 2 1 282.384 -0.350 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001251854402 825796901 /nfs/dbraw/zinc/79/69/01/825796901.db2.gz CGBGJCXTIWKZPC-HZSPNIEDSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001251854402 825796903 /nfs/dbraw/zinc/79/69/03/825796903.db2.gz CGBGJCXTIWKZPC-HZSPNIEDSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001251887839 825802641 /nfs/dbraw/zinc/80/26/41/825802641.db2.gz KLEICYHCKJUTBV-CYBMUJFWSA-N 2 1 256.346 -0.957 20 30 CBEDMP C#CCOCCOCC[NH2+]C[C@H](O)C[NH+](CC)CC ZINC001253213041 825907385 /nfs/dbraw/zinc/90/73/85/825907385.db2.gz KTOYQEIZAHGBRE-AWEZNQCLSA-N 2 1 272.389 -0.055 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCO ZINC001264996533 826830022 /nfs/dbraw/zinc/83/00/22/826830022.db2.gz KDDPSTUUHKFUNV-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCO ZINC001264996533 826830031 /nfs/dbraw/zinc/83/00/31/826830031.db2.gz KDDPSTUUHKFUNV-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCO ZINC001264996533 826830039 /nfs/dbraw/zinc/83/00/39/826830039.db2.gz KDDPSTUUHKFUNV-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCO ZINC001264996533 826830045 /nfs/dbraw/zinc/83/00/45/826830045.db2.gz KDDPSTUUHKFUNV-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265240198 826861873 /nfs/dbraw/zinc/86/18/73/826861873.db2.gz JNLFYACOVSZLDT-HNNXBMFYSA-N 2 1 292.427 -0.162 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001265789983 826918532 /nfs/dbraw/zinc/91/85/32/826918532.db2.gz CNJGDRDCOALWIY-QWHCGFSZSA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265895466 826935466 /nfs/dbraw/zinc/93/54/66/826935466.db2.gz LZWBHMCBCPTCEB-QWHCGFSZSA-N 2 1 294.399 -0.427 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001266023780 826947043 /nfs/dbraw/zinc/94/70/43/826947043.db2.gz RHEZGQGKGNNTNA-AWEZNQCLSA-N 2 1 279.384 -0.220 20 30 CBEDMP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266277652 826970667 /nfs/dbraw/zinc/97/06/67/826970667.db2.gz KWOCEZUMZWUWFL-OAHLLOKOSA-N 2 1 292.427 -0.305 20 30 CBEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266567417 827021482 /nfs/dbraw/zinc/02/14/82/827021482.db2.gz CPPQVUQLXJRPCW-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266567417 827021490 /nfs/dbraw/zinc/02/14/90/827021490.db2.gz CPPQVUQLXJRPCW-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266667126 827045053 /nfs/dbraw/zinc/04/50/53/827045053.db2.gz QWFWRTZUIQOLMB-ZDUSSCGKSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266667126 827045061 /nfs/dbraw/zinc/04/50/61/827045061.db2.gz QWFWRTZUIQOLMB-ZDUSSCGKSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001266928212 827087455 /nfs/dbraw/zinc/08/74/55/827087455.db2.gz QBJFDSZJCBCTPY-NWDGAFQWSA-N 2 1 282.388 -0.523 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001266954589 827097048 /nfs/dbraw/zinc/09/70/48/827097048.db2.gz VGGJMVXIYARIEZ-LLVKDONJSA-N 2 1 293.371 -0.412 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001267043443 827110891 /nfs/dbraw/zinc/11/08/91/827110891.db2.gz AXUXWGBGOOFDEI-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001267043443 827110895 /nfs/dbraw/zinc/11/08/95/827110895.db2.gz AXUXWGBGOOFDEI-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267455691 827173709 /nfs/dbraw/zinc/17/37/09/827173709.db2.gz BZCURJUWKHCGKU-LBPRGKRZSA-N 2 1 295.387 -0.984 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001268068608 827252291 /nfs/dbraw/zinc/25/22/91/827252291.db2.gz MUBUKFLIIYXGNY-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001268068608 827252294 /nfs/dbraw/zinc/25/22/94/827252294.db2.gz MUBUKFLIIYXGNY-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001268307158 827289657 /nfs/dbraw/zinc/28/96/57/827289657.db2.gz DUKGZJBKUFSCQP-NEPJUHHUSA-N 2 1 271.336 -0.880 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001268307158 827289660 /nfs/dbraw/zinc/28/96/60/827289660.db2.gz DUKGZJBKUFSCQP-NEPJUHHUSA-N 2 1 271.336 -0.880 20 30 CBEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268355723 827314371 /nfs/dbraw/zinc/31/43/71/827314371.db2.gz ZIZWQEXFLJYBEB-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268355723 827314381 /nfs/dbraw/zinc/31/43/81/827314381.db2.gz ZIZWQEXFLJYBEB-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268422752 827324410 /nfs/dbraw/zinc/32/44/10/827324410.db2.gz HNFPMFAUCASSLO-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268642740 827388015 /nfs/dbraw/zinc/38/80/15/827388015.db2.gz UNQYWVCGXCIEMY-NEPJUHHUSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268642740 827388022 /nfs/dbraw/zinc/38/80/22/827388022.db2.gz UNQYWVCGXCIEMY-NEPJUHHUSA-N 2 1 253.346 -0.565 20 30 CBEDMP COCC#CCN1CC[C@@H](NC(=O)CN2CCCC2)C1 ZINC001269193500 827474003 /nfs/dbraw/zinc/47/40/03/827474003.db2.gz MBWYGBDOEPWMNW-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CCN1CC[C@](O)(CNC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001271159641 827670167 /nfs/dbraw/zinc/67/01/67/827670167.db2.gz LAAKJHDKIBYEDU-HOCLYGCPSA-N 2 1 289.379 -0.730 20 30 CBEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271208308 827676292 /nfs/dbraw/zinc/67/62/92/827676292.db2.gz IRLAFFHDFRZQDY-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271208308 827676296 /nfs/dbraw/zinc/67/62/96/827676296.db2.gz IRLAFFHDFRZQDY-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271208308 827676297 /nfs/dbraw/zinc/67/62/97/827676297.db2.gz IRLAFFHDFRZQDY-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272388101 827789701 /nfs/dbraw/zinc/78/97/01/827789701.db2.gz AQDDFAMHNVPGHV-QWHCGFSZSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272388101 827789706 /nfs/dbraw/zinc/78/97/06/827789706.db2.gz AQDDFAMHNVPGHV-QWHCGFSZSA-N 2 1 285.388 -0.650 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272505803 827810106 /nfs/dbraw/zinc/81/01/06/827810106.db2.gz ZTDPVZHJMDANCP-AVGNSLFASA-N 2 1 267.373 -0.583 20 30 CBEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273880317 827936344 /nfs/dbraw/zinc/93/63/44/827936344.db2.gz AHXWJBXNCIGPTF-UKRRQHHQSA-N 2 1 297.399 -0.602 20 30 CBEDMP C=C[C@@](C)(O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274616904 828011595 /nfs/dbraw/zinc/01/15/95/828011595.db2.gz RETRBYMCTJRMMY-CQSZACIVSA-N 2 1 297.399 -0.602 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001274689971 828019951 /nfs/dbraw/zinc/01/99/51/828019951.db2.gz OXVGXDKFUNSQMQ-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC ZINC001275184801 828063975 /nfs/dbraw/zinc/06/39/75/828063975.db2.gz IFUWAYVOEWUFDZ-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275802406 828116215 /nfs/dbraw/zinc/11/62/15/828116215.db2.gz ZZTXJVWSBXGLAC-NWDGAFQWSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001275639743 828105747 /nfs/dbraw/zinc/10/57/47/828105747.db2.gz YAFTURODKVRELG-LBPRGKRZSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001275639743 828105750 /nfs/dbraw/zinc/10/57/50/828105750.db2.gz YAFTURODKVRELG-LBPRGKRZSA-N 2 1 282.388 -0.876 20 30 CBEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001275800802 828116036 /nfs/dbraw/zinc/11/60/36/828116036.db2.gz LFSAETMGXWHXBF-UONOGXRCSA-N 2 1 297.399 -0.597 20 30 CBEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275802406 828116209 /nfs/dbraw/zinc/11/62/09/828116209.db2.gz ZZTXJVWSBXGLAC-NWDGAFQWSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275802406 828116211 /nfs/dbraw/zinc/11/62/11/828116211.db2.gz ZZTXJVWSBXGLAC-NWDGAFQWSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275802406 828116213 /nfs/dbraw/zinc/11/62/13/828116213.db2.gz ZZTXJVWSBXGLAC-NWDGAFQWSA-N 2 1 253.346 -0.613 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278742814 828279312 /nfs/dbraw/zinc/27/93/12/828279312.db2.gz GYCXLEGGPSPHKZ-CHWSQXEVSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278742814 828279317 /nfs/dbraw/zinc/27/93/17/828279317.db2.gz GYCXLEGGPSPHKZ-CHWSQXEVSA-N 2 1 285.388 -0.698 20 30 CBEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001326072855 884896091 /nfs/dbraw/zinc/89/60/91/884896091.db2.gz AXIDNLAPLRPVMW-AWEZNQCLSA-N 2 1 281.400 -0.096 20 30 CBEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278821684 884822264 /nfs/dbraw/zinc/82/22/64/884822264.db2.gz MHFWSPQKAKBCAL-JSGCOSHPSA-N 2 1 267.373 -0.323 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001329550952 886118416 /nfs/dbraw/zinc/11/84/16/886118416.db2.gz YTWIGHMYVNXDEI-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001329550952 886118421 /nfs/dbraw/zinc/11/84/21/886118421.db2.gz YTWIGHMYVNXDEI-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP CN1CC[NH+](CCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001329936534 886286033 /nfs/dbraw/zinc/28/60/33/886286033.db2.gz HQMMBNHKJGQBAE-UHFFFAOYSA-N 2 1 292.427 -0.257 20 30 CBEDMP C#CCN[C@@H](CO)CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001331741470 886949574 /nfs/dbraw/zinc/94/95/74/886949574.db2.gz UUSIWIXZIMMUJI-LLVKDONJSA-N 2 1 272.308 -0.124 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001331739339 886949892 /nfs/dbraw/zinc/94/98/92/886949892.db2.gz IOFGZPKMWFZFJI-LLVKDONJSA-N 2 1 294.355 -0.560 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC=C ZINC001332522654 887336287 /nfs/dbraw/zinc/33/62/87/887336287.db2.gz OPESXXWHWTWZFH-KGLIPLIRSA-N 2 1 279.384 -0.321 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC=C ZINC001332522654 887336295 /nfs/dbraw/zinc/33/62/95/887336295.db2.gz OPESXXWHWTWZFH-KGLIPLIRSA-N 2 1 279.384 -0.321 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001332529048 887339854 /nfs/dbraw/zinc/33/98/54/887339854.db2.gz LTSUIVXXMWIVMI-LLVKDONJSA-N 2 1 296.371 -0.055 20 30 CBEDMP CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+](C)CC1 ZINC001343026875 889859949 /nfs/dbraw/zinc/85/99/49/889859949.db2.gz XKNUSIWFJYLQGE-ZDUSSCGKSA-N 2 1 281.404 -0.287 20 30 CBEDMP CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+](C)CC1 ZINC001343026875 889859952 /nfs/dbraw/zinc/85/99/52/889859952.db2.gz XKNUSIWFJYLQGE-ZDUSSCGKSA-N 2 1 281.404 -0.287 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347639612 890489777 /nfs/dbraw/zinc/48/97/77/890489777.db2.gz QXNBVGAZDFEBJS-ZIAGYGMSSA-N 2 1 278.400 -0.554 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001347639612 890489786 /nfs/dbraw/zinc/48/97/86/890489786.db2.gz QXNBVGAZDFEBJS-ZIAGYGMSSA-N 2 1 278.400 -0.554 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001347639612 890489795 /nfs/dbraw/zinc/48/97/95/890489795.db2.gz QXNBVGAZDFEBJS-ZIAGYGMSSA-N 2 1 278.400 -0.554 20 30 CBEDMP C#CC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001357391856 891881338 /nfs/dbraw/zinc/88/13/38/891881338.db2.gz NDZFEDCEVDPBKX-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001357391855 891883588 /nfs/dbraw/zinc/88/35/88/891883588.db2.gz NDZFEDCEVDPBKX-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001507478068 921841729 /nfs/dbraw/zinc/84/17/29/921841729.db2.gz DZTBPRPBFQCYDJ-MGPQQGTHSA-N 2 1 281.400 -0.241 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001503133399 921406479 /nfs/dbraw/zinc/40/64/79/921406479.db2.gz ASAGXUMYWVTLPD-NWDGAFQWSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001503133399 921406481 /nfs/dbraw/zinc/40/64/81/921406481.db2.gz ASAGXUMYWVTLPD-NWDGAFQWSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001503133400 921407173 /nfs/dbraw/zinc/40/71/73/921407173.db2.gz ASAGXUMYWVTLPD-RYUDHWBXSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001503133400 921407179 /nfs/dbraw/zinc/40/71/79/921407179.db2.gz ASAGXUMYWVTLPD-RYUDHWBXSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056207 921532530 /nfs/dbraw/zinc/53/25/30/921532530.db2.gz BYIDFGPURRKVSM-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056207 921532537 /nfs/dbraw/zinc/53/25/37/921532537.db2.gz BYIDFGPURRKVSM-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CCO ZINC001506927144 921641728 /nfs/dbraw/zinc/64/17/28/921641728.db2.gz RBZHOUABBPSXQZ-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CCO ZINC001506927144 921641743 /nfs/dbraw/zinc/64/17/43/921641743.db2.gz RBZHOUABBPSXQZ-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001507064443 921665052 /nfs/dbraw/zinc/66/50/52/921665052.db2.gz VNFCCVGPPQVKFA-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001507202083 921735629 /nfs/dbraw/zinc/73/56/29/921735629.db2.gz IKGANVKGDNOZKH-VFQZCJPISA-N 2 1 299.802 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001507202083 921735640 /nfs/dbraw/zinc/73/56/40/921735640.db2.gz IKGANVKGDNOZKH-VFQZCJPISA-N 2 1 299.802 -0.097 20 30 CBEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001507200137 921736901 /nfs/dbraw/zinc/73/69/01/921736901.db2.gz DOMSBOVYIVBHSP-VXGBXAGGSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001507202081 921737178 /nfs/dbraw/zinc/73/71/78/921737178.db2.gz IKGANVKGDNOZKH-RMKKPPKKSA-N 2 1 299.802 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001507202081 921737189 /nfs/dbraw/zinc/73/71/89/921737189.db2.gz IKGANVKGDNOZKH-RMKKPPKKSA-N 2 1 299.802 -0.097 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507263635 921790250 /nfs/dbraw/zinc/79/02/50/921790250.db2.gz ARMLOWGKBUGUQO-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001477869476 916019349 /nfs/dbraw/zinc/01/93/49/916019349.db2.gz YMJGDLJYJXXDAD-CQSZACIVSA-N 2 1 295.431 -0.514 20 30 CBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480965387 916661541 /nfs/dbraw/zinc/66/15/41/916661541.db2.gz OVOVZXLPQKRRLI-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480965387 916661546 /nfs/dbraw/zinc/66/15/46/916661546.db2.gz OVOVZXLPQKRRLI-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480965387 916661554 /nfs/dbraw/zinc/66/15/54/916661554.db2.gz OVOVZXLPQKRRLI-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480965387 916661564 /nfs/dbraw/zinc/66/15/64/916661564.db2.gz OVOVZXLPQKRRLI-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001481257330 916789767 /nfs/dbraw/zinc/78/97/67/916789767.db2.gz DFPSUYZCRKCLHP-UHFFFAOYSA-N 2 1 293.371 -0.458 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001481434632 916836503 /nfs/dbraw/zinc/83/65/03/916836503.db2.gz CTVUTYNXPANLNS-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001481434632 916836517 /nfs/dbraw/zinc/83/65/17/916836517.db2.gz CTVUTYNXPANLNS-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCO)C1 ZINC001481434632 916836532 /nfs/dbraw/zinc/83/65/32/916836532.db2.gz CTVUTYNXPANLNS-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCO)C1 ZINC001481434632 916836550 /nfs/dbraw/zinc/83/65/50/916836550.db2.gz CTVUTYNXPANLNS-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001481840625 917002292 /nfs/dbraw/zinc/00/22/92/917002292.db2.gz LIKVBXZBKINZMD-QWHCGFSZSA-N 2 1 296.415 -0.133 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482269503 917110393 /nfs/dbraw/zinc/11/03/93/917110393.db2.gz PFIMKAWGHGPNAW-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482269503 917110399 /nfs/dbraw/zinc/11/03/99/917110399.db2.gz PFIMKAWGHGPNAW-STQMWFEESA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001482624996 917187194 /nfs/dbraw/zinc/18/71/94/917187194.db2.gz FEXKCYAUGYVBIN-ZDUSSCGKSA-N 2 1 296.415 -0.534 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001482624996 917187199 /nfs/dbraw/zinc/18/71/99/917187199.db2.gz FEXKCYAUGYVBIN-ZDUSSCGKSA-N 2 1 296.415 -0.534 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001482742526 917246265 /nfs/dbraw/zinc/24/62/65/917246265.db2.gz RWRFWUOCSLHLAC-CHWSQXEVSA-N 2 1 267.373 -0.439 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483116155 917417729 /nfs/dbraw/zinc/41/77/29/917417729.db2.gz CPYLLACIDYDJPR-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001484486811 917869687 /nfs/dbraw/zinc/86/96/87/917869687.db2.gz AXIDNLAPLRPVMW-CQSZACIVSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484872309 917955601 /nfs/dbraw/zinc/95/56/01/917955601.db2.gz YTIOFRTUAMYEQT-CYBMUJFWSA-N 2 1 279.384 -0.174 20 30 CBEDMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)NCC#N ZINC001485346578 918087835 /nfs/dbraw/zinc/08/78/35/918087835.db2.gz WMGINIXDHUFQNE-NSHDSACASA-N 2 1 283.376 -0.986 20 30 CBEDMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)NCC#N ZINC001485346578 918087851 /nfs/dbraw/zinc/08/78/51/918087851.db2.gz WMGINIXDHUFQNE-NSHDSACASA-N 2 1 283.376 -0.986 20 30 CBEDMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)NCC#N ZINC001485382980 918107241 /nfs/dbraw/zinc/10/72/41/918107241.db2.gz JOKZBWLGDYMTEA-GFCCVEGCSA-N 2 1 295.387 -0.842 20 30 CBEDMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)NCC#N ZINC001485382980 918107249 /nfs/dbraw/zinc/10/72/49/918107249.db2.gz JOKZBWLGDYMTEA-GFCCVEGCSA-N 2 1 295.387 -0.842 20 30 CBEDMP C=CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053199 918345219 /nfs/dbraw/zinc/34/52/19/918345219.db2.gz WCCDCIDLMICYGT-NEPJUHHUSA-N 2 1 255.362 -0.419 20 30 CBEDMP C=CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053200 918346327 /nfs/dbraw/zinc/34/63/27/918346327.db2.gz WCCDCIDLMICYGT-NWDGAFQWSA-N 2 1 255.362 -0.419 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053366 918349524 /nfs/dbraw/zinc/34/95/24/918349524.db2.gz ZMMYPMQMQGPIML-STQMWFEESA-N 2 1 267.373 -0.582 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)CCC ZINC001486313695 918423797 /nfs/dbraw/zinc/42/37/97/918423797.db2.gz FJVBWZYWSRCZOU-ZDUSSCGKSA-N 2 1 269.389 -0.240 20 30 CBEDMP C=CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001489212774 918798441 /nfs/dbraw/zinc/79/84/41/918798441.db2.gz JRJGYHNYCLNDHW-AWEZNQCLSA-N 2 1 299.415 -0.090 20 30 CBEDMP C=CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001489212774 918798456 /nfs/dbraw/zinc/79/84/56/918798456.db2.gz JRJGYHNYCLNDHW-AWEZNQCLSA-N 2 1 299.415 -0.090 20 30 CBEDMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001489212774 918798471 /nfs/dbraw/zinc/79/84/71/918798471.db2.gz JRJGYHNYCLNDHW-AWEZNQCLSA-N 2 1 299.415 -0.090 20 30 CBEDMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001489212774 918798478 /nfs/dbraw/zinc/79/84/78/918798478.db2.gz JRJGYHNYCLNDHW-AWEZNQCLSA-N 2 1 299.415 -0.090 20 30 CBEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490648018 918953334 /nfs/dbraw/zinc/95/33/34/918953334.db2.gz GXADFLORBDBVHK-UONOGXRCSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490648018 918953348 /nfs/dbraw/zinc/95/33/48/918953348.db2.gz GXADFLORBDBVHK-UONOGXRCSA-N 2 1 279.384 -0.175 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001491675488 919251281 /nfs/dbraw/zinc/25/12/81/919251281.db2.gz UKMROHIJBIXDNT-NSHDSACASA-N 2 1 293.371 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C[C@H](C)O ZINC001492967759 919457467 /nfs/dbraw/zinc/45/74/67/919457467.db2.gz PGNDUONNJZAVEC-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C[C@H](C)O ZINC001492967759 919457473 /nfs/dbraw/zinc/45/74/73/919457473.db2.gz PGNDUONNJZAVEC-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@H](C)O ZINC001492967759 919457484 /nfs/dbraw/zinc/45/74/84/919457484.db2.gz PGNDUONNJZAVEC-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@H](C)O ZINC001492967759 919457494 /nfs/dbraw/zinc/45/74/94/919457494.db2.gz PGNDUONNJZAVEC-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493793833 919619644 /nfs/dbraw/zinc/61/96/44/919619644.db2.gz NHFFZZLYSXJRQY-QWHCGFSZSA-N 2 1 296.415 -0.323 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=C)C ZINC001496999584 920201315 /nfs/dbraw/zinc/20/13/15/920201315.db2.gz VZLGXXNXDGPFSS-KBPBESRZSA-N 2 1 279.384 -0.273 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=C)C ZINC001496999584 920201326 /nfs/dbraw/zinc/20/13/26/920201326.db2.gz VZLGXXNXDGPFSS-KBPBESRZSA-N 2 1 279.384 -0.273 20 30 CBEDMP C#CC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001498143720 920499290 /nfs/dbraw/zinc/49/92/90/920499290.db2.gz XBXAEIYTLKOUJE-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498528838 920602104 /nfs/dbraw/zinc/60/21/04/920602104.db2.gz IGTKJCNUQFGYLM-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498528838 920602109 /nfs/dbraw/zinc/60/21/09/920602109.db2.gz IGTKJCNUQFGYLM-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001499311142 920734219 /nfs/dbraw/zinc/73/42/19/920734219.db2.gz ZFVMBDQZOHWUQX-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500687008 920854961 /nfs/dbraw/zinc/85/49/61/920854961.db2.gz QELGJXUHZDVQRM-AWEZNQCLSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500724624 920865985 /nfs/dbraw/zinc/86/59/85/920865985.db2.gz GNORSRUHXMBRFK-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500724624 920865994 /nfs/dbraw/zinc/86/59/94/920865994.db2.gz GNORSRUHXMBRFK-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500724624 920866008 /nfs/dbraw/zinc/86/60/08/920866008.db2.gz GNORSRUHXMBRFK-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507569768 921867598 /nfs/dbraw/zinc/86/75/98/921867598.db2.gz WVAMVHKRBZYWOU-GFCCVEGCSA-N 2 1 255.362 -0.631 20 30 CBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001507598062 921879529 /nfs/dbraw/zinc/87/95/29/921879529.db2.gz DBQNQIPPAXINEZ-KGLIPLIRSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507598062 921879543 /nfs/dbraw/zinc/87/95/43/921879543.db2.gz DBQNQIPPAXINEZ-KGLIPLIRSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507598062 921879556 /nfs/dbraw/zinc/87/95/56/921879556.db2.gz DBQNQIPPAXINEZ-KGLIPLIRSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001521504590 922363486 /nfs/dbraw/zinc/36/34/86/922363486.db2.gz YVNVAOGMLCVFAN-CQSZACIVSA-N 2 1 278.400 -0.552 20 30 CBEDMP CN(C)C(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000170910463 352004205 /nfs/dbraw/zinc/00/42/05/352004205.db2.gz ZSHCPDVRHBMCQT-UHFFFAOYSA-N 2 1 291.403 -0.135 20 30 CBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1C ZINC000329355366 352789142 /nfs/dbraw/zinc/78/91/42/352789142.db2.gz GPJCTKXOSCBFHL-CHWSQXEVSA-N 2 1 283.420 -0.170 20 30 CBEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000329355366 352789145 /nfs/dbraw/zinc/78/91/45/352789145.db2.gz GPJCTKXOSCBFHL-CHWSQXEVSA-N 2 1 283.420 -0.170 20 30 CBEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000329355366 352789148 /nfs/dbraw/zinc/78/91/48/352789148.db2.gz GPJCTKXOSCBFHL-CHWSQXEVSA-N 2 1 283.420 -0.170 20 30 CBEDMP C[C@]1(O)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000341872375 353217459 /nfs/dbraw/zinc/21/74/59/353217459.db2.gz PJJKRNHYPTWWIT-KBPBESRZSA-N 2 1 252.358 -0.097 20 30 CBEDMP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000341905107 353218390 /nfs/dbraw/zinc/21/83/90/353218390.db2.gz BTVGUDZGHLNGKF-XJFOESAGSA-N 2 1 252.358 -0.385 20 30 CBEDMP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000341905107 353218392 /nfs/dbraw/zinc/21/83/92/353218392.db2.gz BTVGUDZGHLNGKF-XJFOESAGSA-N 2 1 252.358 -0.385 20 30 CBEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000591723351 355111256 /nfs/dbraw/zinc/11/12/56/355111256.db2.gz WIKMGHIRKRHWEB-CYBMUJFWSA-N 2 1 254.378 -0.123 20 30 CBEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592155289 355135092 /nfs/dbraw/zinc/13/50/92/355135092.db2.gz ZKSZYMABXUYDMS-CQSZACIVSA-N 2 1 280.372 -0.499 20 30 CBEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592155289 355135093 /nfs/dbraw/zinc/13/50/93/355135093.db2.gz ZKSZYMABXUYDMS-CQSZACIVSA-N 2 1 280.372 -0.499 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174731 220236234 /nfs/dbraw/zinc/23/62/34/220236234.db2.gz FNRPILSJEYCODQ-NWDGAFQWSA-N 2 1 282.388 -0.536 20 30 CBEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000261948080 220246438 /nfs/dbraw/zinc/24/64/38/220246438.db2.gz GLXZDCRVMAXDAW-CYBMUJFWSA-N 2 1 283.420 -0.293 20 30 CBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)C[C@H]1CCOC1 ZINC000261598415 220243914 /nfs/dbraw/zinc/24/39/14/220243914.db2.gz AMXUUXZNRATHKD-ZIAGYGMSSA-N 2 1 297.447 -0.224 20 30 CBEDMP C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261819936 220246033 /nfs/dbraw/zinc/24/60/33/220246033.db2.gz UJICCKDJKOVEPI-GXFFZTMASA-N 2 1 293.415 -0.087 20 30 CBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCO[C@@H](COC)C1 ZINC000262018874 220248422 /nfs/dbraw/zinc/24/84/22/220248422.db2.gz VXTQWEZSPQCOPW-QWHCGFSZSA-N 2 1 284.404 -0.139 20 30 CBEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCSCC2)C1 ZINC000262347580 220250007 /nfs/dbraw/zinc/25/00/07/220250007.db2.gz YHFUEPQAIACNAS-LLVKDONJSA-N 2 1 258.391 -0.584 20 30 CBEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000262292894 220250025 /nfs/dbraw/zinc/25/00/25/220250025.db2.gz NBTDURXJBDVFMK-CYBMUJFWSA-N 2 1 284.404 -0.010 20 30 CBEDMP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000262452068 220251328 /nfs/dbraw/zinc/25/13/28/220251328.db2.gz UVBAZCGKELVDFL-WCQYABFASA-N 2 1 294.403 -0.430 20 30 CBEDMP CN1CC[NH+]=C1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000262675197 220254796 /nfs/dbraw/zinc/25/47/96/220254796.db2.gz SWMYWZNTCOLCNJ-UHFFFAOYSA-N 2 1 253.394 -0.097 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncn(C)n1 ZINC000262688588 220256160 /nfs/dbraw/zinc/25/61/60/220256160.db2.gz ZKFAHRSUWMYEEA-SNVBAGLBSA-N 2 1 265.365 -0.296 20 30 CBEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(C(C)=O)CC1 ZINC000263109808 220261231 /nfs/dbraw/zinc/26/12/31/220261231.db2.gz DMXQPXVAUMFAQR-UHFFFAOYSA-N 2 1 292.387 -0.069 20 30 CBEDMP C[NH+]=C(NCCn1cncn1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262840163 220257346 /nfs/dbraw/zinc/25/73/46/220257346.db2.gz XESFFWIQXAQRGP-NSHDSACASA-N 2 1 277.376 -0.320 20 30 CBEDMP C[NH+]=C(NCCn1cncn1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262840163 220257351 /nfs/dbraw/zinc/25/73/51/220257351.db2.gz XESFFWIQXAQRGP-NSHDSACASA-N 2 1 277.376 -0.320 20 30 CBEDMP Cc1n[nH]cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264066317 220262670 /nfs/dbraw/zinc/26/26/70/220262670.db2.gz BICGQBPJXWVHAP-UHFFFAOYSA-N 2 1 280.376 -0.155 20 30 CBEDMP CC[N@H+](C)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264101796 220263892 /nfs/dbraw/zinc/26/38/92/220263892.db2.gz OHOZLQQVYSSBCB-UHFFFAOYSA-N 2 1 291.403 -0.135 20 30 CBEDMP CC[N@@H+](C)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264101796 220263895 /nfs/dbraw/zinc/26/38/95/220263895.db2.gz OHOZLQQVYSSBCB-UHFFFAOYSA-N 2 1 291.403 -0.135 20 30 CBEDMP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000263045537 220261407 /nfs/dbraw/zinc/26/14/07/220261407.db2.gz FHIGELPEZCEYAL-STQMWFEESA-N 2 1 283.420 -0.424 20 30 CBEDMP CC[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000330749590 220361625 /nfs/dbraw/zinc/36/16/25/220361625.db2.gz UKNQZDWBCMESHP-GFCCVEGCSA-N 2 1 271.409 -0.313 20 30 CBEDMP CC[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330749590 220361627 /nfs/dbraw/zinc/36/16/27/220361627.db2.gz UKNQZDWBCMESHP-GFCCVEGCSA-N 2 1 271.409 -0.313 20 30 CBEDMP CC[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330749590 220361629 /nfs/dbraw/zinc/36/16/29/220361629.db2.gz UKNQZDWBCMESHP-GFCCVEGCSA-N 2 1 271.409 -0.313 20 30 CBEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000236659845 419570788 /nfs/dbraw/zinc/57/07/88/419570788.db2.gz WALGFTALXOAPSN-GFCCVEGCSA-N 2 1 253.346 -0.259 20 30 CBEDMP CNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000195522766 262252186 /nfs/dbraw/zinc/25/21/86/262252186.db2.gz UMCHNLSWZDIICR-UHFFFAOYSA-N 2 1 262.361 -0.133 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CC[NH+](C)C1 ZINC000262275203 276378037 /nfs/dbraw/zinc/37/80/37/276378037.db2.gz HVFUBDHXEHDDEU-GXTWGEPZSA-N 3 1 283.420 -0.558 20 30 CBEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000262275203 276378039 /nfs/dbraw/zinc/37/80/39/276378039.db2.gz HVFUBDHXEHDDEU-GXTWGEPZSA-N 3 1 283.420 -0.558 20 30 CBEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000262275203 276378041 /nfs/dbraw/zinc/37/80/41/276378041.db2.gz HVFUBDHXEHDDEU-GXTWGEPZSA-N 3 1 283.420 -0.558 20 30 CBEDMP C#CC[N@@H+](C)CCCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000327952064 330259712 /nfs/dbraw/zinc/25/97/12/330259712.db2.gz AGGXVYPHCZWTSO-CQSZACIVSA-N 3 1 253.390 -0.014 20 30 CBEDMP C#CC[NH+](C)CCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000327952064 330259713 /nfs/dbraw/zinc/25/97/13/330259713.db2.gz AGGXVYPHCZWTSO-CQSZACIVSA-N 3 1 253.390 -0.014 20 30 CBEDMP C#CC[NH+](C)CCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000327952064 330259714 /nfs/dbraw/zinc/25/97/14/330259714.db2.gz AGGXVYPHCZWTSO-CQSZACIVSA-N 3 1 253.390 -0.014 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000490638143 332098867 /nfs/dbraw/zinc/09/88/67/332098867.db2.gz VLLFYLCAXCKAMG-OAHLLOKOSA-N 2 1 292.427 -0.306 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000490984770 332136092 /nfs/dbraw/zinc/13/60/92/332136092.db2.gz HVHUOWXGEDDNLA-OAHLLOKOSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+](C)C2(CO)CC2)CC1 ZINC000491071768 332144188 /nfs/dbraw/zinc/14/41/88/332144188.db2.gz NFLBEYITSJDSHS-UHFFFAOYSA-N 2 1 265.357 -0.780 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](C)C2(CO)CC2)CC1 ZINC000491071768 332144190 /nfs/dbraw/zinc/14/41/90/332144190.db2.gz NFLBEYITSJDSHS-UHFFFAOYSA-N 2 1 265.357 -0.780 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCO)CC2CC2)CC1 ZINC000491124999 332153319 /nfs/dbraw/zinc/15/33/19/332153319.db2.gz AJJRLBMFGHXRQJ-UHFFFAOYSA-N 2 1 279.384 -0.532 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000491307072 332186674 /nfs/dbraw/zinc/18/66/74/332186674.db2.gz OVVWKZYWEKISCG-UHFFFAOYSA-N 2 1 280.372 -0.675 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCOC2)CC1 ZINC000491407724 332206536 /nfs/dbraw/zinc/20/65/36/332206536.db2.gz SJIUXJUTBVKNFE-CYBMUJFWSA-N 2 1 265.357 -0.516 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@@H]2CCOC2)CC1 ZINC000491407724 332206537 /nfs/dbraw/zinc/20/65/37/332206537.db2.gz SJIUXJUTBVKNFE-CYBMUJFWSA-N 2 1 265.357 -0.516 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491654123 332266449 /nfs/dbraw/zinc/26/64/49/332266449.db2.gz PBUJRMJYODGIRY-LBPRGKRZSA-N 2 1 252.362 -0.022 20 30 CBEDMP C#CC[N@@H+](C)CCCNS(=O)(=O)CC[NH+]1CCCC1 ZINC000491661411 332271298 /nfs/dbraw/zinc/27/12/98/332271298.db2.gz DRHIYTQZBRFDSA-UHFFFAOYSA-N 2 1 287.429 -0.043 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000491737515 332317114 /nfs/dbraw/zinc/31/71/14/332317114.db2.gz DZGDLXGJOLVDKB-GFCCVEGCSA-N 2 1 252.362 -0.007 20 30 CBEDMP C#CCNC(=O)CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000491767677 332335213 /nfs/dbraw/zinc/33/52/13/332335213.db2.gz JFCQNYUAXBEDST-CQSZACIVSA-N 2 1 281.400 -0.048 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000491770339 332337226 /nfs/dbraw/zinc/33/72/26/332337226.db2.gz MEKTYQNQQKKEGY-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000491770339 332337227 /nfs/dbraw/zinc/33/72/27/332337227.db2.gz MEKTYQNQQKKEGY-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000491770339 332337229 /nfs/dbraw/zinc/33/72/29/332337229.db2.gz MEKTYQNQQKKEGY-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000491770339 332337231 /nfs/dbraw/zinc/33/72/31/332337231.db2.gz MEKTYQNQQKKEGY-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000567681686 334751280 /nfs/dbraw/zinc/75/12/80/334751280.db2.gz YQYBVQNYPZOBBM-OAHLLOKOSA-N 2 1 298.431 -0.107 20 30 CBEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@H](C)COC ZINC000104173097 582113128 /nfs/dbraw/zinc/11/31/28/582113128.db2.gz OKHZISXGFLTNHA-LLVKDONJSA-N 2 1 260.382 -0.106 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000732305918 582158459 /nfs/dbraw/zinc/15/84/59/582158459.db2.gz HPLCRXCPPHIHKL-HNNXBMFYSA-N 2 1 292.427 -0.210 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000732305918 582158460 /nfs/dbraw/zinc/15/84/60/582158460.db2.gz HPLCRXCPPHIHKL-HNNXBMFYSA-N 2 1 292.427 -0.210 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000764230025 582322787 /nfs/dbraw/zinc/32/27/87/582322787.db2.gz BKOMJCQVEGBYKV-UHFFFAOYSA-N 2 1 282.388 -0.569 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000815069431 582460427 /nfs/dbraw/zinc/46/04/27/582460427.db2.gz GRUSSIAJJJVXFE-HNNXBMFYSA-N 2 1 292.427 -0.162 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)N1 ZINC000849001320 583466285 /nfs/dbraw/zinc/46/62/85/583466285.db2.gz PJRMCLWMFKOHEE-VXGBXAGGSA-N 2 1 281.404 -0.134 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713071 583780579 /nfs/dbraw/zinc/78/05/79/583780579.db2.gz YUUXWPUNSUIDNT-KFWWJZLASA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861713071 583780580 /nfs/dbraw/zinc/78/05/80/583780580.db2.gz YUUXWPUNSUIDNT-KFWWJZLASA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861713071 583780582 /nfs/dbraw/zinc/78/05/82/583780582.db2.gz YUUXWPUNSUIDNT-KFWWJZLASA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861713071 583780584 /nfs/dbraw/zinc/78/05/84/583780584.db2.gz YUUXWPUNSUIDNT-KFWWJZLASA-N 2 1 291.395 -0.249 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861713587 583780647 /nfs/dbraw/zinc/78/06/47/583780647.db2.gz DFFKNJWVGFHNBX-QWHCGFSZSA-N 2 1 267.373 -0.228 20 30 CBEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000878454668 584203617 /nfs/dbraw/zinc/20/36/17/584203617.db2.gz ZWASGPCOHLSGAV-ZIAGYGMSSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[C@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000883124012 584337409 /nfs/dbraw/zinc/33/74/09/584337409.db2.gz SLWBJKQJDGUWSA-CQSZACIVSA-N 2 1 289.383 -0.298 20 30 CBEDMP C[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884240881 584369650 /nfs/dbraw/zinc/36/96/50/584369650.db2.gz HNBXUOJVNPDIHW-MBHSVXNSSA-N 2 1 262.357 -0.100 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490998 584891657 /nfs/dbraw/zinc/89/16/57/584891657.db2.gz QGSIQRNOYPSYKL-WDMOLILDSA-N 2 1 281.356 -0.499 20 30 CBEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972558997 613080243 /nfs/dbraw/zinc/08/02/43/613080243.db2.gz XROOGQZVMJTBEW-CQSZACIVSA-N 2 1 279.384 -0.125 20 30 CBEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972558997 613080244 /nfs/dbraw/zinc/08/02/44/613080244.db2.gz XROOGQZVMJTBEW-CQSZACIVSA-N 2 1 279.384 -0.125 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000969705600 612963624 /nfs/dbraw/zinc/96/36/24/612963624.db2.gz YABJWCAYQICDMZ-ZIAGYGMSSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000969705600 612963625 /nfs/dbraw/zinc/96/36/25/612963625.db2.gz YABJWCAYQICDMZ-ZIAGYGMSSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968302384 612963702 /nfs/dbraw/zinc/96/37/02/612963702.db2.gz NNMRETZGVCODNZ-VXGBXAGGSA-N 2 1 251.330 -0.859 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968302384 612963703 /nfs/dbraw/zinc/96/37/03/612963703.db2.gz NNMRETZGVCODNZ-VXGBXAGGSA-N 2 1 251.330 -0.859 20 30 CBEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977955023 613041531 /nfs/dbraw/zinc/04/15/31/613041531.db2.gz MIYCSRQMMOJQFV-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977955023 613041533 /nfs/dbraw/zinc/04/15/33/613041533.db2.gz MIYCSRQMMOJQFV-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955023 613041535 /nfs/dbraw/zinc/04/15/35/613041535.db2.gz MIYCSRQMMOJQFV-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955023 613041537 /nfs/dbraw/zinc/04/15/37/613041537.db2.gz MIYCSRQMMOJQFV-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000980446910 613083745 /nfs/dbraw/zinc/08/37/45/613083745.db2.gz AZWGSRMZBQBTLI-ZIAGYGMSSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000980446910 613083746 /nfs/dbraw/zinc/08/37/46/613083746.db2.gz AZWGSRMZBQBTLI-ZIAGYGMSSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980446910 613083747 /nfs/dbraw/zinc/08/37/47/613083747.db2.gz AZWGSRMZBQBTLI-ZIAGYGMSSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980446910 613083748 /nfs/dbraw/zinc/08/37/48/613083748.db2.gz AZWGSRMZBQBTLI-ZIAGYGMSSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971785099 613092740 /nfs/dbraw/zinc/09/27/40/613092740.db2.gz QYXPZDIFUGRIID-HZSPNIEDSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971785099 613092741 /nfs/dbraw/zinc/09/27/41/613092741.db2.gz QYXPZDIFUGRIID-HZSPNIEDSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971785099 613092742 /nfs/dbraw/zinc/09/27/42/613092742.db2.gz QYXPZDIFUGRIID-HZSPNIEDSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971785099 613092743 /nfs/dbraw/zinc/09/27/43/613092743.db2.gz QYXPZDIFUGRIID-HZSPNIEDSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)CC1 ZINC000980478007 613129615 /nfs/dbraw/zinc/12/96/15/613129615.db2.gz LYIHNPPQIJXOBG-HNNXBMFYSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958219792 613289649 /nfs/dbraw/zinc/28/96/49/613289649.db2.gz NWJVHSCVSJVFGE-UKRRQHHQSA-N 2 1 298.346 -0.010 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962658581 613316849 /nfs/dbraw/zinc/31/68/49/613316849.db2.gz ZARVDHFSEQNRIW-RQJABVFESA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962658581 613316851 /nfs/dbraw/zinc/31/68/51/613316851.db2.gz ZARVDHFSEQNRIW-RQJABVFESA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962658581 613316853 /nfs/dbraw/zinc/31/68/53/613316853.db2.gz ZARVDHFSEQNRIW-RQJABVFESA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962658581 613316855 /nfs/dbraw/zinc/31/68/55/613316855.db2.gz ZARVDHFSEQNRIW-RQJABVFESA-N 2 1 277.368 -0.613 20 30 CBEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893952 613551497 /nfs/dbraw/zinc/55/14/97/613551497.db2.gz RMTCQIFXGGFCCA-AWEZNQCLSA-N 2 1 279.384 -0.125 20 30 CBEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893952 613551500 /nfs/dbraw/zinc/55/15/00/613551500.db2.gz RMTCQIFXGGFCCA-AWEZNQCLSA-N 2 1 279.384 -0.125 20 30 CBEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977956484 613628507 /nfs/dbraw/zinc/62/85/07/613628507.db2.gz OPCWYZOLUJZDMK-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977956484 613628508 /nfs/dbraw/zinc/62/85/08/613628508.db2.gz OPCWYZOLUJZDMK-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977956484 613628510 /nfs/dbraw/zinc/62/85/10/613628510.db2.gz OPCWYZOLUJZDMK-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977956484 613628511 /nfs/dbraw/zinc/62/85/11/613628511.db2.gz OPCWYZOLUJZDMK-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962673385 613636914 /nfs/dbraw/zinc/63/69/14/613636914.db2.gz ZMHSMADCNAPGJC-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000962673385 613636916 /nfs/dbraw/zinc/63/69/16/613636916.db2.gz ZMHSMADCNAPGJC-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962673385 613636918 /nfs/dbraw/zinc/63/69/18/613636918.db2.gz ZMHSMADCNAPGJC-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962673385 613636920 /nfs/dbraw/zinc/63/69/20/613636920.db2.gz ZMHSMADCNAPGJC-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374007 613824219 /nfs/dbraw/zinc/82/42/19/613824219.db2.gz KVNVHBAARCHSLI-KBPBESRZSA-N 2 1 281.400 -0.077 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])N2CCCCC2)CC1 ZINC000170912789 656082940 /nfs/dbraw/zinc/08/29/40/656082940.db2.gz FCHZIIUCWUCWCY-UHFFFAOYSA-N 2 1 281.404 -0.049 20 30 CBEDMP COC[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170910914 656083132 /nfs/dbraw/zinc/08/31/32/656083132.db2.gz SQBJWEHVPFBYLA-LBPRGKRZSA-N 2 1 272.393 -0.105 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000170912772 656083194 /nfs/dbraw/zinc/08/31/94/656083194.db2.gz VKCGTPYJRNATHQ-UHFFFAOYSA-N 2 1 299.444 -0.486 20 30 CBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262255161 656129735 /nfs/dbraw/zinc/12/97/35/656129735.db2.gz DTDQHHPXURZEQA-NWDGAFQWSA-N 2 1 269.393 -0.685 20 30 CBEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NCCOC)CC1 ZINC000303388517 656138679 /nfs/dbraw/zinc/13/86/79/656138679.db2.gz XLUQAKSDTNUZQR-CYBMUJFWSA-N 2 1 285.436 -0.189 20 30 CBEDMP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000303371361 656138963 /nfs/dbraw/zinc/13/89/63/656138963.db2.gz KXKZDAZVTUCENA-KGLIPLIRSA-N 2 1 297.447 -0.047 20 30 CBEDMP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000303371365 656139084 /nfs/dbraw/zinc/13/90/84/656139084.db2.gz KXKZDAZVTUCENA-ZIAGYGMSSA-N 2 1 297.447 -0.047 20 30 CBEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)CN1CC[NH+](C)CC1 ZINC000303874417 656139296 /nfs/dbraw/zinc/13/92/96/656139296.db2.gz HEHKOHBTFLQDFJ-ZDUSSCGKSA-N 2 1 283.420 -0.483 20 30 CBEDMP COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000303977532 656140023 /nfs/dbraw/zinc/14/00/23/656140023.db2.gz LHQIPNOPWXMCNT-NSHDSACASA-N 2 1 258.366 -0.352 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304762212 656140925 /nfs/dbraw/zinc/14/09/25/656140925.db2.gz VJUQVSGJQBRBGZ-RYUDHWBXSA-N 2 1 272.393 -0.106 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895057713 656278327 /nfs/dbraw/zinc/27/83/27/656278327.db2.gz WVAHEHXCZGAGEO-UHFFFAOYSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000905579053 656362367 /nfs/dbraw/zinc/36/23/67/656362367.db2.gz HNQWRYBFIBRARJ-LBPRGKRZSA-N 2 1 255.362 -0.318 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998811058 656587133 /nfs/dbraw/zinc/58/71/33/656587133.db2.gz IMTQHXUAJQSLDI-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998811058 656587145 /nfs/dbraw/zinc/58/71/45/656587145.db2.gz IMTQHXUAJQSLDI-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998811061 656588589 /nfs/dbraw/zinc/58/85/89/656588589.db2.gz IMTQHXUAJQSLDI-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998811061 656588597 /nfs/dbraw/zinc/58/85/97/656588597.db2.gz IMTQHXUAJQSLDI-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999393772 656628659 /nfs/dbraw/zinc/62/86/59/656628659.db2.gz YGLLOGLOMCARPN-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999393772 656628662 /nfs/dbraw/zinc/62/86/62/656628662.db2.gz YGLLOGLOMCARPN-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001005519449 656902292 /nfs/dbraw/zinc/90/22/92/656902292.db2.gz UZLXMSBNGJEKFB-HNNXBMFYSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001005519449 656902303 /nfs/dbraw/zinc/90/23/03/656902303.db2.gz UZLXMSBNGJEKFB-HNNXBMFYSA-N 2 1 293.411 -0.001 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC000911859242 657148142 /nfs/dbraw/zinc/14/81/42/657148142.db2.gz GHFFIZMZGCCYAQ-UHFFFAOYSA-N 2 1 299.415 -0.090 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913171767 657393058 /nfs/dbraw/zinc/39/30/58/657393058.db2.gz QZQGVSNHUZRCDC-GFCCVEGCSA-N 2 1 255.362 -0.323 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913352202 657444689 /nfs/dbraw/zinc/44/46/89/657444689.db2.gz QZQGVSNHUZRCDC-LBPRGKRZSA-N 2 1 255.362 -0.323 20 30 CBEDMP CCN1CC[NH+](CCC(=O)NCC#CC[NH+](C)C)CC1 ZINC000913519105 657486272 /nfs/dbraw/zinc/48/62/72/657486272.db2.gz NNXDAMZKXXALGB-UHFFFAOYSA-N 2 1 280.416 -0.305 20 30 CBEDMP CN1CC[N@@H+](C)CC(C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524173 657492314 /nfs/dbraw/zinc/49/23/14/657492314.db2.gz CILOJJQBWLQUSD-UHFFFAOYSA-N 2 1 266.389 -0.839 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001018964940 657856048 /nfs/dbraw/zinc/85/60/48/657856048.db2.gz PZBGEQJDWGOFPL-KBPBESRZSA-N 2 1 289.383 -0.363 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000923550666 658318742 /nfs/dbraw/zinc/31/87/42/658318742.db2.gz FDVMHALSSYTGHH-HZSPNIEDSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000923550666 658318752 /nfs/dbraw/zinc/31/87/52/658318752.db2.gz FDVMHALSSYTGHH-HZSPNIEDSA-N 2 1 279.384 -0.081 20 30 CBEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC#CCO ZINC000923765166 658474704 /nfs/dbraw/zinc/47/47/04/658474704.db2.gz UZNAIHALOYVSLR-ZDUSSCGKSA-N 2 1 284.404 -0.447 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924978107 658684294 /nfs/dbraw/zinc/68/42/94/658684294.db2.gz VEUOMONEQIPBMI-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000928647657 659056930 /nfs/dbraw/zinc/05/69/30/659056930.db2.gz IKEVLWYNMIQJSC-DZGCQCFKSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000928655095 659060974 /nfs/dbraw/zinc/06/09/74/659060974.db2.gz RASMFQKLSSTHIS-HNNXBMFYSA-N 2 1 290.411 -0.410 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC000987188803 659495561 /nfs/dbraw/zinc/49/55/61/659495561.db2.gz BKCOMMLQDAQHMO-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989561062 659593530 /nfs/dbraw/zinc/59/35/30/659593530.db2.gz BIAKGLINYBBHSB-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989561066 659595380 /nfs/dbraw/zinc/59/53/80/659595380.db2.gz BIAKGLINYBBHSB-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121606 790991715 /nfs/dbraw/zinc/99/17/15/790991715.db2.gz GTZASFHZCATQBJ-RQJABVFESA-N 2 1 277.368 -0.280 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077572646 805751165 /nfs/dbraw/zinc/75/11/65/805751165.db2.gz GLLOLLJXEMBEOR-BYNSBNAKSA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077572646 805751169 /nfs/dbraw/zinc/75/11/69/805751169.db2.gz GLLOLLJXEMBEOR-BYNSBNAKSA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077572646 805751173 /nfs/dbraw/zinc/75/11/73/805751173.db2.gz GLLOLLJXEMBEOR-BYNSBNAKSA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077572646 805751176 /nfs/dbraw/zinc/75/11/76/805751176.db2.gz GLLOLLJXEMBEOR-BYNSBNAKSA-N 2 1 293.411 -0.099 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900260 814924984 /nfs/dbraw/zinc/92/49/84/814924984.db2.gz KVLCMZAWQPWERA-CHWSQXEVSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078005756 805818669 /nfs/dbraw/zinc/81/86/69/805818669.db2.gz HOZMPCIKDAWCDX-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078005756 805818679 /nfs/dbraw/zinc/81/86/79/805818679.db2.gz HOZMPCIKDAWCDX-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005756 805818689 /nfs/dbraw/zinc/81/86/89/805818689.db2.gz HOZMPCIKDAWCDX-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005756 805818699 /nfs/dbraw/zinc/81/86/99/805818699.db2.gz HOZMPCIKDAWCDX-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C)C[C@H]2O)CC1 ZINC001078228124 805859968 /nfs/dbraw/zinc/85/99/68/805859968.db2.gz DVSYOSXMILMFNO-HUUCEWRRSA-N 2 1 291.395 -0.321 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C)C[C@H]2O)CC1 ZINC001078228124 805859974 /nfs/dbraw/zinc/85/99/74/805859974.db2.gz DVSYOSXMILMFNO-HUUCEWRRSA-N 2 1 291.395 -0.321 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081675909 806114546 /nfs/dbraw/zinc/11/45/46/806114546.db2.gz LKSCQFLHUXGVGI-RBSFLKMASA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081675909 806114551 /nfs/dbraw/zinc/11/45/51/806114551.db2.gz LKSCQFLHUXGVGI-RBSFLKMASA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082092745 806146398 /nfs/dbraw/zinc/14/63/98/806146398.db2.gz NFSLCNNPLWJSJZ-ZIAGYGMSSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082092745 806146401 /nfs/dbraw/zinc/14/64/01/806146401.db2.gz NFSLCNNPLWJSJZ-ZIAGYGMSSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368829 806169990 /nfs/dbraw/zinc/16/99/90/806169990.db2.gz OOFHVMAQAYYUMY-JHJVBQTASA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368829 806169993 /nfs/dbraw/zinc/16/99/93/806169993.db2.gz OOFHVMAQAYYUMY-JHJVBQTASA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368829 806169998 /nfs/dbraw/zinc/16/99/98/806169998.db2.gz OOFHVMAQAYYUMY-JHJVBQTASA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368829 806170001 /nfs/dbraw/zinc/17/00/01/806170001.db2.gz OOFHVMAQAYYUMY-JHJVBQTASA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457958 806180420 /nfs/dbraw/zinc/18/04/20/806180420.db2.gz PRLHKOXZOUADNS-UPJWGTAASA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457958 806180425 /nfs/dbraw/zinc/18/04/25/806180425.db2.gz PRLHKOXZOUADNS-UPJWGTAASA-N 2 1 265.357 -0.613 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472803 806334911 /nfs/dbraw/zinc/33/49/11/806334911.db2.gz RAQBWFWTWJWDRO-LPWJVIDDSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472803 806334921 /nfs/dbraw/zinc/33/49/21/806334921.db2.gz RAQBWFWTWJWDRO-LPWJVIDDSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472803 806334930 /nfs/dbraw/zinc/33/49/30/806334930.db2.gz RAQBWFWTWJWDRO-LPWJVIDDSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472803 806334939 /nfs/dbraw/zinc/33/49/39/806334939.db2.gz RAQBWFWTWJWDRO-LPWJVIDDSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565340 806367842 /nfs/dbraw/zinc/36/78/42/806367842.db2.gz NBVVWLSMJBEEQS-YIYPIFLZSA-N 2 1 297.399 -0.557 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565340 806367851 /nfs/dbraw/zinc/36/78/51/806367851.db2.gz NBVVWLSMJBEEQS-YIYPIFLZSA-N 2 1 297.399 -0.557 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565340 806367858 /nfs/dbraw/zinc/36/78/58/806367858.db2.gz NBVVWLSMJBEEQS-YIYPIFLZSA-N 2 1 297.399 -0.557 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565340 806367866 /nfs/dbraw/zinc/36/78/66/806367866.db2.gz NBVVWLSMJBEEQS-YIYPIFLZSA-N 2 1 297.399 -0.557 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778409 806432229 /nfs/dbraw/zinc/43/22/29/806432229.db2.gz LYLGSYPRSALFTN-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778409 806432233 /nfs/dbraw/zinc/43/22/33/806432233.db2.gz LYLGSYPRSALFTN-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778409 806432237 /nfs/dbraw/zinc/43/22/37/806432237.db2.gz LYLGSYPRSALFTN-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086052758 806640843 /nfs/dbraw/zinc/64/08/43/806640843.db2.gz UKUKMBCKGNGJQQ-XQQFMLRXSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086052758 806640845 /nfs/dbraw/zinc/64/08/45/806640845.db2.gz UKUKMBCKGNGJQQ-XQQFMLRXSA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCO)CC1 ZINC001028334047 799124713 /nfs/dbraw/zinc/12/47/13/799124713.db2.gz VIBCHTMEKBNRHY-OAHLLOKOSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461579 799140758 /nfs/dbraw/zinc/14/07/58/799140758.db2.gz UZGVSBSYWHKZQZ-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461579 799140760 /nfs/dbraw/zinc/14/07/60/799140760.db2.gz UZGVSBSYWHKZQZ-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461579 799140763 /nfs/dbraw/zinc/14/07/63/799140763.db2.gz UZGVSBSYWHKZQZ-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461579 799140767 /nfs/dbraw/zinc/14/07/67/799140767.db2.gz UZGVSBSYWHKZQZ-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028994997 799183784 /nfs/dbraw/zinc/18/37/84/799183784.db2.gz FDGRIJDIDTURPC-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028994997 799183785 /nfs/dbraw/zinc/18/37/85/799183785.db2.gz FDGRIJDIDTURPC-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028994997 799183788 /nfs/dbraw/zinc/18/37/88/799183788.db2.gz FDGRIJDIDTURPC-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028994997 799183789 /nfs/dbraw/zinc/18/37/89/799183789.db2.gz FDGRIJDIDTURPC-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689323 799534120 /nfs/dbraw/zinc/53/41/20/799534120.db2.gz SPFPWSOGSHZTEW-HUUCEWRRSA-N 2 1 291.395 -0.079 20 30 CBEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689323 799534124 /nfs/dbraw/zinc/53/41/24/799534124.db2.gz SPFPWSOGSHZTEW-HUUCEWRRSA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](C)O)CC1 ZINC001039041886 801284178 /nfs/dbraw/zinc/28/41/78/801284178.db2.gz ILMBMFKRRLAETJ-DZGCQCFKSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047627661 801915159 /nfs/dbraw/zinc/91/51/59/801915159.db2.gz SWJVPLUJEDYJGZ-AGIUHOORSA-N 2 1 267.373 -0.372 20 30 CBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047627661 801915163 /nfs/dbraw/zinc/91/51/63/801915163.db2.gz SWJVPLUJEDYJGZ-AGIUHOORSA-N 2 1 267.373 -0.372 20 30 CBEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047627661 801915169 /nfs/dbraw/zinc/91/51/69/801915169.db2.gz SWJVPLUJEDYJGZ-AGIUHOORSA-N 2 1 267.373 -0.372 20 30 CBEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047627661 801915171 /nfs/dbraw/zinc/91/51/71/801915171.db2.gz SWJVPLUJEDYJGZ-AGIUHOORSA-N 2 1 267.373 -0.372 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740248 801960479 /nfs/dbraw/zinc/96/04/79/801960479.db2.gz WKZRLELTJLOOPM-HZSPNIEDSA-N 2 1 277.368 -0.660 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740248 801960483 /nfs/dbraw/zinc/96/04/83/801960483.db2.gz WKZRLELTJLOOPM-HZSPNIEDSA-N 2 1 277.368 -0.660 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740248 801960488 /nfs/dbraw/zinc/96/04/88/801960488.db2.gz WKZRLELTJLOOPM-HZSPNIEDSA-N 2 1 277.368 -0.660 20 30 CBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740248 801960493 /nfs/dbraw/zinc/96/04/93/801960493.db2.gz WKZRLELTJLOOPM-HZSPNIEDSA-N 2 1 277.368 -0.660 20 30 CBEDMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001118134424 812475284 /nfs/dbraw/zinc/47/52/84/812475284.db2.gz SPBWHKGSAZORPJ-NEPJUHHUSA-N 2 1 268.361 -0.156 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148570552 814951639 /nfs/dbraw/zinc/95/16/39/814951639.db2.gz GJKAKWUYXWFGOG-UHFFFAOYSA-N 2 1 284.404 -0.274 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321739745 803808465 /nfs/dbraw/zinc/80/84/65/803808465.db2.gz KJZOFAUPYPIACZ-OLZOCXBDSA-N 2 1 267.373 -0.318 20 30 CBEDMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001322181948 803871224 /nfs/dbraw/zinc/87/12/24/803871224.db2.gz BTGLQNXMZZYAAD-NWDGAFQWSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001322181948 803871231 /nfs/dbraw/zinc/87/12/31/803871231.db2.gz BTGLQNXMZZYAAD-NWDGAFQWSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001322243080 803878318 /nfs/dbraw/zinc/87/83/18/803878318.db2.gz BTGLQNXMZZYAAD-NEPJUHHUSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001322243080 803878327 /nfs/dbraw/zinc/87/83/27/803878327.db2.gz BTGLQNXMZZYAAD-NEPJUHHUSA-N 2 1 297.403 -0.597 20 30 CBEDMP COCC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001323349547 804013742 /nfs/dbraw/zinc/01/37/42/804013742.db2.gz AGKSBXANBOMFAQ-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCO)CC1 ZINC001323467320 804031361 /nfs/dbraw/zinc/03/13/61/804031361.db2.gz APNGXYDDXXAHNP-ZDUSSCGKSA-N 2 1 279.384 -0.295 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCO)CC1 ZINC001323467320 804031370 /nfs/dbraw/zinc/03/13/70/804031370.db2.gz APNGXYDDXXAHNP-ZDUSSCGKSA-N 2 1 279.384 -0.295 20 30 CBEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001325763415 804313690 /nfs/dbraw/zinc/31/36/90/804313690.db2.gz UDXMIWUXDMIHNB-GASCZTMLSA-N 2 1 293.411 -0.022 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447257 805369744 /nfs/dbraw/zinc/36/97/44/805369744.db2.gz KXZGAKXHPSLOJL-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447257 805369752 /nfs/dbraw/zinc/36/97/52/805369752.db2.gz KXZGAKXHPSLOJL-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447257 805369760 /nfs/dbraw/zinc/36/97/60/805369760.db2.gz KXZGAKXHPSLOJL-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447257 805369767 /nfs/dbraw/zinc/36/97/67/805369767.db2.gz KXZGAKXHPSLOJL-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073886868 805422462 /nfs/dbraw/zinc/42/24/62/805422462.db2.gz ZTKBTYCHWYRVRU-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073886868 805422466 /nfs/dbraw/zinc/42/24/66/805422466.db2.gz ZTKBTYCHWYRVRU-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886868 805422467 /nfs/dbraw/zinc/42/24/67/805422467.db2.gz ZTKBTYCHWYRVRU-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886868 805422473 /nfs/dbraw/zinc/42/24/73/805422473.db2.gz ZTKBTYCHWYRVRU-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076364682 805570917 /nfs/dbraw/zinc/57/09/17/805570917.db2.gz NKTHEVNHXIXJDF-LSDHHAIUSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076364682 805570922 /nfs/dbraw/zinc/57/09/22/805570922.db2.gz NKTHEVNHXIXJDF-LSDHHAIUSA-N 2 1 291.395 -0.125 20 30 CBEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151740692 815090844 /nfs/dbraw/zinc/09/08/44/815090844.db2.gz XCJIEINHGHGJAV-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151740692 815090852 /nfs/dbraw/zinc/09/08/52/815090852.db2.gz XCJIEINHGHGJAV-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155821867 815315710 /nfs/dbraw/zinc/31/57/10/815315710.db2.gz DKSXVTFQTZJLTM-QWHCGFSZSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091958 810241485 /nfs/dbraw/zinc/24/14/85/810241485.db2.gz UJKAAGQGXCXHER-LXTVHRRPSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086110027 810243006 /nfs/dbraw/zinc/24/30/06/810243006.db2.gz QJGUCDJWBACJPE-XQQFMLRXSA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086110027 810243009 /nfs/dbraw/zinc/24/30/09/810243009.db2.gz QJGUCDJWBACJPE-XQQFMLRXSA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086276476 810254531 /nfs/dbraw/zinc/25/45/31/810254531.db2.gz RSCMBXCYSCIDNT-HZSPNIEDSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086276476 810254537 /nfs/dbraw/zinc/25/45/37/810254537.db2.gz RSCMBXCYSCIDNT-HZSPNIEDSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086390380 810266614 /nfs/dbraw/zinc/26/66/14/810266614.db2.gz QJGUCDJWBACJPE-AVGNSLFASA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086390380 810266622 /nfs/dbraw/zinc/26/66/22/810266622.db2.gz QJGUCDJWBACJPE-AVGNSLFASA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808888 810570511 /nfs/dbraw/zinc/57/05/11/810570511.db2.gz PONXLTAKELXVPW-KBPBESRZSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808888 810570516 /nfs/dbraw/zinc/57/05/16/810570516.db2.gz PONXLTAKELXVPW-KBPBESRZSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001091076226 810589062 /nfs/dbraw/zinc/58/90/62/810589062.db2.gz SKCQZZZEPBIQRH-RUXDESIVSA-N 2 1 279.384 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001091076226 810589063 /nfs/dbraw/zinc/58/90/63/810589063.db2.gz SKCQZZZEPBIQRH-RUXDESIVSA-N 2 1 279.384 -0.439 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872140 810957096 /nfs/dbraw/zinc/95/70/96/810957096.db2.gz PJQIZECJBJZTNL-CHWSQXEVSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872140 810957101 /nfs/dbraw/zinc/95/71/01/810957101.db2.gz PJQIZECJBJZTNL-CHWSQXEVSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969955 810979868 /nfs/dbraw/zinc/97/98/68/810979868.db2.gz PBBKCYIWZIVJOL-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969955 810979874 /nfs/dbraw/zinc/97/98/74/810979874.db2.gz PBBKCYIWZIVJOL-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987469 810986600 /nfs/dbraw/zinc/98/66/00/810986600.db2.gz ZZKVPARNJZPUFZ-NWDGAFQWSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987469 810986607 /nfs/dbraw/zinc/98/66/07/810986607.db2.gz ZZKVPARNJZPUFZ-NWDGAFQWSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100063759 811006948 /nfs/dbraw/zinc/00/69/48/811006948.db2.gz CCZWGLNMKVGTOY-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100063759 811006952 /nfs/dbraw/zinc/00/69/52/811006952.db2.gz CCZWGLNMKVGTOY-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063759 811006960 /nfs/dbraw/zinc/00/69/60/811006960.db2.gz CCZWGLNMKVGTOY-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063759 811006967 /nfs/dbraw/zinc/00/69/67/811006967.db2.gz CCZWGLNMKVGTOY-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100067788 811011635 /nfs/dbraw/zinc/01/16/35/811011635.db2.gz XWGMRDZJVUBJEU-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100067788 811011639 /nfs/dbraw/zinc/01/16/39/811011639.db2.gz XWGMRDZJVUBJEU-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100067788 811011648 /nfs/dbraw/zinc/01/16/48/811011648.db2.gz XWGMRDZJVUBJEU-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073345 811015295 /nfs/dbraw/zinc/01/52/95/811015295.db2.gz CGXCCRUVOUQISH-UONOGXRCSA-N 2 1 297.399 -0.861 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131856 811025736 /nfs/dbraw/zinc/02/57/36/811025736.db2.gz JUFRPNACFMBMGP-KGLIPLIRSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131856 811025742 /nfs/dbraw/zinc/02/57/42/811025742.db2.gz JUFRPNACFMBMGP-KGLIPLIRSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131856 811025749 /nfs/dbraw/zinc/02/57/49/811025749.db2.gz JUFRPNACFMBMGP-KGLIPLIRSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319174027 817173252 /nfs/dbraw/zinc/17/32/52/817173252.db2.gz OJHJRMSVUXUJAG-RYUDHWBXSA-N 2 1 253.346 -0.708 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245345 812187020 /nfs/dbraw/zinc/18/70/20/812187020.db2.gz PNXUFUGHCZQTPF-BYNSBNAKSA-N 2 1 291.395 -0.366 20 30 CBEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001158420596 815528268 /nfs/dbraw/zinc/52/82/68/815528268.db2.gz GSKZLKATNCWJAX-VXGBXAGGSA-N 2 1 295.387 -0.938 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486182 815535214 /nfs/dbraw/zinc/53/52/14/815535214.db2.gz HJNULJBPAOCRRB-QWHCGFSZSA-N 2 1 265.357 -0.421 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507033 815536719 /nfs/dbraw/zinc/53/67/19/815536719.db2.gz OOGIYDMDMPBNFS-KBPBESRZSA-N 2 1 279.384 -0.031 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124866333 813490035 /nfs/dbraw/zinc/49/00/35/813490035.db2.gz AFXQLGLKCXUEOM-NEPJUHHUSA-N 2 1 282.388 -0.523 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125223254 813538908 /nfs/dbraw/zinc/53/89/08/813538908.db2.gz ZKJIZRXGEOTYRX-LBPRGKRZSA-N 2 1 271.361 -0.775 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125223254 813538915 /nfs/dbraw/zinc/53/89/15/813538915.db2.gz ZKJIZRXGEOTYRX-LBPRGKRZSA-N 2 1 271.361 -0.775 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685767 813741771 /nfs/dbraw/zinc/74/17/71/813741771.db2.gz SQVBDIGYVVNHCF-VXGBXAGGSA-N 2 1 282.388 -0.665 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785966 813748747 /nfs/dbraw/zinc/74/87/47/813748747.db2.gz SACAQAOXOHERHK-UONOGXRCSA-N 2 1 297.399 -0.242 20 30 CBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128774896 813797502 /nfs/dbraw/zinc/79/75/02/813797502.db2.gz YGMAWTDTYHXANY-GFCCVEGCSA-N 2 1 295.387 -0.794 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129381175 813840057 /nfs/dbraw/zinc/84/00/57/813840057.db2.gz QAKNGISYUHEVIE-LBPRGKRZSA-N 2 1 265.361 -0.295 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC[C@H](C)O ZINC001129770904 813862975 /nfs/dbraw/zinc/86/29/75/813862975.db2.gz NFECLVBLLYXJEM-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC[C@H](C)O ZINC001129770904 813862984 /nfs/dbraw/zinc/86/29/84/813862984.db2.gz NFECLVBLLYXJEM-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001129771268 813863090 /nfs/dbraw/zinc/86/30/90/813863090.db2.gz UMZZWDUFGYCVNZ-STQMWFEESA-N 2 1 292.383 -0.980 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001129771268 813863099 /nfs/dbraw/zinc/86/30/99/813863099.db2.gz UMZZWDUFGYCVNZ-STQMWFEESA-N 2 1 292.383 -0.980 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001129771076 813865151 /nfs/dbraw/zinc/86/51/51/813865151.db2.gz QFNAPODYHSPEGC-ZDUSSCGKSA-N 2 1 290.371 -0.919 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001129771076 813865159 /nfs/dbraw/zinc/86/51/59/813865159.db2.gz QFNAPODYHSPEGC-ZDUSSCGKSA-N 2 1 290.371 -0.919 20 30 CBEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129849727 813869947 /nfs/dbraw/zinc/86/99/47/813869947.db2.gz RZEYOWWJQBTPQR-LBPRGKRZSA-N 2 1 295.387 -0.794 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130303555 813924761 /nfs/dbraw/zinc/92/47/61/813924761.db2.gz DCOFVLAMFGGJIT-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130303557 813925009 /nfs/dbraw/zinc/92/50/09/813925009.db2.gz DCOFVLAMFGGJIT-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520231 814037197 /nfs/dbraw/zinc/03/71/97/814037197.db2.gz VMXJQMBNLBMZNS-OWYJLGKBSA-N 2 1 277.368 -0.421 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522249 814037367 /nfs/dbraw/zinc/03/73/67/814037367.db2.gz YTWBQRRQPJDPSB-OWYJLGKBSA-N 2 1 277.368 -0.421 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525732 814038504 /nfs/dbraw/zinc/03/85/04/814038504.db2.gz IINYWRQVXFOBJQ-LXVYMNJGSA-N 2 1 263.341 -0.811 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133868107 814316277 /nfs/dbraw/zinc/31/62/77/814316277.db2.gz ZEZQXTRTOIUXNU-NEPJUHHUSA-N 2 1 282.388 -0.808 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146719306 814845907 /nfs/dbraw/zinc/84/59/07/814845907.db2.gz PKZQMAFENCASMM-UHFFFAOYSA-N 2 1 270.377 -0.664 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147876951 814920944 /nfs/dbraw/zinc/92/09/44/814920944.db2.gz AELUGJOJNVFQQY-LBPRGKRZSA-N 2 1 282.388 -0.664 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857052 815680806 /nfs/dbraw/zinc/68/08/06/815680806.db2.gz CNBBQMBDRFOCQA-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857052 815680811 /nfs/dbraw/zinc/68/08/11/815680811.db2.gz CNBBQMBDRFOCQA-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP N#C[C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160877833 815684426 /nfs/dbraw/zinc/68/44/26/815684426.db2.gz DJDALWJWQVKIRP-LLVKDONJSA-N 2 1 252.318 -0.921 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161032010 815701910 /nfs/dbraw/zinc/70/19/10/815701910.db2.gz ACZBFAOGRRBXSZ-ZDUSSCGKSA-N 2 1 296.415 -0.131 20 30 CBEDMP N#C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161139145 815720705 /nfs/dbraw/zinc/72/07/05/815720705.db2.gz MBZKJASWOIOHEJ-ONGXEEELSA-N 2 1 254.309 -0.209 20 30 CBEDMP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001161536321 815767702 /nfs/dbraw/zinc/76/77/02/815767702.db2.gz CAQSIDBORXSYFM-QWRGUYRKSA-N 2 1 284.360 -0.434 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC001293590686 816521378 /nfs/dbraw/zinc/52/13/78/816521378.db2.gz WGSNTNBNGXUWJS-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316990362 816917346 /nfs/dbraw/zinc/91/73/46/816917346.db2.gz MSEPMSMLTDESLB-AWEZNQCLSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316990362 816917351 /nfs/dbraw/zinc/91/73/51/816917351.db2.gz MSEPMSMLTDESLB-AWEZNQCLSA-N 2 1 279.384 -0.078 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317281595 816957761 /nfs/dbraw/zinc/95/77/61/816957761.db2.gz DSDJVSSYYDDUJZ-QWHCGFSZSA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319174027 817173244 /nfs/dbraw/zinc/17/32/44/817173244.db2.gz OJHJRMSVUXUJAG-RYUDHWBXSA-N 2 1 253.346 -0.708 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001320227661 817298978 /nfs/dbraw/zinc/29/89/78/817298978.db2.gz SQTUBUDYXKQYQW-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170211076 820280215 /nfs/dbraw/zinc/28/02/15/820280215.db2.gz IGAZCMWFHKHIMC-UHFFFAOYSA-N 2 1 282.388 -0.827 20 30 CBEDMP N#C[C@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)C(N)=O ZINC001170535964 820300836 /nfs/dbraw/zinc/30/08/36/820300836.db2.gz LHJAPCZSZWZVKO-JTQLQIEISA-N 2 1 270.296 -0.190 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171215414 820352214 /nfs/dbraw/zinc/35/22/14/820352214.db2.gz CFCZXGOFRBMAMD-ZDUSSCGKSA-N 2 1 296.415 -0.274 20 30 CBEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171758239 820370032 /nfs/dbraw/zinc/37/00/32/820370032.db2.gz USWVQSSXDPNVBK-UHFFFAOYSA-N 2 1 283.376 -0.936 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171769626 820370218 /nfs/dbraw/zinc/37/02/18/820370218.db2.gz AWQPRNJSEJCUHG-ZDUSSCGKSA-N 2 1 296.415 -0.438 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176096487 820439749 /nfs/dbraw/zinc/43/97/49/820439749.db2.gz SDWWFMYLMQTBHD-OLZOCXBDSA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636040 820454590 /nfs/dbraw/zinc/45/45/90/820454590.db2.gz KCJHYQLEZPPPFB-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176635311 820453603 /nfs/dbraw/zinc/45/36/03/820453603.db2.gz AMTTXJCQKBSVJC-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176635311 820453606 /nfs/dbraw/zinc/45/36/06/820453606.db2.gz AMTTXJCQKBSVJC-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636040 820454587 /nfs/dbraw/zinc/45/45/87/820454587.db2.gz KCJHYQLEZPPPFB-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181653287 820808222 /nfs/dbraw/zinc/80/82/22/820808222.db2.gz WOMKPGYNNJTFBC-OLZOCXBDSA-N 2 1 292.383 -0.980 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001279710773 828335779 /nfs/dbraw/zinc/33/57/79/828335779.db2.gz CRQYZNHYTFHRNJ-AWEZNQCLSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001279999622 828342980 /nfs/dbraw/zinc/34/29/80/828342980.db2.gz OEBSPRBMQKFQCO-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001279999622 828342990 /nfs/dbraw/zinc/34/29/90/828342990.db2.gz OEBSPRBMQKFQCO-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001279999624 828343266 /nfs/dbraw/zinc/34/32/66/828343266.db2.gz OEBSPRBMQKFQCO-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001279999624 828343273 /nfs/dbraw/zinc/34/32/73/828343273.db2.gz OEBSPRBMQKFQCO-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001280668378 828370854 /nfs/dbraw/zinc/37/08/54/828370854.db2.gz LWHBJALNBUYKLP-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001281161924 828406150 /nfs/dbraw/zinc/40/61/50/828406150.db2.gz AXZFCFXDFJJIBT-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001282448680 828447294 /nfs/dbraw/zinc/44/72/94/828447294.db2.gz GETFHAIJXBQNMQ-LBPRGKRZSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001282448680 828447301 /nfs/dbraw/zinc/44/73/01/828447301.db2.gz GETFHAIJXBQNMQ-LBPRGKRZSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282368589 828442541 /nfs/dbraw/zinc/44/25/41/828442541.db2.gz XJRLKCZVRZZNRV-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282368589 828442544 /nfs/dbraw/zinc/44/25/44/828442544.db2.gz XJRLKCZVRZZNRV-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001282368589 828442545 /nfs/dbraw/zinc/44/25/45/828442545.db2.gz XJRLKCZVRZZNRV-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001282368589 828442546 /nfs/dbraw/zinc/44/25/46/828442546.db2.gz XJRLKCZVRZZNRV-QWHCGFSZSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001284456048 828598809 /nfs/dbraw/zinc/59/88/09/828598809.db2.gz IRKAKQAGKIMMDX-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284467253 828599928 /nfs/dbraw/zinc/59/99/28/828599928.db2.gz HZFYHZJLVBQCDC-KBPBESRZSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284467253 828599931 /nfs/dbraw/zinc/59/99/31/828599931.db2.gz HZFYHZJLVBQCDC-KBPBESRZSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193757325 824044748 /nfs/dbraw/zinc/04/47/48/824044748.db2.gz ZDRJMBJECNWFOM-UPJWGTAASA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193757325 824044752 /nfs/dbraw/zinc/04/47/52/824044752.db2.gz ZDRJMBJECNWFOM-UPJWGTAASA-N 2 1 267.373 -0.326 20 30 CBEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncc1C ZINC001284505849 828605332 /nfs/dbraw/zinc/60/53/32/828605332.db2.gz OYPXKWVCLNFMFG-AWEZNQCLSA-N 2 1 292.383 -0.034 20 30 CBEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001284505849 828605335 /nfs/dbraw/zinc/60/53/35/828605335.db2.gz OYPXKWVCLNFMFG-AWEZNQCLSA-N 2 1 292.383 -0.034 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195654152 824127258 /nfs/dbraw/zinc/12/72/58/824127258.db2.gz NGUHPSPVJYNUAS-VXGBXAGGSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195654152 824127260 /nfs/dbraw/zinc/12/72/60/824127260.db2.gz NGUHPSPVJYNUAS-VXGBXAGGSA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817671 824203471 /nfs/dbraw/zinc/20/34/71/824203471.db2.gz PGKVVOJUDCIYKG-UHFFFAOYSA-N 2 1 267.373 -0.268 20 30 CBEDMP C#CC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817671 824203478 /nfs/dbraw/zinc/20/34/78/824203478.db2.gz PGKVVOJUDCIYKG-UHFFFAOYSA-N 2 1 267.373 -0.268 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198048075 824217650 /nfs/dbraw/zinc/21/76/50/824217650.db2.gz SDEJJTHTLQNXFP-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198048075 824217655 /nfs/dbraw/zinc/21/76/55/824217655.db2.gz SDEJJTHTLQNXFP-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198048075 824217660 /nfs/dbraw/zinc/21/76/60/824217660.db2.gz SDEJJTHTLQNXFP-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198048075 824217666 /nfs/dbraw/zinc/21/76/66/824217666.db2.gz SDEJJTHTLQNXFP-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198655055 824236442 /nfs/dbraw/zinc/23/64/42/824236442.db2.gz YUKWMSXTFBDZLB-MGPQQGTHSA-N 2 1 297.399 -0.698 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198655055 824236450 /nfs/dbraw/zinc/23/64/50/824236450.db2.gz YUKWMSXTFBDZLB-MGPQQGTHSA-N 2 1 297.399 -0.698 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198655055 824236456 /nfs/dbraw/zinc/23/64/56/824236456.db2.gz YUKWMSXTFBDZLB-MGPQQGTHSA-N 2 1 297.399 -0.698 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071521 824248429 /nfs/dbraw/zinc/24/84/29/824248429.db2.gz YEDGTPBHWWLKSX-ZIAGYGMSSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071521 824248436 /nfs/dbraw/zinc/24/84/36/824248436.db2.gz YEDGTPBHWWLKSX-ZIAGYGMSSA-N 2 1 279.384 -0.343 20 30 CBEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200181524 824311481 /nfs/dbraw/zinc/31/14/81/824311481.db2.gz JJTPAYQMSOAHHH-ZIAGYGMSSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200181524 824311486 /nfs/dbraw/zinc/31/14/86/824311486.db2.gz JJTPAYQMSOAHHH-ZIAGYGMSSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200181513 824311808 /nfs/dbraw/zinc/31/18/08/824311808.db2.gz JJTPAYQMSOAHHH-KBPBESRZSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200181513 824311813 /nfs/dbraw/zinc/31/18/13/824311813.db2.gz JJTPAYQMSOAHHH-KBPBESRZSA-N 2 1 297.399 -0.290 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057238 824341701 /nfs/dbraw/zinc/34/17/01/824341701.db2.gz FUHCLOYZYYVFCX-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671836 824514953 /nfs/dbraw/zinc/51/49/53/824514953.db2.gz SZSKCXRWBZZKGE-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671836 824514958 /nfs/dbraw/zinc/51/49/58/824514958.db2.gz SZSKCXRWBZZKGE-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671836 824514961 /nfs/dbraw/zinc/51/49/61/824514961.db2.gz SZSKCXRWBZZKGE-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671836 824514966 /nfs/dbraw/zinc/51/49/66/824514966.db2.gz SZSKCXRWBZZKGE-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218966918 824651067 /nfs/dbraw/zinc/65/10/67/824651067.db2.gz YYAMBXMCQLWNPA-JTQLQIEISA-N 2 1 265.317 -0.122 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230687 824990345 /nfs/dbraw/zinc/99/03/45/824990345.db2.gz OKARLFJCVCFRGA-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230687 824990354 /nfs/dbraw/zinc/99/03/54/824990354.db2.gz OKARLFJCVCFRGA-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642894 825081158 /nfs/dbraw/zinc/08/11/58/825081158.db2.gz NGXFTQFSXVHUNS-KGLIPLIRSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642894 825081166 /nfs/dbraw/zinc/08/11/66/825081166.db2.gz NGXFTQFSXVHUNS-KGLIPLIRSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768379 825099052 /nfs/dbraw/zinc/09/90/52/825099052.db2.gz JFPRDRDJXPFXNO-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220868093 825115604 /nfs/dbraw/zinc/11/56/04/825115604.db2.gz AUFUTFQGHZKBEN-STQMWFEESA-N 3 1 278.400 -0.438 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221068064 825140983 /nfs/dbraw/zinc/14/09/83/825140983.db2.gz HNSYRHKVNITZNC-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221068064 825140989 /nfs/dbraw/zinc/14/09/89/825140989.db2.gz HNSYRHKVNITZNC-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP COCC[N@@H+](C)CCNC(=O)NCC#CC[NH+](C)C ZINC001221689211 825192335 /nfs/dbraw/zinc/19/23/35/825192335.db2.gz FQPHIWCHKBHCPF-UHFFFAOYSA-N 2 1 270.377 -0.571 20 30 CBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228991996 825327065 /nfs/dbraw/zinc/32/70/65/825327065.db2.gz LGBZAIFWWQZFON-UHFFFAOYSA-N 2 1 294.399 -0.732 20 30 CBEDMP C=CC[NH2+]CCN1C[C@H]2C[C@H](C(=O)OCC)[NH2+][C@H]2C1 ZINC001235273908 825490758 /nfs/dbraw/zinc/49/07/58/825490758.db2.gz YLKRKUWKYZNDCB-UPJWGTAASA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CCN1CC[N@@H+](C)C2(CCN(CC[NH3+])CC2)C1=O ZINC001235593511 825506372 /nfs/dbraw/zinc/50/63/72/825506372.db2.gz MLZIDSAOYABQQC-UHFFFAOYSA-N 2 1 266.389 -0.260 20 30 CBEDMP C=CCN1CC[N@H+](C)C2(CCN(CC[NH3+])CC2)C1=O ZINC001235593511 825506375 /nfs/dbraw/zinc/50/63/75/825506375.db2.gz MLZIDSAOYABQQC-UHFFFAOYSA-N 2 1 266.389 -0.260 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246021520 825624585 /nfs/dbraw/zinc/62/45/85/825624585.db2.gz NQXNXTFPFADLBW-OLZOCXBDSA-N 2 1 256.346 -0.827 20 30 CBEDMP C=CCOC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032465 825627226 /nfs/dbraw/zinc/62/72/26/825627226.db2.gz SZZDNZRJSBYTHP-ZDUSSCGKSA-N 2 1 269.389 -0.423 20 30 CBEDMP N#C[C@@H]1C[C@H](NCCC[NH2+]CCCC[NH3+])CCN1 ZINC001246456123 825674750 /nfs/dbraw/zinc/67/47/50/825674750.db2.gz HVHBJYZFVIWVRO-OLZOCXBDSA-N 2 1 253.394 -0.061 20 30 CBEDMP N#C[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246555038 825684533 /nfs/dbraw/zinc/68/45/33/825684533.db2.gz ARFGNMCIUOKEGP-XQQFMLRXSA-N 2 1 252.362 -0.194 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001251707746 825786254 /nfs/dbraw/zinc/78/62/54/825786254.db2.gz FEBSKFUIOVMPRI-CQSZACIVSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001251851698 825795403 /nfs/dbraw/zinc/79/54/03/825795403.db2.gz QHVJXNHWLUAGLP-CQSZACIVSA-N 2 1 297.399 -0.907 20 30 CBEDMP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC001251896093 825804242 /nfs/dbraw/zinc/80/42/42/825804242.db2.gz AQIGGXLYZDHPKF-CQSZACIVSA-N 2 1 270.373 -0.303 20 30 CBEDMP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001263305689 826762652 /nfs/dbraw/zinc/76/26/52/826762652.db2.gz DPAFFCGYZZRQTG-DZGCQCFKSA-N 2 1 292.427 -0.260 20 30 CBEDMP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(C)CCN1C ZINC001263305689 826762655 /nfs/dbraw/zinc/76/26/55/826762655.db2.gz DPAFFCGYZZRQTG-DZGCQCFKSA-N 2 1 292.427 -0.260 20 30 CBEDMP CC#CC[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001265262873 826864222 /nfs/dbraw/zinc/86/42/22/826864222.db2.gz LGSMKSXQEOCJSC-UHFFFAOYSA-N 2 1 280.416 -0.305 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001265840789 826928022 /nfs/dbraw/zinc/92/80/22/826928022.db2.gz BKSSSOIOKCSZCG-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266437641 827000223 /nfs/dbraw/zinc/00/02/23/827000223.db2.gz HKWHPSQNSCQBBN-CYBMUJFWSA-N 2 1 294.399 -0.874 20 30 CBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266437641 827000229 /nfs/dbraw/zinc/00/02/29/827000229.db2.gz HKWHPSQNSCQBBN-CYBMUJFWSA-N 2 1 294.399 -0.874 20 30 CBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266437641 827000240 /nfs/dbraw/zinc/00/02/40/827000240.db2.gz HKWHPSQNSCQBBN-CYBMUJFWSA-N 2 1 294.399 -0.874 20 30 CBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266437641 827000254 /nfs/dbraw/zinc/00/02/54/827000254.db2.gz HKWHPSQNSCQBBN-CYBMUJFWSA-N 2 1 294.399 -0.874 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001266744907 827059768 /nfs/dbraw/zinc/05/97/68/827059768.db2.gz XBPKYMCRNSEIKK-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001266928200 827086594 /nfs/dbraw/zinc/08/65/94/827086594.db2.gz QBJFDSZJCBCTPY-NEPJUHHUSA-N 2 1 282.388 -0.523 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266963290 827098167 /nfs/dbraw/zinc/09/81/67/827098167.db2.gz CPYRJIRHTHLXSR-STQMWFEESA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)C(C)C ZINC001268212787 827262481 /nfs/dbraw/zinc/26/24/81/827262481.db2.gz NDEDGJBLFISZDJ-KBPBESRZSA-N 2 1 281.400 -0.193 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)C(C)C ZINC001268212787 827262491 /nfs/dbraw/zinc/26/24/91/827262491.db2.gz NDEDGJBLFISZDJ-KBPBESRZSA-N 2 1 281.400 -0.193 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001268334684 827307936 /nfs/dbraw/zinc/30/79/36/827307936.db2.gz LGTFSHPTVJXJEI-LBPRGKRZSA-N 2 1 255.362 -0.583 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001268334682 827308008 /nfs/dbraw/zinc/30/80/08/827308008.db2.gz LGTFSHPTVJXJEI-GFCCVEGCSA-N 2 1 255.362 -0.583 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272455740 827800963 /nfs/dbraw/zinc/80/09/63/827800963.db2.gz VNYMZGAYYYGFRK-NEPJUHHUSA-N 2 1 255.362 -0.277 20 30 CBEDMP C=C[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273880973 827936692 /nfs/dbraw/zinc/93/66/92/827936692.db2.gz ILCBWOQDUWPWME-GFCCVEGCSA-N 2 1 283.372 -0.992 20 30 CBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001273929448 827942538 /nfs/dbraw/zinc/94/25/38/827942538.db2.gz KMBZTXUJGTWPLO-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001275622723 828104220 /nfs/dbraw/zinc/10/42/20/828104220.db2.gz RJEGXMSNGXKQIA-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001275622723 828104228 /nfs/dbraw/zinc/10/42/28/828104228.db2.gz RJEGXMSNGXKQIA-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275622723 828104232 /nfs/dbraw/zinc/10/42/32/828104232.db2.gz RJEGXMSNGXKQIA-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275622723 828104235 /nfs/dbraw/zinc/10/42/35/828104235.db2.gz RJEGXMSNGXKQIA-QWHCGFSZSA-N 2 1 296.415 -0.181 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001275639230 828105711 /nfs/dbraw/zinc/10/57/11/828105711.db2.gz UDLNXVHIIBXWAW-QWHCGFSZSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001275639230 828105715 /nfs/dbraw/zinc/10/57/15/828105715.db2.gz UDLNXVHIIBXWAW-QWHCGFSZSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001275639231 828105909 /nfs/dbraw/zinc/10/59/09/828105909.db2.gz UDLNXVHIIBXWAW-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001275639231 828105911 /nfs/dbraw/zinc/10/59/11/828105911.db2.gz UDLNXVHIIBXWAW-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001277542567 828194452 /nfs/dbraw/zinc/19/44/52/828194452.db2.gz VIMIATJTBMRJKV-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001277542567 828194455 /nfs/dbraw/zinc/19/44/55/828194455.db2.gz VIMIATJTBMRJKV-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001277542567 828194457 /nfs/dbraw/zinc/19/44/57/828194457.db2.gz VIMIATJTBMRJKV-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001277542567 828194459 /nfs/dbraw/zinc/19/44/59/828194459.db2.gz VIMIATJTBMRJKV-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277629163 828198937 /nfs/dbraw/zinc/19/89/37/828198937.db2.gz FVDMMGDNRFMMKO-KBPBESRZSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277629163 828198939 /nfs/dbraw/zinc/19/89/39/828198939.db2.gz FVDMMGDNRFMMKO-KBPBESRZSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278017888 828231161 /nfs/dbraw/zinc/23/11/61/828231161.db2.gz QVRMEJDAPVOVQF-OLZOCXBDSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278017889 828231416 /nfs/dbraw/zinc/23/14/16/828231416.db2.gz QVRMEJDAPVOVQF-QWHCGFSZSA-N 2 1 294.399 -0.876 20 30 CBEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278821685 884819854 /nfs/dbraw/zinc/81/98/54/884819854.db2.gz MHFWSPQKAKBCAL-OCCSQVGLSA-N 2 1 267.373 -0.323 20 30 CBEDMP C[N@H+](C[C@@H](O)C[NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC001329143432 885948681 /nfs/dbraw/zinc/94/86/81/885948681.db2.gz UXCDMNKTUJVNMS-NSHDSACASA-N 2 1 264.333 -0.806 20 30 CBEDMP C[N@@H+](C[C@@H](O)C[NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC001329143432 885948686 /nfs/dbraw/zinc/94/86/86/885948686.db2.gz UXCDMNKTUJVNMS-NSHDSACASA-N 2 1 264.333 -0.806 20 30 CBEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001330583273 886488073 /nfs/dbraw/zinc/48/80/73/886488073.db2.gz JVBMWSWGBMDVEG-AVGNSLFASA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001330583273 886488079 /nfs/dbraw/zinc/48/80/79/886488079.db2.gz JVBMWSWGBMDVEG-AVGNSLFASA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(N)=O ZINC001330835314 886589234 /nfs/dbraw/zinc/58/92/34/886589234.db2.gz JXCFVLYIVVUTOW-STQMWFEESA-N 2 1 294.399 -0.556 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(N)=O ZINC001330835314 886589244 /nfs/dbraw/zinc/58/92/44/886589244.db2.gz JXCFVLYIVVUTOW-STQMWFEESA-N 2 1 294.399 -0.556 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001332522065 887336894 /nfs/dbraw/zinc/33/68/94/887336894.db2.gz MLUMXSLZPIBWLE-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001334933645 888365746 /nfs/dbraw/zinc/36/57/46/888365746.db2.gz KTENNFKJMIRTBF-HNNXBMFYSA-N 2 1 290.411 -0.458 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001334933645 888365761 /nfs/dbraw/zinc/36/57/61/888365761.db2.gz KTENNFKJMIRTBF-HNNXBMFYSA-N 2 1 290.411 -0.458 20 30 CBEDMP CN(CCC#N)C[C@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC001335407227 888527138 /nfs/dbraw/zinc/52/71/38/888527138.db2.gz JQQOQMDPOPXWLQ-CYBMUJFWSA-N 2 1 265.361 -0.241 20 30 CBEDMP C#CCOCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC001336775690 888874945 /nfs/dbraw/zinc/87/49/45/888874945.db2.gz ONLROLBIWRZZJK-UHFFFAOYSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCOCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC001336775690 888874959 /nfs/dbraw/zinc/87/49/59/888874959.db2.gz ONLROLBIWRZZJK-UHFFFAOYSA-N 2 1 267.373 -0.222 20 30 CBEDMP C=C[C@H](CO)[NH2+]CC1(C[NH2+][C@H](C=C)CO)COC1 ZINC001347144963 890416281 /nfs/dbraw/zinc/41/62/81/890416281.db2.gz FXVIMTYYRMXVGO-VXGBXAGGSA-N 2 1 256.346 -0.724 20 30 CBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379281741 898534293 /nfs/dbraw/zinc/53/42/93/898534293.db2.gz FGNVYBXOETUJMP-MNOVXSKESA-N 2 1 275.780 -0.243 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001505434728 921425373 /nfs/dbraw/zinc/42/53/73/921425373.db2.gz XTEIGPBYQGQKGT-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001505434728 921425382 /nfs/dbraw/zinc/42/53/82/921425382.db2.gz XTEIGPBYQGQKGT-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCO ZINC001505434728 921425389 /nfs/dbraw/zinc/42/53/89/921425389.db2.gz XTEIGPBYQGQKGT-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCO ZINC001505434728 921425400 /nfs/dbraw/zinc/42/54/00/921425400.db2.gz XTEIGPBYQGQKGT-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001506818562 921619870 /nfs/dbraw/zinc/61/98/70/921619870.db2.gz FPMSOVUAQWWEQQ-QKDCVEJESA-N 2 1 291.395 -0.364 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001506818562 921619877 /nfs/dbraw/zinc/61/98/77/921619877.db2.gz FPMSOVUAQWWEQQ-QKDCVEJESA-N 2 1 291.395 -0.364 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001464847230 915015019 /nfs/dbraw/zinc/01/50/19/915015019.db2.gz VDTTWYOFSMZYAZ-UHFFFAOYSA-N 2 1 296.415 -0.227 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)NCC[NH+]1CCSCC1 ZINC001468719706 915323543 /nfs/dbraw/zinc/32/35/43/915323543.db2.gz MGOUULRWUDFTRO-UHFFFAOYSA-N 2 1 284.429 -0.101 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507232237 921764221 /nfs/dbraw/zinc/76/42/21/921764221.db2.gz KJAKPHYEKGFTPV-OLZOCXBDSA-N 2 1 267.373 -0.582 20 30 CBEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)C1 ZINC001471630142 915604349 /nfs/dbraw/zinc/60/43/49/915604349.db2.gz LIQGCAPSKZTLIU-KBPBESRZSA-N 2 1 296.415 -0.352 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507262118 921791956 /nfs/dbraw/zinc/79/19/56/921791956.db2.gz VOTQWPGNRHJKGO-WDEREUQCSA-N 2 1 275.780 -0.243 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001507262118 921791971 /nfs/dbraw/zinc/79/19/71/921791971.db2.gz VOTQWPGNRHJKGO-WDEREUQCSA-N 2 1 275.780 -0.243 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480174033 916317619 /nfs/dbraw/zinc/31/76/19/916317619.db2.gz QCRXCUYZZNMPFH-JOCQHMNTSA-N 2 1 294.399 -0.687 20 30 CBEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480636652 916506532 /nfs/dbraw/zinc/50/65/32/916506532.db2.gz FBJLRLUFSLCWKG-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480636652 916506539 /nfs/dbraw/zinc/50/65/39/916506539.db2.gz FBJLRLUFSLCWKG-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001480811272 916548511 /nfs/dbraw/zinc/54/85/11/916548511.db2.gz PPCJLFBGHGOEFD-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001480811272 916548518 /nfs/dbraw/zinc/54/85/18/916548518.db2.gz PPCJLFBGHGOEFD-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001480811271 916548907 /nfs/dbraw/zinc/54/89/07/916548907.db2.gz PPCJLFBGHGOEFD-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001480811271 916548924 /nfs/dbraw/zinc/54/89/24/916548924.db2.gz PPCJLFBGHGOEFD-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481874210 917012928 /nfs/dbraw/zinc/01/29/28/917012928.db2.gz FSUIZYNTJYXGMJ-OLZOCXBDSA-N 2 1 294.399 -0.828 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482087311 917047576 /nfs/dbraw/zinc/04/75/76/917047576.db2.gz LHUFDJNNWHORNO-KGLIPLIRSA-N 2 1 297.399 -0.691 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482087311 917047588 /nfs/dbraw/zinc/04/75/88/917047588.db2.gz LHUFDJNNWHORNO-KGLIPLIRSA-N 2 1 297.399 -0.691 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482796800 917288152 /nfs/dbraw/zinc/28/81/52/917288152.db2.gz DQBKGNIYRPYEMQ-QWHCGFSZSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482796800 917288164 /nfs/dbraw/zinc/28/81/64/917288164.db2.gz DQBKGNIYRPYEMQ-QWHCGFSZSA-N 2 1 285.388 -0.650 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246716 917786241 /nfs/dbraw/zinc/78/62/41/917786241.db2.gz NYXOQZBBFJYGLR-INIZCTEOSA-N 2 1 291.395 -0.342 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484252890 917790852 /nfs/dbraw/zinc/79/08/52/917790852.db2.gz XYIUTLLUJLOZQC-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484252890 917790856 /nfs/dbraw/zinc/79/08/56/917790856.db2.gz XYIUTLLUJLOZQC-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484252890 917790867 /nfs/dbraw/zinc/79/08/67/917790867.db2.gz XYIUTLLUJLOZQC-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)NCC#N ZINC001485346577 918087236 /nfs/dbraw/zinc/08/72/36/918087236.db2.gz WMGINIXDHUFQNE-LLVKDONJSA-N 2 1 283.376 -0.986 20 30 CBEDMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)NCC#N ZINC001485346577 918087253 /nfs/dbraw/zinc/08/72/53/918087253.db2.gz WMGINIXDHUFQNE-LLVKDONJSA-N 2 1 283.376 -0.986 20 30 CBEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485981784 918270101 /nfs/dbraw/zinc/27/01/01/918270101.db2.gz FLABSKVDNJARJE-OLZOCXBDSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485981784 918270123 /nfs/dbraw/zinc/27/01/23/918270123.db2.gz FLABSKVDNJARJE-OLZOCXBDSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485981786 918273182 /nfs/dbraw/zinc/27/31/82/918273182.db2.gz FLABSKVDNJARJE-STQMWFEESA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485981786 918273198 /nfs/dbraw/zinc/27/31/98/918273198.db2.gz FLABSKVDNJARJE-STQMWFEESA-N 2 1 285.388 -0.650 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485979431 918273343 /nfs/dbraw/zinc/27/33/43/918273343.db2.gz JHMIRJRLKWATTA-MNOVXSKESA-N 2 1 275.780 -0.100 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485979431 918273357 /nfs/dbraw/zinc/27/33/57/918273357.db2.gz JHMIRJRLKWATTA-MNOVXSKESA-N 2 1 275.780 -0.100 20 30 CBEDMP C=CCC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001486034819 918326038 /nfs/dbraw/zinc/32/60/38/918326038.db2.gz VHMGPHZXURZDTK-OLZOCXBDSA-N 2 1 269.389 -0.029 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001486032394 918328769 /nfs/dbraw/zinc/32/87/69/918328769.db2.gz ALFQWGJEKNABNN-OLZOCXBDSA-N 2 1 290.367 -0.546 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053361 918351373 /nfs/dbraw/zinc/35/13/73/918351373.db2.gz ZMMYPMQMQGPIML-CHWSQXEVSA-N 2 1 267.373 -0.582 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)CCC ZINC001486313694 918423596 /nfs/dbraw/zinc/42/35/96/918423596.db2.gz FJVBWZYWSRCZOU-CYBMUJFWSA-N 2 1 269.389 -0.240 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001486318434 918424038 /nfs/dbraw/zinc/42/40/38/918424038.db2.gz SMYSKRKGNOZCSW-CQSZACIVSA-N 2 1 299.415 -0.615 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559323 918937999 /nfs/dbraw/zinc/93/79/99/918937999.db2.gz XOBYZGIAIJTASN-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559323 918938013 /nfs/dbraw/zinc/93/80/13/918938013.db2.gz XOBYZGIAIJTASN-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCO ZINC001497600658 920349726 /nfs/dbraw/zinc/34/97/26/920349726.db2.gz LKOUQCGUGNRDJX-OOPCZODUSA-N 2 1 265.357 -0.662 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCO ZINC001497600658 920349740 /nfs/dbraw/zinc/34/97/40/920349740.db2.gz LKOUQCGUGNRDJX-OOPCZODUSA-N 2 1 265.357 -0.662 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001498021694 920445409 /nfs/dbraw/zinc/44/54/09/920445409.db2.gz JFILRGJOKLKCOS-NWDGAFQWSA-N 2 1 282.388 -0.523 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001498054601 920461712 /nfs/dbraw/zinc/46/17/12/920461712.db2.gz ADPSPIZNXKFOMM-XQQFMLRXSA-N 2 1 292.383 -0.933 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001498054601 920461724 /nfs/dbraw/zinc/46/17/24/920461724.db2.gz ADPSPIZNXKFOMM-XQQFMLRXSA-N 2 1 292.383 -0.933 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498448965 920590248 /nfs/dbraw/zinc/59/02/48/920590248.db2.gz AQMAEFYLLGYSMN-CHWSQXEVSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498448965 920590260 /nfs/dbraw/zinc/59/02/60/920590260.db2.gz AQMAEFYLLGYSMN-CHWSQXEVSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498448965 920590274 /nfs/dbraw/zinc/59/02/74/920590274.db2.gz AQMAEFYLLGYSMN-CHWSQXEVSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498448965 920590286 /nfs/dbraw/zinc/59/02/86/920590286.db2.gz AQMAEFYLLGYSMN-CHWSQXEVSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001500695391 920863891 /nfs/dbraw/zinc/86/38/91/920863891.db2.gz KXZPUQWUMPEQCS-OAHLLOKOSA-N 2 1 291.395 -0.199 20 30 CBEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500762218 920879188 /nfs/dbraw/zinc/87/91/88/920879188.db2.gz DSGIJRZCFZCQQG-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500762218 920879200 /nfs/dbraw/zinc/87/92/00/920879200.db2.gz DSGIJRZCFZCQQG-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500762218 920879214 /nfs/dbraw/zinc/87/92/14/920879214.db2.gz DSGIJRZCFZCQQG-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001501345615 920974017 /nfs/dbraw/zinc/97/40/17/920974017.db2.gz LNZJDUFLRJBTMO-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001501345615 920974025 /nfs/dbraw/zinc/97/40/25/920974025.db2.gz LNZJDUFLRJBTMO-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501364442 920979052 /nfs/dbraw/zinc/97/90/52/920979052.db2.gz NHKRUVKONRJXLE-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501364442 920979069 /nfs/dbraw/zinc/97/90/69/920979069.db2.gz NHKRUVKONRJXLE-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501364442 920979082 /nfs/dbraw/zinc/97/90/82/920979082.db2.gz NHKRUVKONRJXLE-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501364443 920979566 /nfs/dbraw/zinc/97/95/66/920979566.db2.gz NHKRUVKONRJXLE-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501364443 920979577 /nfs/dbraw/zinc/97/95/77/920979577.db2.gz NHKRUVKONRJXLE-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501364443 920979588 /nfs/dbraw/zinc/97/95/88/920979588.db2.gz NHKRUVKONRJXLE-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001521496606 922362597 /nfs/dbraw/zinc/36/25/97/922362597.db2.gz WMIZMESRIQSCOU-ZDUSSCGKSA-N 2 1 265.357 -0.610 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001521690655 922373580 /nfs/dbraw/zinc/37/35/80/922373580.db2.gz CIPCAFUADRVTHJ-CYBMUJFWSA-N 2 1 258.325 -0.223 20 30 CBEDMP OC[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1CO ZINC000351266422 353475088 /nfs/dbraw/zinc/47/50/88/353475088.db2.gz DJVINPBQWZOVRB-KBPBESRZSA-N 2 1 252.358 -0.097 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000491392318 354456180 /nfs/dbraw/zinc/45/61/80/354456180.db2.gz BRCOZTVMEMWDHR-LBPRGKRZSA-N 2 1 252.362 -0.055 20 30 CBEDMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000563145005 354699215 /nfs/dbraw/zinc/69/92/15/354699215.db2.gz YMRNTOLOZOSIQI-ZIAGYGMSSA-N 2 1 293.367 -0.338 20 30 CBEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592155281 355134995 /nfs/dbraw/zinc/13/49/95/355134995.db2.gz ZKSZYMABXUYDMS-AWEZNQCLSA-N 2 1 280.372 -0.499 20 30 CBEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592155281 355134998 /nfs/dbraw/zinc/13/49/98/355134998.db2.gz ZKSZYMABXUYDMS-AWEZNQCLSA-N 2 1 280.372 -0.499 20 30 CBEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000595974924 355333255 /nfs/dbraw/zinc/33/32/55/355333255.db2.gz BTXGDTAZRBDLJU-UONOGXRCSA-N 2 1 293.415 -0.096 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600735030 355564007 /nfs/dbraw/zinc/56/40/07/355564007.db2.gz JNAXUGBEEPPSLY-JTQLQIEISA-N 2 1 272.349 -0.706 20 30 CBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603430701 355715517 /nfs/dbraw/zinc/71/55/17/355715517.db2.gz BTVDKNXTSCNXSA-BDAKNGLRSA-N 2 1 254.334 -0.286 20 30 CBEDMP C[NH+](CC#CC[N@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353158178 373110793 /nfs/dbraw/zinc/11/07/93/373110793.db2.gz YEOPASPBGSXCJD-UHFFFAOYSA-N 2 1 252.358 -0.097 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000491747016 373708090 /nfs/dbraw/zinc/70/80/90/373708090.db2.gz VWXBZHVIWISNDL-VXGBXAGGSA-N 2 1 252.362 -0.070 20 30 CBEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262312149 220249599 /nfs/dbraw/zinc/24/95/99/220249599.db2.gz PYSIAKPMXIZEJG-PWSUYJOCSA-N 2 1 256.350 -0.864 20 30 CBEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])N2CCSCC2)C1 ZINC000262347582 220249928 /nfs/dbraw/zinc/24/99/28/220249928.db2.gz YHFUEPQAIACNAS-NSHDSACASA-N 2 1 258.391 -0.584 20 30 CBEDMP CNC(=O)C[NH+]1CCC(NC(NC2CCC2)=[NH+]C)CC1 ZINC000262754761 220255963 /nfs/dbraw/zinc/25/59/63/220255963.db2.gz AWAGXJGRLNKLHI-UHFFFAOYSA-N 2 1 281.404 -0.086 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnn(C)n1 ZINC000262799375 220258165 /nfs/dbraw/zinc/25/81/65/220258165.db2.gz QMEYQAGDHYQDRP-SECBINFHSA-N 2 1 266.353 -0.901 20 30 CBEDMP Cc1cnn(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000267391374 220267911 /nfs/dbraw/zinc/26/79/11/220267911.db2.gz DEZYJLPAUHVIAY-UHFFFAOYSA-N 2 1 294.403 -0.182 20 30 CBEDMP C=CCNC(=O)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000271964582 220273450 /nfs/dbraw/zinc/27/34/50/220273450.db2.gz SDSZQFXSFNEARV-LLVKDONJSA-N 2 1 267.377 -0.323 20 30 CBEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)NC1CC1 ZINC000303391697 220325278 /nfs/dbraw/zinc/32/52/78/220325278.db2.gz DYOMPQUDAGAKPU-UHFFFAOYSA-N 2 1 253.394 -0.049 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000328108588 330313950 /nfs/dbraw/zinc/31/39/50/330313950.db2.gz NJCNLEXZSDCRIG-CYBMUJFWSA-N 2 1 250.346 -0.211 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000328108588 330313951 /nfs/dbraw/zinc/31/39/51/330313951.db2.gz NJCNLEXZSDCRIG-CYBMUJFWSA-N 2 1 250.346 -0.211 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000491266571 332177163 /nfs/dbraw/zinc/17/71/63/332177163.db2.gz PQDHOUVFPMCNAO-CQSZACIVSA-N 2 1 280.416 -0.306 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000491266571 332177164 /nfs/dbraw/zinc/17/71/64/332177164.db2.gz PQDHOUVFPMCNAO-CQSZACIVSA-N 2 1 280.416 -0.306 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000491652593 332265258 /nfs/dbraw/zinc/26/52/58/332265258.db2.gz ALMALRAOJSUSHM-UHFFFAOYSA-N 2 1 296.415 -0.037 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000491652593 332265260 /nfs/dbraw/zinc/26/52/60/332265260.db2.gz ALMALRAOJSUSHM-UHFFFAOYSA-N 2 1 296.415 -0.037 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000491652593 332265261 /nfs/dbraw/zinc/26/52/61/332265261.db2.gz ALMALRAOJSUSHM-UHFFFAOYSA-N 2 1 296.415 -0.037 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000491793970 332353915 /nfs/dbraw/zinc/35/39/15/332353915.db2.gz NWVKFLDYYGZDDN-LBPRGKRZSA-N 2 1 252.362 -0.055 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014871 333079093 /nfs/dbraw/zinc/07/90/93/333079093.db2.gz LBLRQHUAURWTFN-LLVKDONJSA-N 2 1 283.376 -0.174 20 30 CBEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000104174653 582113311 /nfs/dbraw/zinc/11/33/11/582113311.db2.gz XZMVHUOHMPJFHI-CQSZACIVSA-N 2 1 297.447 -0.093 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC)CC1 ZINC000732306180 582158499 /nfs/dbraw/zinc/15/84/99/582158499.db2.gz KFRCWOFBJRWOEA-HNNXBMFYSA-N 2 1 292.427 -0.162 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC)CC1 ZINC000732306180 582158500 /nfs/dbraw/zinc/15/85/00/582158500.db2.gz KFRCWOFBJRWOEA-HNNXBMFYSA-N 2 1 292.427 -0.162 20 30 CBEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000747405135 582286272 /nfs/dbraw/zinc/28/62/72/582286272.db2.gz UXMLCCZDQYOEAL-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000747405135 582286273 /nfs/dbraw/zinc/28/62/73/582286273.db2.gz UXMLCCZDQYOEAL-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000801544175 582424701 /nfs/dbraw/zinc/42/47/01/582424701.db2.gz BTODXYAZYAIMGL-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000830012513 582915235 /nfs/dbraw/zinc/91/52/35/582915235.db2.gz BCPFETDAJPPLOX-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000830012513 582915236 /nfs/dbraw/zinc/91/52/36/582915236.db2.gz BCPFETDAJPPLOX-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP C[NH+]=C(NCCC[N@H+]1CCC[C@H](C(N)=O)C1)NC1CC1 ZINC000849000313 583466101 /nfs/dbraw/zinc/46/61/01/583466101.db2.gz ROLMJZIGHAPDFV-NSHDSACASA-N 2 1 281.404 -0.099 20 30 CBEDMP C=C(CO)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346933 583636525 /nfs/dbraw/zinc/63/65/25/583636525.db2.gz OYYYSRCJGLYTAY-LBPRGKRZSA-N 2 1 257.378 -0.077 20 30 CBEDMP C=C(CO)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346933 583636527 /nfs/dbraw/zinc/63/65/27/583636527.db2.gz OYYYSRCJGLYTAY-LBPRGKRZSA-N 2 1 257.378 -0.077 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861634977 583773696 /nfs/dbraw/zinc/77/36/96/583773696.db2.gz WEBHFJBEWVRGTB-NWDGAFQWSA-N 2 1 252.362 -0.009 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861713585 583780626 /nfs/dbraw/zinc/78/06/26/583780626.db2.gz DFFKNJWVGFHNBX-CHWSQXEVSA-N 2 1 267.373 -0.228 20 30 CBEDMP CCNC(NCCC[N@H+]1CCC[C@H]1C(N)=O)=[NH+]CC ZINC000864355115 583880991 /nfs/dbraw/zinc/88/09/91/583880991.db2.gz CJZHBMFZZWNSJD-NSHDSACASA-N 2 1 269.393 -0.099 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000872208804 584050209 /nfs/dbraw/zinc/05/02/09/584050209.db2.gz DWJUBEFFQKFCNW-CQSZACIVSA-N 2 1 284.400 -0.176 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000872208804 584050212 /nfs/dbraw/zinc/05/02/12/584050212.db2.gz DWJUBEFFQKFCNW-CQSZACIVSA-N 2 1 284.400 -0.176 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000875623790 584111909 /nfs/dbraw/zinc/11/19/09/584111909.db2.gz VYKUCVIVWDDWCM-CYBMUJFWSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875623790 584111910 /nfs/dbraw/zinc/11/19/10/584111910.db2.gz VYKUCVIVWDDWCM-CYBMUJFWSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000875623790 584111913 /nfs/dbraw/zinc/11/19/13/584111913.db2.gz VYKUCVIVWDDWCM-CYBMUJFWSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCOC)C1 ZINC000884128243 584360982 /nfs/dbraw/zinc/36/09/82/584360982.db2.gz YNEWTXJKHKCTCX-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](C)CCOC)C1 ZINC000884128243 584360984 /nfs/dbraw/zinc/36/09/84/584360984.db2.gz YNEWTXJKHKCTCX-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCOC)C1 ZINC000884128243 584360985 /nfs/dbraw/zinc/36/09/85/584360985.db2.gz YNEWTXJKHKCTCX-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCOC)C1 ZINC000884128243 584360987 /nfs/dbraw/zinc/36/09/87/584360987.db2.gz YNEWTXJKHKCTCX-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000890368474 584548830 /nfs/dbraw/zinc/54/88/30/584548830.db2.gz IYJIESVPLYYWJD-DZGCQCFKSA-N 2 1 296.415 -0.304 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000890368474 584548831 /nfs/dbraw/zinc/54/88/31/584548831.db2.gz IYJIESVPLYYWJD-DZGCQCFKSA-N 2 1 296.415 -0.304 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC000900146607 584792500 /nfs/dbraw/zinc/79/25/00/584792500.db2.gz CMUYDAPEZQDBSY-UHFFFAOYSA-N 2 1 255.362 -0.369 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000900174190 584794158 /nfs/dbraw/zinc/79/41/58/584794158.db2.gz RWOKDHLDDZMAPL-UHFFFAOYSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000980446907 613082985 /nfs/dbraw/zinc/08/29/85/613082985.db2.gz AZWGSRMZBQBTLI-KGLIPLIRSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980446907 613082987 /nfs/dbraw/zinc/08/29/87/613082987.db2.gz AZWGSRMZBQBTLI-KGLIPLIRSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980446907 613082989 /nfs/dbraw/zinc/08/29/89/613082989.db2.gz AZWGSRMZBQBTLI-KGLIPLIRSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970270068 612960617 /nfs/dbraw/zinc/96/06/17/612960617.db2.gz GJKMWDQXFLABHK-CYBMUJFWSA-N 2 1 265.357 -0.468 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958595731 613034195 /nfs/dbraw/zinc/03/41/95/613034195.db2.gz UVKYGSHJSWRCNO-ZIAGYGMSSA-N 2 1 291.395 -0.486 20 30 CBEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000980446907 613082983 /nfs/dbraw/zinc/08/29/83/613082983.db2.gz AZWGSRMZBQBTLI-KGLIPLIRSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCO)CC2)CC1 ZINC000957768388 613129081 /nfs/dbraw/zinc/12/90/81/613129081.db2.gz ZKVFYSSBWPJARI-UHFFFAOYSA-N 2 1 293.411 -0.142 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC000968954237 613196735 /nfs/dbraw/zinc/19/67/35/613196735.db2.gz FPQIKSCGJJCBMG-XQQFMLRXSA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC000968954237 613196736 /nfs/dbraw/zinc/19/67/36/613196736.db2.gz FPQIKSCGJJCBMG-XQQFMLRXSA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCO)C1 ZINC000969866106 613201917 /nfs/dbraw/zinc/20/19/17/613201917.db2.gz SWHJSKBJMWUGJU-OCCSQVGLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCO)C1 ZINC000969866106 613201918 /nfs/dbraw/zinc/20/19/18/613201918.db2.gz SWHJSKBJMWUGJU-OCCSQVGLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219791 613303591 /nfs/dbraw/zinc/30/35/91/613303591.db2.gz NWJVHSCVSJVFGE-HIFRSBDPSA-N 2 1 298.346 -0.010 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979071025 613308413 /nfs/dbraw/zinc/30/84/13/613308413.db2.gz KBNABFHUXNGTEI-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979071025 613308414 /nfs/dbraw/zinc/30/84/14/613308414.db2.gz KBNABFHUXNGTEI-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979071025 613308417 /nfs/dbraw/zinc/30/84/17/613308417.db2.gz KBNABFHUXNGTEI-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979071025 613308418 /nfs/dbraw/zinc/30/84/18/613308418.db2.gz KBNABFHUXNGTEI-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000961579539 613315527 /nfs/dbraw/zinc/31/55/27/613315527.db2.gz FMMCDQDOYRZUPC-LJISPDSOSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000961579539 613315529 /nfs/dbraw/zinc/31/55/29/613315529.db2.gz FMMCDQDOYRZUPC-LJISPDSOSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961579539 613315531 /nfs/dbraw/zinc/31/55/31/613315531.db2.gz FMMCDQDOYRZUPC-LJISPDSOSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961579539 613315532 /nfs/dbraw/zinc/31/55/32/613315532.db2.gz FMMCDQDOYRZUPC-LJISPDSOSA-N 2 1 291.395 -0.225 20 30 CBEDMP C#CC[NH+]1CCC(NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000921436742 657903567 /nfs/dbraw/zinc/90/35/67/657903567.db2.gz BAVQIIYZFWFEFG-UHFFFAOYSA-N 2 1 287.429 -0.045 20 30 CBEDMP C#CC[C@@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000923201707 658168560 /nfs/dbraw/zinc/16/85/60/658168560.db2.gz RJQJMVWWSOOBRM-KBPBESRZSA-N 2 1 298.431 -0.058 20 30 CBEDMP C#CC[C@@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000923201707 658168568 /nfs/dbraw/zinc/16/85/68/658168568.db2.gz RJQJMVWWSOOBRM-KBPBESRZSA-N 2 1 298.431 -0.058 20 30 CBEDMP C#CCN1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000923572944 658335007 /nfs/dbraw/zinc/33/50/07/658335007.db2.gz HUFIVXXFICOLJY-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCN1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000923572944 658335012 /nfs/dbraw/zinc/33/50/12/658335012.db2.gz HUFIVXXFICOLJY-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP CNC(NCCC[NH+]1CCN(c2ncccn2)CC1)=[NH+]C ZINC000161490618 656078183 /nfs/dbraw/zinc/07/81/83/656078183.db2.gz NRMMFCLQQLNEFJ-UHFFFAOYSA-N 2 1 291.403 -0.217 20 30 CBEDMP CN(C)C(=O)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170910231 656083252 /nfs/dbraw/zinc/08/32/52/656083252.db2.gz PZTPEVYUXSKTMJ-UHFFFAOYSA-N 2 1 299.419 -0.519 20 30 CBEDMP C[C@H]1CN(C(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000262494202 656132845 /nfs/dbraw/zinc/13/28/45/656132845.db2.gz VXANMULXUZRATI-RYUDHWBXSA-N 2 1 269.393 -0.732 20 30 CBEDMP CCOCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303793918 656139725 /nfs/dbraw/zinc/13/97/25/656139725.db2.gz ZYYKSRXEPMQYJJ-UHFFFAOYSA-N 2 1 258.366 -0.351 20 30 CBEDMP COCCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303385977 656138894 /nfs/dbraw/zinc/13/88/94/656138894.db2.gz WDQGCBOERHQQTQ-LBPRGKRZSA-N 2 1 271.409 -0.579 20 30 CBEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NCCOC)CC1 ZINC000303388519 656138907 /nfs/dbraw/zinc/13/89/07/656138907.db2.gz XLUQAKSDTNUZQR-ZDUSSCGKSA-N 2 1 285.436 -0.189 20 30 CBEDMP [NH2+]=C(NCCCn1ccnc1)NCCC[NH+]1CCOCC1 ZINC000303706614 656139602 /nfs/dbraw/zinc/13/96/02/656139602.db2.gz LUJWNCFSMMHIJT-UHFFFAOYSA-N 2 1 294.403 -0.100 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCOC ZINC000303786986 656139753 /nfs/dbraw/zinc/13/97/53/656139753.db2.gz RYBLSKSKOYDIEP-LLVKDONJSA-N 2 1 285.392 -0.862 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304762213 656140748 /nfs/dbraw/zinc/14/07/48/656140748.db2.gz VJUQVSGJQBRBGZ-VXGBXAGGSA-N 2 1 272.393 -0.106 20 30 CBEDMP CN1CC[N@@H+](C)CC(C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000906601924 656393693 /nfs/dbraw/zinc/39/36/93/656393693.db2.gz WPUPUKHUKFKQGP-UHFFFAOYSA-N 2 1 293.415 -0.416 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908437002 656727358 /nfs/dbraw/zinc/72/73/58/656727358.db2.gz LGXLUQCBUVPSHA-UHFFFAOYSA-N 2 1 280.416 -0.449 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000908437002 656727369 /nfs/dbraw/zinc/72/73/69/656727369.db2.gz LGXLUQCBUVPSHA-UHFFFAOYSA-N 2 1 280.416 -0.449 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000908437002 656727376 /nfs/dbraw/zinc/72/73/76/656727376.db2.gz LGXLUQCBUVPSHA-UHFFFAOYSA-N 2 1 280.416 -0.449 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001000787936 656762915 /nfs/dbraw/zinc/76/29/15/656762915.db2.gz LHAAIINAXOMMFI-HNNXBMFYSA-N 2 1 291.395 -0.175 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001000787936 656762895 /nfs/dbraw/zinc/76/28/95/656762895.db2.gz LHAAIINAXOMMFI-HNNXBMFYSA-N 2 1 291.395 -0.175 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001000787936 656762903 /nfs/dbraw/zinc/76/29/03/656762903.db2.gz LHAAIINAXOMMFI-HNNXBMFYSA-N 2 1 291.395 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCO)CC1 ZINC001000787936 656762906 /nfs/dbraw/zinc/76/29/06/656762906.db2.gz LHAAIINAXOMMFI-HNNXBMFYSA-N 2 1 291.395 -0.175 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCO)CC1 ZINC000912608875 657297847 /nfs/dbraw/zinc/29/78/47/657297847.db2.gz PFIHBPRUTKMUOK-UHFFFAOYSA-N 2 1 281.400 -0.286 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913524573 657493298 /nfs/dbraw/zinc/49/32/98/657493298.db2.gz SDYHSTHUOBWIDA-DGCLKSJQSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913540111 657496064 /nfs/dbraw/zinc/49/60/64/657496064.db2.gz OPNBBXFWVQTQJV-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913540111 657496070 /nfs/dbraw/zinc/49/60/70/657496070.db2.gz OPNBBXFWVQTQJV-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015823786 657556997 /nfs/dbraw/zinc/55/69/97/657556997.db2.gz ZYUKLFHIRRJXIS-CQSZACIVSA-N 2 1 289.383 -0.118 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015823786 657557016 /nfs/dbraw/zinc/55/70/16/657557016.db2.gz ZYUKLFHIRRJXIS-CQSZACIVSA-N 2 1 289.383 -0.118 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016306164 657685164 /nfs/dbraw/zinc/68/51/64/657685164.db2.gz NSGWXQRELALJSI-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016306164 657685169 /nfs/dbraw/zinc/68/51/69/657685169.db2.gz NSGWXQRELALJSI-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016306164 657685178 /nfs/dbraw/zinc/68/51/78/657685178.db2.gz NSGWXQRELALJSI-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016306164 657685184 /nfs/dbraw/zinc/68/51/84/657685184.db2.gz NSGWXQRELALJSI-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924978114 658683494 /nfs/dbraw/zinc/68/34/94/658683494.db2.gz VEUOMONEQIPBMI-RYUDHWBXSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925319025 658823369 /nfs/dbraw/zinc/82/33/69/658823369.db2.gz YMIWZFWLUURYCS-NEPJUHHUSA-N 2 1 278.356 -0.434 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925319025 658823371 /nfs/dbraw/zinc/82/33/71/658823371.db2.gz YMIWZFWLUURYCS-NEPJUHHUSA-N 2 1 278.356 -0.434 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000928647660 659057453 /nfs/dbraw/zinc/05/74/53/659057453.db2.gz IKEVLWYNMIQJSC-ZFWWWQNUSA-N 2 1 279.384 -0.345 20 30 CBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000930007396 659195076 /nfs/dbraw/zinc/19/50/76/659195076.db2.gz PEKXFEJEVDCWQU-CYBMUJFWSA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000930007396 659195078 /nfs/dbraw/zinc/19/50/78/659195078.db2.gz PEKXFEJEVDCWQU-CYBMUJFWSA-N 2 1 294.399 -0.427 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990569008 659759547 /nfs/dbraw/zinc/75/95/47/659759547.db2.gz BYOSKHLNXHQUPL-ZDUSSCGKSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569008 659759559 /nfs/dbraw/zinc/75/95/59/659759559.db2.gz BYOSKHLNXHQUPL-ZDUSSCGKSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995591335 659904362 /nfs/dbraw/zinc/90/43/62/659904362.db2.gz TZSLRJDNECYIOO-QWHCGFSZSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995591335 659904368 /nfs/dbraw/zinc/90/43/68/659904368.db2.gz TZSLRJDNECYIOO-QWHCGFSZSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995591322 659904490 /nfs/dbraw/zinc/90/44/90/659904490.db2.gz TZSLRJDNECYIOO-CHWSQXEVSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995591322 659904491 /nfs/dbraw/zinc/90/44/91/659904491.db2.gz TZSLRJDNECYIOO-CHWSQXEVSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC(C)NC(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170908394 790412326 /nfs/dbraw/zinc/41/23/26/790412326.db2.gz LKIGLFREZQVBDK-UHFFFAOYSA-N 2 1 285.392 -0.862 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001022598022 791029096 /nfs/dbraw/zinc/02/90/96/791029096.db2.gz VBHMYDSVNJPPTK-HZSPNIEDSA-N 2 1 279.384 -0.034 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001022598022 791029108 /nfs/dbraw/zinc/02/91/08/791029108.db2.gz VBHMYDSVNJPPTK-HZSPNIEDSA-N 2 1 279.384 -0.034 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023672 805672540 /nfs/dbraw/zinc/67/25/40/805672540.db2.gz MUHBEEPSEPYXDJ-AAVRWANBSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023672 805672545 /nfs/dbraw/zinc/67/25/45/805672545.db2.gz MUHBEEPSEPYXDJ-AAVRWANBSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023672 805672549 /nfs/dbraw/zinc/67/25/49/805672549.db2.gz MUHBEEPSEPYXDJ-AAVRWANBSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618623 805756087 /nfs/dbraw/zinc/75/60/87/805756087.db2.gz NMOHDKLXJHWLSU-ZIAGYGMSSA-N 2 1 279.384 -0.487 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174506 805850343 /nfs/dbraw/zinc/85/03/43/805850343.db2.gz NKPKXDTWMHEMQO-QJPTWQEYSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174506 805850351 /nfs/dbraw/zinc/85/03/51/805850351.db2.gz NKPKXDTWMHEMQO-QJPTWQEYSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174506 805850361 /nfs/dbraw/zinc/85/03/61/805850361.db2.gz NKPKXDTWMHEMQO-QJPTWQEYSA-N 2 1 253.346 -0.715 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174506 805850370 /nfs/dbraw/zinc/85/03/70/805850370.db2.gz NKPKXDTWMHEMQO-QJPTWQEYSA-N 2 1 253.346 -0.715 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175822 805851168 /nfs/dbraw/zinc/85/11/68/805851168.db2.gz OAXFSFQAAKRJDS-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175822 805851177 /nfs/dbraw/zinc/85/11/77/805851177.db2.gz OAXFSFQAAKRJDS-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175822 805851186 /nfs/dbraw/zinc/85/11/86/805851186.db2.gz OAXFSFQAAKRJDS-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175822 805851195 /nfs/dbraw/zinc/85/11/95/805851195.db2.gz OAXFSFQAAKRJDS-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078205880 805855302 /nfs/dbraw/zinc/85/53/02/805855302.db2.gz IFGNZIGKKMPRNZ-MGPQQGTHSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078205880 805855311 /nfs/dbraw/zinc/85/53/11/805855311.db2.gz IFGNZIGKKMPRNZ-MGPQQGTHSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078205880 805855320 /nfs/dbraw/zinc/85/53/20/805855320.db2.gz IFGNZIGKKMPRNZ-MGPQQGTHSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078205880 805855331 /nfs/dbraw/zinc/85/53/31/805855331.db2.gz IFGNZIGKKMPRNZ-MGPQQGTHSA-N 2 1 297.399 -0.556 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368536 806170722 /nfs/dbraw/zinc/17/07/22/806170722.db2.gz GJRSJLLWRJNTRW-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368536 806170729 /nfs/dbraw/zinc/17/07/29/806170729.db2.gz GJRSJLLWRJNTRW-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368536 806170735 /nfs/dbraw/zinc/17/07/35/806170735.db2.gz GJRSJLLWRJNTRW-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472709 806336100 /nfs/dbraw/zinc/33/61/00/806336100.db2.gz MUHBEEPSEPYXDJ-SYQHCUMBSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472709 806336106 /nfs/dbraw/zinc/33/61/06/806336106.db2.gz MUHBEEPSEPYXDJ-SYQHCUMBSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472709 806336114 /nfs/dbraw/zinc/33/61/14/806336114.db2.gz MUHBEEPSEPYXDJ-SYQHCUMBSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727188 806416916 /nfs/dbraw/zinc/41/69/16/806416916.db2.gz PCQINYOLKWIMIY-XQLPTFJDSA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727188 806416921 /nfs/dbraw/zinc/41/69/21/806416921.db2.gz PCQINYOLKWIMIY-XQLPTFJDSA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727188 806416926 /nfs/dbraw/zinc/41/69/26/806416926.db2.gz PCQINYOLKWIMIY-XQLPTFJDSA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2O)CC1 ZINC001084087958 806486492 /nfs/dbraw/zinc/48/64/92/806486492.db2.gz JVBJKSUKGZYIJF-CABCVRRESA-N 2 1 293.411 -0.099 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078774 806486718 /nfs/dbraw/zinc/48/67/18/806486718.db2.gz IFGNZIGKKMPRNZ-HZSPNIEDSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078774 806486723 /nfs/dbraw/zinc/48/67/23/806486723.db2.gz IFGNZIGKKMPRNZ-HZSPNIEDSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078774 806486727 /nfs/dbraw/zinc/48/67/27/806486727.db2.gz IFGNZIGKKMPRNZ-HZSPNIEDSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078774 806486734 /nfs/dbraw/zinc/48/67/34/806486734.db2.gz IFGNZIGKKMPRNZ-HZSPNIEDSA-N 2 1 297.399 -0.556 20 30 CBEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023290765 798897453 /nfs/dbraw/zinc/89/74/53/798897453.db2.gz AZRBYGBJUNHMHA-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023290765 798897458 /nfs/dbraw/zinc/89/74/58/798897458.db2.gz AZRBYGBJUNHMHA-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023290765 798897463 /nfs/dbraw/zinc/89/74/63/798897463.db2.gz AZRBYGBJUNHMHA-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023290765 798897466 /nfs/dbraw/zinc/89/74/66/798897466.db2.gz AZRBYGBJUNHMHA-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023290764 798898732 /nfs/dbraw/zinc/89/87/32/798898732.db2.gz AZRBYGBJUNHMHA-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023290764 798898739 /nfs/dbraw/zinc/89/87/39/798898739.db2.gz AZRBYGBJUNHMHA-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023290764 798898744 /nfs/dbraw/zinc/89/87/44/798898744.db2.gz AZRBYGBJUNHMHA-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023290764 798898752 /nfs/dbraw/zinc/89/87/52/798898752.db2.gz AZRBYGBJUNHMHA-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797891 798977408 /nfs/dbraw/zinc/97/74/08/798977408.db2.gz YXSYBELVTCWJLW-VQJWOFKYSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025797891 798977412 /nfs/dbraw/zinc/97/74/12/798977412.db2.gz YXSYBELVTCWJLW-VQJWOFKYSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797891 798977415 /nfs/dbraw/zinc/97/74/15/798977415.db2.gz YXSYBELVTCWJLW-VQJWOFKYSA-N 2 1 289.379 -0.471 20 30 CBEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028465955 799139987 /nfs/dbraw/zinc/13/99/87/799139987.db2.gz NRYFIBDMNKSKEO-STQMWFEESA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028465955 799139990 /nfs/dbraw/zinc/13/99/90/799139990.db2.gz NRYFIBDMNKSKEO-STQMWFEESA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028465955 799139994 /nfs/dbraw/zinc/13/99/94/799139994.db2.gz NRYFIBDMNKSKEO-STQMWFEESA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028465955 799139996 /nfs/dbraw/zinc/13/99/96/799139996.db2.gz NRYFIBDMNKSKEO-STQMWFEESA-N 2 1 267.373 -0.059 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001029004016 799186345 /nfs/dbraw/zinc/18/63/45/799186345.db2.gz RZGUMXODXJSDEQ-AWEZNQCLSA-N 2 1 293.411 -0.238 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC1 ZINC001032800584 799670583 /nfs/dbraw/zinc/67/05/83/799670583.db2.gz OVYZRRVQEMLLBT-GJZGRUSLSA-N 2 1 291.395 -0.391 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC1 ZINC001032800584 799670587 /nfs/dbraw/zinc/67/05/87/799670587.db2.gz OVYZRRVQEMLLBT-GJZGRUSLSA-N 2 1 291.395 -0.391 20 30 CBEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001034614456 799848402 /nfs/dbraw/zinc/84/84/02/799848402.db2.gz QPTVAHVPSNXOFV-IHRRRGAJSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001034614456 799848406 /nfs/dbraw/zinc/84/84/06/799848406.db2.gz QPTVAHVPSNXOFV-IHRRRGAJSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038142796 800063271 /nfs/dbraw/zinc/06/32/71/800063271.db2.gz QEXRRCCGSXSKLC-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCCN1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038142796 800063279 /nfs/dbraw/zinc/06/32/79/800063279.db2.gz QEXRRCCGSXSKLC-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)CC1 ZINC001046849574 801798057 /nfs/dbraw/zinc/79/80/57/801798057.db2.gz HMISCVGYDYFESR-MRXNPFEDSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324728 801835637 /nfs/dbraw/zinc/83/56/37/801835637.db2.gz VZEQGSIOUUNQHZ-IHRRRGAJSA-N 2 1 279.384 -0.393 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047324728 801835644 /nfs/dbraw/zinc/83/56/44/801835644.db2.gz VZEQGSIOUUNQHZ-IHRRRGAJSA-N 2 1 279.384 -0.393 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047324728 801835650 /nfs/dbraw/zinc/83/56/50/801835650.db2.gz VZEQGSIOUUNQHZ-IHRRRGAJSA-N 2 1 279.384 -0.393 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553779 801898185 /nfs/dbraw/zinc/89/81/85/801898185.db2.gz XGMUPEZCNXGORX-GJZGRUSLSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553779 801898190 /nfs/dbraw/zinc/89/81/90/801898190.db2.gz XGMUPEZCNXGORX-GJZGRUSLSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739890 801961666 /nfs/dbraw/zinc/96/16/66/801961666.db2.gz QBKCLINOQIUJKD-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739890 801961674 /nfs/dbraw/zinc/96/16/74/801961674.db2.gz QBKCLINOQIUJKD-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739890 801961677 /nfs/dbraw/zinc/96/16/77/801961677.db2.gz QBKCLINOQIUJKD-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739890 801961682 /nfs/dbraw/zinc/96/16/82/801961682.db2.gz QBKCLINOQIUJKD-QLFBSQMISA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC)C1 ZINC001051660050 802157166 /nfs/dbraw/zinc/15/71/66/802157166.db2.gz JSLUHQKUBYFCAD-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC)C1 ZINC001051660050 802157170 /nfs/dbraw/zinc/15/71/70/802157170.db2.gz JSLUHQKUBYFCAD-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834174 814303948 /nfs/dbraw/zinc/30/39/48/814303948.db2.gz PWLIHWUMYBLUMP-CHWSQXEVSA-N 2 1 296.415 -0.133 20 30 CBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001321562861 803784565 /nfs/dbraw/zinc/78/45/65/803784565.db2.gz HSVSOCQRKKPIOD-NEPJUHHUSA-N 2 1 295.387 -0.795 20 30 CBEDMP COCC#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001323349537 804014385 /nfs/dbraw/zinc/01/43/85/804014385.db2.gz AGKSBXANBOMFAQ-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCO)C1 ZINC001324740992 804191887 /nfs/dbraw/zinc/19/18/87/804191887.db2.gz JVTIDVSASLMDJW-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCO)C1 ZINC001324740992 804191895 /nfs/dbraw/zinc/19/18/95/804191895.db2.gz JVTIDVSASLMDJW-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714532 815041508 /nfs/dbraw/zinc/04/15/08/815041508.db2.gz DWYUYKSPAHJGPI-AWEZNQCLSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714532 815041513 /nfs/dbraw/zinc/04/15/13/815041513.db2.gz DWYUYKSPAHJGPI-AWEZNQCLSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073553847 805382945 /nfs/dbraw/zinc/38/29/45/805382945.db2.gz AGGFPOMDVPMOPV-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073553847 805382954 /nfs/dbraw/zinc/38/29/54/805382954.db2.gz AGGFPOMDVPMOPV-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553847 805382965 /nfs/dbraw/zinc/38/29/65/805382965.db2.gz AGGFPOMDVPMOPV-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553847 805382974 /nfs/dbraw/zinc/38/29/74/805382974.db2.gz AGGFPOMDVPMOPV-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151740691 815090019 /nfs/dbraw/zinc/09/00/19/815090019.db2.gz XCJIEINHGHGJAV-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151740691 815090025 /nfs/dbraw/zinc/09/00/25/815090025.db2.gz XCJIEINHGHGJAV-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152445223 815122488 /nfs/dbraw/zinc/12/24/88/815122488.db2.gz DUSMEPKSBDSHFZ-ZDUSSCGKSA-N 2 1 296.415 -0.131 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152446331 815123356 /nfs/dbraw/zinc/12/33/56/815123356.db2.gz XRNVQMDFXJWZRZ-GFCCVEGCSA-N 2 1 284.404 -0.277 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155821865 815314805 /nfs/dbraw/zinc/31/48/05/815314805.db2.gz DKSXVTFQTZJLTM-CHWSQXEVSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433063 810497818 /nfs/dbraw/zinc/49/78/18/810497818.db2.gz ODWDCDFEYINZAU-ZIAGYGMSSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433063 810497822 /nfs/dbraw/zinc/49/78/22/810497822.db2.gz ODWDCDFEYINZAU-ZIAGYGMSSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540248 810521304 /nfs/dbraw/zinc/52/13/04/810521304.db2.gz NZLYOSCXVGLNPB-KBPBESRZSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540248 810521308 /nfs/dbraw/zinc/52/13/08/810521308.db2.gz NZLYOSCXVGLNPB-KBPBESRZSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090814748 810569006 /nfs/dbraw/zinc/56/90/06/810569006.db2.gz LHMFDFQBDIQVND-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090814750 810569473 /nfs/dbraw/zinc/56/94/73/810569473.db2.gz LHMFDFQBDIQVND-ZIAGYGMSSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808889 810571113 /nfs/dbraw/zinc/57/11/13/810571113.db2.gz PONXLTAKELXVPW-KGLIPLIRSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808889 810571119 /nfs/dbraw/zinc/57/11/19/810571119.db2.gz PONXLTAKELXVPW-KGLIPLIRSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC)C[C@H]2O)CC1 ZINC001090832026 810575364 /nfs/dbraw/zinc/57/53/64/810575364.db2.gz XVFVFVKOFQXKJO-LSDHHAIUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969954 810979488 /nfs/dbraw/zinc/97/94/88/810979488.db2.gz PBBKCYIWZIVJOL-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969954 810979492 /nfs/dbraw/zinc/97/94/92/810979492.db2.gz PBBKCYIWZIVJOL-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985915 810984505 /nfs/dbraw/zinc/98/45/05/810984505.db2.gz GYHFPFBZPUSCQY-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987242 810985658 /nfs/dbraw/zinc/98/56/58/810985658.db2.gz WULYARUPHUABHG-UONOGXRCSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100063760 811007244 /nfs/dbraw/zinc/00/72/44/811007244.db2.gz CCZWGLNMKVGTOY-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100063760 811007250 /nfs/dbraw/zinc/00/72/50/811007250.db2.gz CCZWGLNMKVGTOY-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063760 811007256 /nfs/dbraw/zinc/00/72/56/811007256.db2.gz CCZWGLNMKVGTOY-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063760 811007262 /nfs/dbraw/zinc/00/72/62/811007262.db2.gz CCZWGLNMKVGTOY-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064122 811009825 /nfs/dbraw/zinc/00/98/25/811009825.db2.gz IJOZLHCEHCOITD-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064122 811009829 /nfs/dbraw/zinc/00/98/29/811009829.db2.gz IJOZLHCEHCOITD-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064122 811009834 /nfs/dbraw/zinc/00/98/34/811009834.db2.gz IJOZLHCEHCOITD-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073343 811014112 /nfs/dbraw/zinc/01/41/12/811014112.db2.gz CGXCCRUVOUQISH-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076002 811014188 /nfs/dbraw/zinc/01/41/88/811014188.db2.gz DNOWUZMYHJIMCC-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131857 811025488 /nfs/dbraw/zinc/02/54/88/811025488.db2.gz JUFRPNACFMBMGP-UONOGXRCSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131857 811025495 /nfs/dbraw/zinc/02/54/95/811025495.db2.gz JUFRPNACFMBMGP-UONOGXRCSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131857 811025501 /nfs/dbraw/zinc/02/55/01/811025501.db2.gz JUFRPNACFMBMGP-UONOGXRCSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100211982 811037933 /nfs/dbraw/zinc/03/79/33/811037933.db2.gz JJHXGMZHVQVKQO-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100211982 811037940 /nfs/dbraw/zinc/03/79/40/811037940.db2.gz JJHXGMZHVQVKQO-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977270 811505718 /nfs/dbraw/zinc/50/57/18/811505718.db2.gz BCCHFZIHRIZAIZ-RDBSUJKOSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977270 811505726 /nfs/dbraw/zinc/50/57/26/811505726.db2.gz BCCHFZIHRIZAIZ-RDBSUJKOSA-N 2 1 279.384 -0.081 20 30 CBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114041747 811711502 /nfs/dbraw/zinc/71/15/02/811711502.db2.gz PUEUFIRWCDVITM-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114041747 811711506 /nfs/dbraw/zinc/71/15/06/811711506.db2.gz PUEUFIRWCDVITM-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114041747 811711507 /nfs/dbraw/zinc/71/15/07/811711507.db2.gz PUEUFIRWCDVITM-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774508 812159482 /nfs/dbraw/zinc/15/94/82/812159482.db2.gz PLKSZNBOVSXZFJ-JYAVWHMHSA-N 2 1 294.399 -0.713 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774508 812159486 /nfs/dbraw/zinc/15/94/86/812159486.db2.gz PLKSZNBOVSXZFJ-JYAVWHMHSA-N 2 1 294.399 -0.713 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115037907 812174166 /nfs/dbraw/zinc/17/41/66/812174166.db2.gz CYONEQUCTPFCHE-FOLVSLTJSA-N 2 1 291.395 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126439 812180453 /nfs/dbraw/zinc/18/04/53/812180453.db2.gz NNZPXYAJAPQUNA-NHAGDIPZSA-N 2 1 279.384 -0.366 20 30 CBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242133 812187309 /nfs/dbraw/zinc/18/73/09/812187309.db2.gz WCTRTRUZYGLKTI-KBXIAJHMSA-N 2 1 291.395 -0.366 20 30 CBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115242133 812187312 /nfs/dbraw/zinc/18/73/12/812187312.db2.gz WCTRTRUZYGLKTI-KBXIAJHMSA-N 2 1 291.395 -0.366 20 30 CBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242133 812187318 /nfs/dbraw/zinc/18/73/18/812187318.db2.gz WCTRTRUZYGLKTI-KBXIAJHMSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507058 815536621 /nfs/dbraw/zinc/53/66/21/815536621.db2.gz OYUQMBPPQZLQIG-KGLIPLIRSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001120536611 812985958 /nfs/dbraw/zinc/98/59/58/812985958.db2.gz PJLCVDGAIVWICA-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159876987 815602962 /nfs/dbraw/zinc/60/29/62/815602962.db2.gz LZZWHZWOGXNSFD-CQSZACIVSA-N 2 1 291.399 -0.068 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC ZINC001129771089 813862940 /nfs/dbraw/zinc/86/29/40/813862940.db2.gz QOUBQLQCIMVATE-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC ZINC001129771089 813862952 /nfs/dbraw/zinc/86/29/52/813862952.db2.gz QOUBQLQCIMVATE-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001129770143 813863043 /nfs/dbraw/zinc/86/30/43/813863043.db2.gz CBPJQIGZIAZMCQ-STQMWFEESA-N 2 1 292.383 -0.932 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001129770143 813863052 /nfs/dbraw/zinc/86/30/52/813863052.db2.gz CBPJQIGZIAZMCQ-STQMWFEESA-N 2 1 292.383 -0.932 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520230 814038648 /nfs/dbraw/zinc/03/86/48/814038648.db2.gz VMXJQMBNLBMZNS-JVWICGRDSA-N 2 1 277.368 -0.421 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132882622 814197110 /nfs/dbraw/zinc/19/71/10/814197110.db2.gz GREBCEMEUFVHDX-STQMWFEESA-N 2 1 296.415 -0.275 20 30 CBEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001132883437 814197520 /nfs/dbraw/zinc/19/75/20/814197520.db2.gz SFBUYZYGGZPCON-RYUDHWBXSA-N 2 1 295.387 -0.938 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133868110 814314059 /nfs/dbraw/zinc/31/40/59/814314059.db2.gz ZEZQXTRTOIUXNU-VXGBXAGGSA-N 2 1 282.388 -0.808 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869122 814314327 /nfs/dbraw/zinc/31/43/27/814314327.db2.gz BIDGCDRCJRMJEJ-OLZOCXBDSA-N 2 1 267.373 -0.460 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133894211 814319596 /nfs/dbraw/zinc/31/95/96/814319596.db2.gz XYQSUIBFPSAGIS-UHFFFAOYSA-N 2 1 294.399 -0.827 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711172 814844388 /nfs/dbraw/zinc/84/43/88/814844388.db2.gz PYKMDOPTTXBAPV-LBPRGKRZSA-N 2 1 282.388 -0.828 20 30 CBEDMP N#C[C@@H]1COCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160933971 815688766 /nfs/dbraw/zinc/68/87/66/815688766.db2.gz RYUAKIYYICWJSR-LLVKDONJSA-N 2 1 252.318 -0.921 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872667 815847042 /nfs/dbraw/zinc/84/70/42/815847042.db2.gz ZVCSACAHCFKSAO-OWYJLGKBSA-N 2 1 277.368 -0.421 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872052 815847579 /nfs/dbraw/zinc/84/75/79/815847579.db2.gz FKTPSCFRNJDVQV-NPCAHTBFSA-N 2 1 291.395 -0.031 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOC)C1 ZINC001317058618 816926141 /nfs/dbraw/zinc/92/61/41/816926141.db2.gz FFRPAZGJWSURMJ-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOC)C1 ZINC001317058618 816926144 /nfs/dbraw/zinc/92/61/44/816926144.db2.gz FFRPAZGJWSURMJ-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317287758 816958881 /nfs/dbraw/zinc/95/88/81/816958881.db2.gz CVQOOWHWQGVQIV-CHWSQXEVSA-N 2 1 267.373 -0.318 20 30 CBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317296619 816960543 /nfs/dbraw/zinc/96/05/43/816960543.db2.gz BJSFXAXLRXBFJK-UONOGXRCSA-N 2 1 295.383 -0.843 20 30 CBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317296619 816960547 /nfs/dbraw/zinc/96/05/47/816960547.db2.gz BJSFXAXLRXBFJK-UONOGXRCSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCO)C1 ZINC001317324835 816965631 /nfs/dbraw/zinc/96/56/31/816965631.db2.gz HFIVCTJVHULSTL-KGLIPLIRSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCO)C1 ZINC001317324835 816965633 /nfs/dbraw/zinc/96/56/33/816965633.db2.gz HFIVCTJVHULSTL-KGLIPLIRSA-N 2 1 279.384 -0.486 20 30 CBEDMP C=CCOCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001317442067 816978969 /nfs/dbraw/zinc/97/89/69/816978969.db2.gz WRSRAHNUTWMTLO-CYBMUJFWSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001317442067 816978972 /nfs/dbraw/zinc/97/89/72/816978972.db2.gz WRSRAHNUTWMTLO-CYBMUJFWSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317442067 816978975 /nfs/dbraw/zinc/97/89/75/816978975.db2.gz WRSRAHNUTWMTLO-CYBMUJFWSA-N 2 1 285.388 -0.432 20 30 CBEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317442067 816978978 /nfs/dbraw/zinc/97/89/78/816978978.db2.gz WRSRAHNUTWMTLO-CYBMUJFWSA-N 2 1 285.388 -0.432 20 30 CBEDMP C#CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317550674 817008098 /nfs/dbraw/zinc/00/80/98/817008098.db2.gz MPNBIQUMIYRPFC-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317550674 817008103 /nfs/dbraw/zinc/00/81/03/817008103.db2.gz MPNBIQUMIYRPFC-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001317550674 817008110 /nfs/dbraw/zinc/00/81/10/817008110.db2.gz MPNBIQUMIYRPFC-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001317550674 817008114 /nfs/dbraw/zinc/00/81/14/817008114.db2.gz MPNBIQUMIYRPFC-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320315553 817320905 /nfs/dbraw/zinc/32/09/05/817320905.db2.gz JAEGIKNUOAFVIA-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166695022 820015401 /nfs/dbraw/zinc/01/54/01/820015401.db2.gz ZMDRIGRNBLRMBM-QWHCGFSZSA-N 2 1 294.399 -0.971 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166708803 820018898 /nfs/dbraw/zinc/01/88/98/820018898.db2.gz WPBWOPSBVIZZTO-CHWSQXEVSA-N 2 1 296.415 -0.418 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166708805 820019462 /nfs/dbraw/zinc/01/94/62/820019462.db2.gz WPBWOPSBVIZZTO-QWHCGFSZSA-N 2 1 296.415 -0.418 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176063881 820437706 /nfs/dbraw/zinc/43/77/06/820437706.db2.gz IFNHEXRLKZHAJI-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181652377 820807114 /nfs/dbraw/zinc/80/71/14/820807114.db2.gz LZWBHMCBCPTCEB-CHWSQXEVSA-N 2 1 294.399 -0.427 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821968 820832662 /nfs/dbraw/zinc/83/26/62/820832662.db2.gz KZSUPSUVJNKLKJ-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821968 820832667 /nfs/dbraw/zinc/83/26/67/820832667.db2.gz KZSUPSUVJNKLKJ-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284467255 828599635 /nfs/dbraw/zinc/59/96/35/828599635.db2.gz HZFYHZJLVBQCDC-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284467255 828599640 /nfs/dbraw/zinc/59/96/40/828599640.db2.gz HZFYHZJLVBQCDC-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859952 824134277 /nfs/dbraw/zinc/13/42/77/824134277.db2.gz PIEWLCXWUFJCDM-CHWSQXEVSA-N 2 1 285.388 -0.698 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981531 824139925 /nfs/dbraw/zinc/13/99/25/824139925.db2.gz VBZITQUCBKYKPS-MGPQQGTHSA-N 2 1 281.400 -0.243 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981531 824139928 /nfs/dbraw/zinc/13/99/28/824139928.db2.gz VBZITQUCBKYKPS-MGPQQGTHSA-N 2 1 281.400 -0.243 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268449 824156217 /nfs/dbraw/zinc/15/62/17/824156217.db2.gz UGGVGDFIPXIXJP-HZSPNIEDSA-N 2 1 299.415 -0.310 20 30 CBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196945803 824173087 /nfs/dbraw/zinc/17/30/87/824173087.db2.gz FUBSOPXEAYNKSZ-ZIAGYGMSSA-N 2 1 297.399 -0.554 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057511 824177105 /nfs/dbraw/zinc/17/71/05/824177105.db2.gz CPMVUCUXGZSHAC-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049320 824177291 /nfs/dbraw/zinc/17/72/91/824177291.db2.gz MDZPWJFHWFCAHM-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049320 824177295 /nfs/dbraw/zinc/17/72/95/824177295.db2.gz MDZPWJFHWFCAHM-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197942180 824208518 /nfs/dbraw/zinc/20/85/18/824208518.db2.gz VGTDFTOLPYSEGJ-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197942180 824208523 /nfs/dbraw/zinc/20/85/23/824208523.db2.gz VGTDFTOLPYSEGJ-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490857 824454375 /nfs/dbraw/zinc/45/43/75/824454375.db2.gz KUTAKNACKTZZOP-CHWSQXEVSA-N 2 1 296.415 -0.323 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490857 824454378 /nfs/dbraw/zinc/45/43/78/824454378.db2.gz KUTAKNACKTZZOP-CHWSQXEVSA-N 2 1 296.415 -0.323 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730272 824514737 /nfs/dbraw/zinc/51/47/37/824514737.db2.gz KTUONZKMBCQARO-ZIAGYGMSSA-N 2 1 297.399 -0.597 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730272 824514740 /nfs/dbraw/zinc/51/47/40/824514740.db2.gz KTUONZKMBCQARO-ZIAGYGMSSA-N 2 1 297.399 -0.597 20 30 CBEDMP N#Cc1c(N)nn(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1N ZINC001218658832 824618481 /nfs/dbraw/zinc/61/84/81/824618481.db2.gz ALIHNEGSJJEFNT-VIFPVBQESA-N 2 1 289.343 -0.566 20 30 CBEDMP C=CCN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811935 824898012 /nfs/dbraw/zinc/89/80/12/824898012.db2.gz DGFURGREJFZNPX-OLZOCXBDSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811935 824898016 /nfs/dbraw/zinc/89/80/16/824898016.db2.gz DGFURGREJFZNPX-OLZOCXBDSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219811935 824898024 /nfs/dbraw/zinc/89/80/24/824898024.db2.gz DGFURGREJFZNPX-OLZOCXBDSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219811935 824898026 /nfs/dbraw/zinc/89/80/26/824898026.db2.gz DGFURGREJFZNPX-OLZOCXBDSA-N 2 1 267.373 -0.182 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227203 824989228 /nfs/dbraw/zinc/98/92/28/824989228.db2.gz KWTAZBVCMSVHIO-OLZOCXBDSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227203 824989234 /nfs/dbraw/zinc/98/92/34/824989234.db2.gz KWTAZBVCMSVHIO-OLZOCXBDSA-N 2 1 279.384 -0.487 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276466 825004119 /nfs/dbraw/zinc/00/41/19/825004119.db2.gz BERQSMZRQUOOOH-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297070 825009072 /nfs/dbraw/zinc/00/90/72/825009072.db2.gz JWYFQMFFABQJBZ-FRRDWIJNSA-N 2 1 269.389 -0.080 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297070 825009075 /nfs/dbraw/zinc/00/90/75/825009075.db2.gz JWYFQMFFABQJBZ-FRRDWIJNSA-N 2 1 269.389 -0.080 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220377905 825024827 /nfs/dbraw/zinc/02/48/27/825024827.db2.gz SSTGARSQKVMUHS-AGIUHOORSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220377905 825024834 /nfs/dbraw/zinc/02/48/34/825024834.db2.gz SSTGARSQKVMUHS-AGIUHOORSA-N 2 1 267.373 -0.489 20 30 CBEDMP COC(=O)c1ccc(C(=N)NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001220579673 825069437 /nfs/dbraw/zinc/06/94/37/825069437.db2.gz YIOOJUOYKISTGL-JTQLQIEISA-N 2 1 278.312 -0.619 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220868756 825116427 /nfs/dbraw/zinc/11/64/27/825116427.db2.gz RXCLEDMTXLZGDQ-KCQAQPDRSA-N 2 1 278.400 -0.296 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001246000765 825619821 /nfs/dbraw/zinc/61/98/21/825619821.db2.gz MDVCAGSYJMGKLF-GXTWGEPZSA-N 3 1 285.388 -0.473 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246028100 825626360 /nfs/dbraw/zinc/62/63/60/825626360.db2.gz ZYAJICSCFWORIS-STQMWFEESA-N 2 1 258.362 -0.274 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246044836 825629483 /nfs/dbraw/zinc/62/94/83/825629483.db2.gz HLUXPHLUKHLFRD-FXJUQPSGSA-N 2 1 256.346 -0.545 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052798 825630461 /nfs/dbraw/zinc/63/04/61/825630461.db2.gz ORRCGBOPBATEHD-HZSPNIEDSA-N 2 1 252.358 -0.072 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CNC(=O)C1 ZINC001246302232 825662436 /nfs/dbraw/zinc/66/24/36/825662436.db2.gz BYIUCINWCDYBEF-QWRGUYRKSA-N 2 1 269.345 -0.309 20 30 CBEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246554472 825684290 /nfs/dbraw/zinc/68/42/90/825684290.db2.gz VGIMOPJCDWQFMO-AVGNSLFASA-N 2 1 252.362 -0.194 20 30 CBEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246555036 825684302 /nfs/dbraw/zinc/68/43/02/825684302.db2.gz ARFGNMCIUOKEGP-AVGNSLFASA-N 2 1 252.362 -0.194 20 30 CBEDMP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001252488044 825873273 /nfs/dbraw/zinc/87/32/73/825873273.db2.gz DXCWNBJXFBCDQU-CYBMUJFWSA-N 2 1 258.362 -0.404 20 30 CBEDMP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)NCC#N ZINC001265974351 826944843 /nfs/dbraw/zinc/94/48/43/826944843.db2.gz JRVHHLVFDSGQAE-UHFFFAOYSA-N 2 1 295.387 -0.840 20 30 CBEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266567418 827022249 /nfs/dbraw/zinc/02/22/49/827022249.db2.gz CPPQVUQLXJRPCW-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266567418 827022261 /nfs/dbraw/zinc/02/22/61/827022261.db2.gz CPPQVUQLXJRPCW-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266732423 827057461 /nfs/dbraw/zinc/05/74/61/827057461.db2.gz HDEMQKYTXXMLIA-HZSPNIEDSA-N 2 1 279.384 -0.033 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266732423 827057465 /nfs/dbraw/zinc/05/74/65/827057465.db2.gz HDEMQKYTXXMLIA-HZSPNIEDSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001267043444 827110820 /nfs/dbraw/zinc/11/08/20/827110820.db2.gz AXUXWGBGOOFDEI-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001267043444 827110823 /nfs/dbraw/zinc/11/08/23/827110823.db2.gz AXUXWGBGOOFDEI-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267225988 827132504 /nfs/dbraw/zinc/13/25/04/827132504.db2.gz JQLZHNJIKJDUGY-CHWSQXEVSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267225988 827132510 /nfs/dbraw/zinc/13/25/10/827132510.db2.gz JQLZHNJIKJDUGY-CHWSQXEVSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001267225989 827133402 /nfs/dbraw/zinc/13/34/02/827133402.db2.gz JQLZHNJIKJDUGY-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001267225989 827133408 /nfs/dbraw/zinc/13/34/08/827133408.db2.gz JQLZHNJIKJDUGY-OLZOCXBDSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001267966846 827235272 /nfs/dbraw/zinc/23/52/72/827235272.db2.gz SKWWZQIXBCUHPK-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267985922 827238087 /nfs/dbraw/zinc/23/80/87/827238087.db2.gz YAOKUYZQPCNOIC-VXGBXAGGSA-N 2 1 255.362 -0.155 20 30 CBEDMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267985922 827238096 /nfs/dbraw/zinc/23/80/96/827238096.db2.gz YAOKUYZQPCNOIC-VXGBXAGGSA-N 2 1 255.362 -0.155 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O ZINC001268459205 827334278 /nfs/dbraw/zinc/33/42/78/827334278.db2.gz PMVXZZVVBPNDMI-OLZOCXBDSA-N 2 1 294.399 -0.604 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O ZINC001268459205 827334284 /nfs/dbraw/zinc/33/42/84/827334284.db2.gz PMVXZZVVBPNDMI-OLZOCXBDSA-N 2 1 294.399 -0.604 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O ZINC001268459206 827334848 /nfs/dbraw/zinc/33/48/48/827334848.db2.gz PMVXZZVVBPNDMI-STQMWFEESA-N 2 1 294.399 -0.604 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O ZINC001268459206 827334858 /nfs/dbraw/zinc/33/48/58/827334858.db2.gz PMVXZZVVBPNDMI-STQMWFEESA-N 2 1 294.399 -0.604 20 30 CBEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272388098 827790374 /nfs/dbraw/zinc/79/03/74/827790374.db2.gz AQDDFAMHNVPGHV-OLZOCXBDSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272388098 827790378 /nfs/dbraw/zinc/79/03/78/827790378.db2.gz AQDDFAMHNVPGHV-OLZOCXBDSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272455743 827800511 /nfs/dbraw/zinc/80/05/11/827800511.db2.gz VNYMZGAYYYGFRK-VXGBXAGGSA-N 2 1 255.362 -0.277 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001272519646 827811803 /nfs/dbraw/zinc/81/18/03/827811803.db2.gz CSWNCUDLRNHHGD-STQMWFEESA-N 2 1 269.389 -0.029 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272554320 827821446 /nfs/dbraw/zinc/82/14/46/827821446.db2.gz UNRQZXJNWSYKOT-CQSZACIVSA-N 2 1 299.334 -0.419 20 30 CBEDMP C=C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273880316 827936210 /nfs/dbraw/zinc/93/62/10/827936210.db2.gz AHXWJBXNCIGPTF-HIFRSBDPSA-N 2 1 297.399 -0.602 20 30 CBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001273929444 827942847 /nfs/dbraw/zinc/94/28/47/827942847.db2.gz KMBZTXUJGTWPLO-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=C[C@](C)(O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274616903 828011571 /nfs/dbraw/zinc/01/15/71/828011571.db2.gz RETRBYMCTJRMMY-AWEZNQCLSA-N 2 1 297.399 -0.602 20 30 CBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274986216 828047533 /nfs/dbraw/zinc/04/75/33/828047533.db2.gz OLSQDTXSCVPICC-NEPJUHHUSA-N 2 1 295.387 -0.938 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001275459082 828089036 /nfs/dbraw/zinc/08/90/36/828089036.db2.gz LOZCMMUTKQHQDS-LBPRGKRZSA-N 2 1 282.388 -0.830 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001275639742 828105375 /nfs/dbraw/zinc/10/53/75/828105375.db2.gz YAFTURODKVRELG-GFCCVEGCSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001275639742 828105378 /nfs/dbraw/zinc/10/53/78/828105378.db2.gz YAFTURODKVRELG-GFCCVEGCSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278077558 828241843 /nfs/dbraw/zinc/24/18/43/828241843.db2.gz KZUVDEUGHDUMFU-STQMWFEESA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278077557 828242402 /nfs/dbraw/zinc/24/24/02/828242402.db2.gz KZUVDEUGHDUMFU-QWHCGFSZSA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278077556 828242874 /nfs/dbraw/zinc/24/28/74/828242874.db2.gz KZUVDEUGHDUMFU-OLZOCXBDSA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001278202675 828259757 /nfs/dbraw/zinc/25/97/57/828259757.db2.gz TVVIWADGWPUPAR-HUUCEWRRSA-N 2 1 289.379 -0.011 20 30 CBEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001278829006 828293131 /nfs/dbraw/zinc/29/31/31/828293131.db2.gz SFWSJKYQQSNGHZ-CQSZACIVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278829006 828293135 /nfs/dbraw/zinc/29/31/35/828293135.db2.gz SFWSJKYQQSNGHZ-CQSZACIVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278829006 828293140 /nfs/dbraw/zinc/29/31/40/828293140.db2.gz SFWSJKYQQSNGHZ-CQSZACIVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001278874394 828305043 /nfs/dbraw/zinc/30/50/43/828305043.db2.gz YIOGHMSXQDIKSJ-CYBMUJFWSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509809 828327010 /nfs/dbraw/zinc/32/70/10/828327010.db2.gz NRSSZLMKBOYEFM-CQSZACIVSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509809 828327014 /nfs/dbraw/zinc/32/70/14/828327014.db2.gz NRSSZLMKBOYEFM-CQSZACIVSA-N 2 1 267.373 -0.486 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331683435 886905817 /nfs/dbraw/zinc/90/58/17/886905817.db2.gz KFEWTOBUCSUDNF-VXGBXAGGSA-N 2 1 253.346 -0.829 20 30 CBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001331788581 886981576 /nfs/dbraw/zinc/98/15/76/886981576.db2.gz WOVXDAUWKRJGTP-KBPBESRZSA-N 2 1 297.399 -0.955 20 30 CBEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001336734580 888859255 /nfs/dbraw/zinc/85/92/55/888859255.db2.gz XSZWMOANMWNMKL-CHWSQXEVSA-N 2 1 254.378 -0.266 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001278815890 884818475 /nfs/dbraw/zinc/81/84/75/884818475.db2.gz LCIIZLYOYORDGX-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001278815892 884818662 /nfs/dbraw/zinc/81/86/62/884818662.db2.gz LCIIZLYOYORDGX-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001326091046 884905652 /nfs/dbraw/zinc/90/56/52/884905652.db2.gz IORMLCMJZIQKHN-CYBMUJFWSA-N 2 1 267.373 -0.628 20 30 CBEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001328130142 885579988 /nfs/dbraw/zinc/57/99/88/885579988.db2.gz SBESAYKVMYXEER-UHFFFAOYSA-N 2 1 280.416 -0.048 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001331683430 886905102 /nfs/dbraw/zinc/90/51/02/886905102.db2.gz KFEWTOBUCSUDNF-NEPJUHHUSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CCNC(=O)CC[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC001336763373 888872717 /nfs/dbraw/zinc/87/27/17/888872717.db2.gz QHPHZNMDPNQTII-UHFFFAOYSA-N 2 1 280.416 -0.257 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001348199525 890572090 /nfs/dbraw/zinc/57/20/90/890572090.db2.gz GQHSWFXPJLLGMB-KKUMJFAQSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001348199525 890572099 /nfs/dbraw/zinc/57/20/99/890572099.db2.gz GQHSWFXPJLLGMB-KKUMJFAQSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001348199525 890572106 /nfs/dbraw/zinc/57/21/06/890572106.db2.gz GQHSWFXPJLLGMB-KKUMJFAQSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C1 ZINC001348199525 890572113 /nfs/dbraw/zinc/57/21/13/890572113.db2.gz GQHSWFXPJLLGMB-KKUMJFAQSA-N 2 1 290.411 -0.412 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001357417445 891889243 /nfs/dbraw/zinc/88/92/43/891889243.db2.gz JEXWPRCPYFZJEZ-VXGBXAGGSA-N 2 1 252.362 -0.151 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001369377643 896245781 /nfs/dbraw/zinc/24/57/81/896245781.db2.gz FTXMOYJYELDBDI-LLVKDONJSA-N 2 1 287.791 -0.099 20 30 CBEDMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001507063600 921666992 /nfs/dbraw/zinc/66/69/92/921666992.db2.gz RUDJUMJSGOHKIL-NWDGAFQWSA-N 2 1 295.387 -0.843 20 30 CBEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001507200133 921735206 /nfs/dbraw/zinc/73/52/06/921735206.db2.gz DOMSBOVYIVBHSP-NWDGAFQWSA-N 2 1 255.362 -0.277 20 30 CBEDMP COCCC[N@@H+](C)CCNC(=O)NCC#CC[NH+](C)C ZINC001469116378 915378751 /nfs/dbraw/zinc/37/87/51/915378751.db2.gz DMFLAAGWZLZMQN-UHFFFAOYSA-N 2 1 284.404 -0.181 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507262116 921793077 /nfs/dbraw/zinc/79/30/77/921793077.db2.gz VOTQWPGNRHJKGO-QWRGUYRKSA-N 2 1 275.780 -0.243 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001507262116 921793085 /nfs/dbraw/zinc/79/30/85/921793085.db2.gz VOTQWPGNRHJKGO-QWRGUYRKSA-N 2 1 275.780 -0.243 20 30 CBEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001480010957 916256930 /nfs/dbraw/zinc/25/69/30/916256930.db2.gz SHGFVFUWEKGNDE-STQMWFEESA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001480010957 916256950 /nfs/dbraw/zinc/25/69/50/916256950.db2.gz SHGFVFUWEKGNDE-STQMWFEESA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480107793 916285363 /nfs/dbraw/zinc/28/53/63/916285363.db2.gz KZSUPSUVJNKLKJ-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480107793 916285383 /nfs/dbraw/zinc/28/53/83/916285383.db2.gz KZSUPSUVJNKLKJ-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001480811270 916549463 /nfs/dbraw/zinc/54/94/63/916549463.db2.gz PPCJLFBGHGOEFD-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001480811270 916549471 /nfs/dbraw/zinc/54/94/71/916549471.db2.gz PPCJLFBGHGOEFD-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001480811273 916550473 /nfs/dbraw/zinc/55/04/73/916550473.db2.gz PPCJLFBGHGOEFD-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001480811273 916550483 /nfs/dbraw/zinc/55/04/83/916550483.db2.gz PPCJLFBGHGOEFD-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480907213 916626555 /nfs/dbraw/zinc/62/65/55/916626555.db2.gz BDQGNYLVEJCFLI-GFCCVEGCSA-N 2 1 282.388 -0.876 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480907213 916626564 /nfs/dbraw/zinc/62/65/64/916626564.db2.gz BDQGNYLVEJCFLI-GFCCVEGCSA-N 2 1 282.388 -0.876 20 30 CBEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481218005 916766697 /nfs/dbraw/zinc/76/66/97/916766697.db2.gz XAFOLIWKHGFFDV-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481218005 916766712 /nfs/dbraw/zinc/76/67/12/916766712.db2.gz XAFOLIWKHGFFDV-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001481840624 917003978 /nfs/dbraw/zinc/00/39/78/917003978.db2.gz LIKVBXZBKINZMD-CHWSQXEVSA-N 2 1 296.415 -0.133 20 30 CBEDMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001481876998 917013528 /nfs/dbraw/zinc/01/35/28/917013528.db2.gz YQNSOMTYVCCGDJ-NWDGAFQWSA-N 2 1 295.387 -0.938 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482267120 917108580 /nfs/dbraw/zinc/10/85/80/917108580.db2.gz RFQAEANERNHNMA-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483325447 917528013 /nfs/dbraw/zinc/52/80/13/917528013.db2.gz YXQOTISGAAXHBO-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483325447 917528023 /nfs/dbraw/zinc/52/80/23/917528023.db2.gz YXQOTISGAAXHBO-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483325447 917528038 /nfs/dbraw/zinc/52/80/38/917528038.db2.gz YXQOTISGAAXHBO-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483325447 917528051 /nfs/dbraw/zinc/52/80/51/917528051.db2.gz YXQOTISGAAXHBO-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001483456196 917567369 /nfs/dbraw/zinc/56/73/69/917567369.db2.gz PIVPMFHNAGHRLN-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484217297 917766288 /nfs/dbraw/zinc/76/62/88/917766288.db2.gz RGVYOEBNTUSJCN-ZBFHGGJFSA-N 2 1 291.395 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC1CC1 ZINC001484485112 917868441 /nfs/dbraw/zinc/86/84/41/917868441.db2.gz XIONGNBHDVHTPA-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC1CC1 ZINC001484485112 917868447 /nfs/dbraw/zinc/86/84/47/917868447.db2.gz XIONGNBHDVHTPA-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001484703959 917926907 /nfs/dbraw/zinc/92/69/07/917926907.db2.gz LULYIJCOULEJCH-CQSZACIVSA-N 2 1 293.415 -0.320 20 30 CBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001484964567 917974421 /nfs/dbraw/zinc/97/44/21/917974421.db2.gz OKLNNJVMOYQAEK-UHFFFAOYSA-N 2 1 290.367 -0.232 20 30 CBEDMP C=CC[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001486004622 918300017 /nfs/dbraw/zinc/30/00/17/918300017.db2.gz OIWASCUJUXTHEU-LLVKDONJSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001486032402 918327234 /nfs/dbraw/zinc/32/72/34/918327234.db2.gz ALFQWGJEKNABNN-STQMWFEESA-N 2 1 290.367 -0.546 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001486032397 918328150 /nfs/dbraw/zinc/32/81/50/918328150.db2.gz ALFQWGJEKNABNN-QWHCGFSZSA-N 2 1 290.367 -0.546 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486296280 918414913 /nfs/dbraw/zinc/41/49/13/918414913.db2.gz OZKDZWCYIPFDSJ-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486354382 918451361 /nfs/dbraw/zinc/45/13/61/918451361.db2.gz AWMFBZZYWDKESM-CQSZACIVSA-N 2 1 293.411 -0.143 20 30 CBEDMP C=CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001489212775 918802006 /nfs/dbraw/zinc/80/20/06/918802006.db2.gz JRJGYHNYCLNDHW-CQSZACIVSA-N 2 1 299.415 -0.090 20 30 CBEDMP C=CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001489212775 918802017 /nfs/dbraw/zinc/80/20/17/918802017.db2.gz JRJGYHNYCLNDHW-CQSZACIVSA-N 2 1 299.415 -0.090 20 30 CBEDMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001489212775 918802026 /nfs/dbraw/zinc/80/20/26/918802026.db2.gz JRJGYHNYCLNDHW-CQSZACIVSA-N 2 1 299.415 -0.090 20 30 CBEDMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001489212775 918802034 /nfs/dbraw/zinc/80/20/34/918802034.db2.gz JRJGYHNYCLNDHW-CQSZACIVSA-N 2 1 299.415 -0.090 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559321 918936646 /nfs/dbraw/zinc/93/66/46/918936646.db2.gz XOBYZGIAIJTASN-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559321 918936653 /nfs/dbraw/zinc/93/66/53/918936653.db2.gz XOBYZGIAIJTASN-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001491992139 919307624 /nfs/dbraw/zinc/30/76/24/919307624.db2.gz KSRPRJTWYNQMHI-OLZOCXBDSA-N 2 1 296.415 -0.133 20 30 CBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001493601400 919590042 /nfs/dbraw/zinc/59/00/42/919590042.db2.gz ZSUKUDLOCQEHJI-LBPRGKRZSA-N 2 1 295.387 -0.842 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497115079 920252013 /nfs/dbraw/zinc/25/20/13/920252013.db2.gz SWNCHEAIYPYPOK-VXGBXAGGSA-N 2 1 255.362 -0.419 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497113679 920253648 /nfs/dbraw/zinc/25/36/48/920253648.db2.gz LLEGNLZUWJIAMG-RYUDHWBXSA-N 2 1 253.346 -0.972 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCO ZINC001497600660 920347741 /nfs/dbraw/zinc/34/77/41/920347741.db2.gz LKOUQCGUGNRDJX-SCOBNMCVSA-N 2 1 265.357 -0.662 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCO ZINC001497600660 920347759 /nfs/dbraw/zinc/34/77/59/920347759.db2.gz LKOUQCGUGNRDJX-SCOBNMCVSA-N 2 1 265.357 -0.662 20 30 CBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001497909705 920422144 /nfs/dbraw/zinc/42/21/44/920422144.db2.gz BIUXZZADRMDIIY-VXGBXAGGSA-N 2 1 295.387 -0.938 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001498055179 920462677 /nfs/dbraw/zinc/46/26/77/920462677.db2.gz MCNVRYNODZZTAR-AVGNSLFASA-N 2 1 294.399 -0.687 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001498055179 920462687 /nfs/dbraw/zinc/46/26/87/920462687.db2.gz MCNVRYNODZZTAR-AVGNSLFASA-N 2 1 294.399 -0.687 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001498197479 920516403 /nfs/dbraw/zinc/51/64/03/920516403.db2.gz MZKTXYFUPWPRBX-STQMWFEESA-N 2 1 296.415 -0.441 20 30 CBEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001500722063 920868995 /nfs/dbraw/zinc/86/89/95/920868995.db2.gz LISIFVZEPJEGCM-CYBMUJFWSA-N 2 1 255.362 -0.323 20 30 CBEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001501345420 920973055 /nfs/dbraw/zinc/97/30/55/920973055.db2.gz IBZAGPURADCJSB-INIZCTEOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001501345420 920973072 /nfs/dbraw/zinc/97/30/72/920973072.db2.gz IBZAGPURADCJSB-INIZCTEOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507569775 921869004 /nfs/dbraw/zinc/86/90/04/921869004.db2.gz WVAMVHKRBZYWOU-LBPRGKRZSA-N 2 1 255.362 -0.631 20 30 CBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001507598058 921876901 /nfs/dbraw/zinc/87/69/01/921876901.db2.gz DBQNQIPPAXINEZ-KBPBESRZSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507598058 921876909 /nfs/dbraw/zinc/87/69/09/921876909.db2.gz DBQNQIPPAXINEZ-KBPBESRZSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507598058 921876921 /nfs/dbraw/zinc/87/69/21/921876921.db2.gz DBQNQIPPAXINEZ-KBPBESRZSA-N 2 1 281.400 -0.145 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362826296 353668619 /nfs/dbraw/zinc/66/86/19/353668619.db2.gz MKCFIKPKMYDUFF-OLZOCXBDSA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362826296 353668620 /nfs/dbraw/zinc/66/86/20/353668620.db2.gz MKCFIKPKMYDUFF-OLZOCXBDSA-N 2 1 294.399 -0.427 20 30 CBEDMP O[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000367054562 353679674 /nfs/dbraw/zinc/67/96/74/353679674.db2.gz KJDKJDQDGYGEAX-ZIAGYGMSSA-N 2 1 276.380 -0.097 20 30 CBEDMP O[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000367054562 353679675 /nfs/dbraw/zinc/67/96/75/353679675.db2.gz KJDKJDQDGYGEAX-ZIAGYGMSSA-N 2 1 276.380 -0.097 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327622 355586965 /nfs/dbraw/zinc/58/69/65/355586965.db2.gz XSMRJLVIYQMMRS-NXEZZACHSA-N 2 1 254.334 -0.475 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327622 355586967 /nfs/dbraw/zinc/58/69/67/355586967.db2.gz XSMRJLVIYQMMRS-NXEZZACHSA-N 2 1 254.334 -0.475 20 30 CBEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600723147 355563052 /nfs/dbraw/zinc/56/30/52/355563052.db2.gz AWTZQFAJZGRNHU-CYBMUJFWSA-N 2 1 294.399 -0.205 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000600726600 355563308 /nfs/dbraw/zinc/56/33/08/355563308.db2.gz IBVVKDGJOSAQDP-LLVKDONJSA-N 2 1 286.376 -0.446 20 30 CBEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000262292898 220249546 /nfs/dbraw/zinc/24/95/46/220249546.db2.gz NBTDURXJBDVFMK-ZDUSSCGKSA-N 2 1 284.404 -0.010 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCN2CC[N@@H+](C)C(C)(C)C2)N1 ZINC000262688753 220256074 /nfs/dbraw/zinc/25/60/74/220256074.db2.gz ZOLXSVFCDSQSCP-LLVKDONJSA-N 2 1 253.394 -0.050 20 30 CBEDMP CN1CC[NH+]=C1NCCC(=O)N1CC[NH+](C)CC1 ZINC000262659134 220256277 /nfs/dbraw/zinc/25/62/77/220256277.db2.gz MMXUIPNSGMENJZ-UHFFFAOYSA-N 2 1 253.350 -0.959 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000285062271 220295180 /nfs/dbraw/zinc/29/51/80/220295180.db2.gz MADOBGRGBVMDSG-LLVKDONJSA-N 2 1 290.375 -0.462 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000285062275 220295883 /nfs/dbraw/zinc/29/58/83/220295883.db2.gz MADOBGRGBVMDSG-NSHDSACASA-N 2 1 290.375 -0.462 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303985268 220324820 /nfs/dbraw/zinc/32/48/20/220324820.db2.gz SUPXAANYJWBUDC-STQMWFEESA-N 2 1 283.420 -0.294 20 30 CBEDMP CN1CCO[C@H](CNC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000329442931 220339301 /nfs/dbraw/zinc/33/93/01/220339301.db2.gz KMLMROMERSGTJN-QWHCGFSZSA-N 2 1 299.419 -0.934 20 30 CBEDMP O[C@H]1C[NH+](CC#CC[N@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000367054560 285367550 /nfs/dbraw/zinc/36/75/50/285367550.db2.gz KJDKJDQDGYGEAX-KBPBESRZSA-N 2 1 276.380 -0.097 20 30 CBEDMP O[C@H]1C[NH+](CC#CC[N@@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000367054560 285367552 /nfs/dbraw/zinc/36/75/52/285367552.db2.gz KJDKJDQDGYGEAX-KBPBESRZSA-N 2 1 276.380 -0.097 20 30 CBEDMP C=C[C@H](CO)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000662167875 419553973 /nfs/dbraw/zinc/55/39/73/419553973.db2.gz QCNWRVQSWUHWOW-ZIAGYGMSSA-N 2 1 299.415 -0.404 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000491266140 332177238 /nfs/dbraw/zinc/17/72/38/332177238.db2.gz NWVKFLDYYGZDDN-GFCCVEGCSA-N 2 1 252.362 -0.055 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000491770337 332337157 /nfs/dbraw/zinc/33/71/57/332337157.db2.gz MEKTYQNQQKKEGY-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000491770337 332337159 /nfs/dbraw/zinc/33/71/59/332337159.db2.gz MEKTYQNQQKKEGY-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000491770337 332337160 /nfs/dbraw/zinc/33/71/60/332337160.db2.gz MEKTYQNQQKKEGY-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000491770337 332337161 /nfs/dbraw/zinc/33/71/61/332337161.db2.gz MEKTYQNQQKKEGY-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000491806036 332359271 /nfs/dbraw/zinc/35/92/71/332359271.db2.gz QATCTUGGDWEKRJ-LBPRGKRZSA-N 2 1 268.361 -0.771 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305850223 333000984 /nfs/dbraw/zinc/00/09/84/333000984.db2.gz JJWPDYUGTMRKCW-ZIAGYGMSSA-N 2 1 279.384 -0.534 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014883 333079102 /nfs/dbraw/zinc/07/91/02/333079102.db2.gz LBLRQHUAURWTFN-NSHDSACASA-N 2 1 283.376 -0.174 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000748816523 582288701 /nfs/dbraw/zinc/28/87/01/582288701.db2.gz DQZGLUQULGDSOK-HNNXBMFYSA-N 2 1 293.411 -0.142 20 30 CBEDMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCC#N ZINC000778951802 582359981 /nfs/dbraw/zinc/35/99/81/582359981.db2.gz XBMLOZVIVGRNHB-UHFFFAOYSA-N 2 1 281.404 -0.414 20 30 CBEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCC#N ZINC000778951802 582359982 /nfs/dbraw/zinc/35/99/82/582359982.db2.gz XBMLOZVIVGRNHB-UHFFFAOYSA-N 2 1 281.404 -0.414 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000841909789 583176442 /nfs/dbraw/zinc/17/64/42/583176442.db2.gz HUOXVUSHCGTTBL-QWHCGFSZSA-N 2 1 282.388 -0.301 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846166595 583354617 /nfs/dbraw/zinc/35/46/17/583354617.db2.gz ALNRACCLIGZSSK-ZIAGYGMSSA-N 2 1 296.415 -0.053 20 30 CBEDMP C[C@@H](C#N)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849003809 583466888 /nfs/dbraw/zinc/46/68/88/583466888.db2.gz HJUNANPXZHFFHF-NSHDSACASA-N 2 1 253.350 -0.018 20 30 CBEDMP C#CCOCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849017934 583468587 /nfs/dbraw/zinc/46/85/87/583468587.db2.gz NRECAWBYMCWUPY-UHFFFAOYSA-N 2 1 268.361 -0.528 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC#N ZINC000849028015 583469610 /nfs/dbraw/zinc/46/96/10/583469610.db2.gz WWTKQBGWOOSJCA-SNVBAGLBSA-N 2 1 266.349 -0.776 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000854644869 583614191 /nfs/dbraw/zinc/61/41/91/583614191.db2.gz VAHAHAOAXFMHFB-UHFFFAOYSA-N 2 1 280.416 -0.190 20 30 CBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000876783386 584144634 /nfs/dbraw/zinc/14/46/34/584144634.db2.gz AKHBYTIHACLSID-MNOVXSKESA-N 2 1 274.796 -0.182 20 30 CBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC[N@H+]1C ZINC000876802126 584146278 /nfs/dbraw/zinc/14/62/78/584146278.db2.gz LTVLUQKQPSGURS-WRWGMCAJSA-N 2 1 250.346 -0.056 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000900686504 584821550 /nfs/dbraw/zinc/82/15/50/584821550.db2.gz MGZUZMNRSZPHGG-UHFFFAOYSA-N 2 1 296.415 -0.225 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000969705599 612962750 /nfs/dbraw/zinc/96/27/50/612962750.db2.gz YABJWCAYQICDMZ-KGLIPLIRSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000969705599 612962751 /nfs/dbraw/zinc/96/27/51/612962751.db2.gz YABJWCAYQICDMZ-KGLIPLIRSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC)C[C@@H]2O)CC1 ZINC000958724355 613130240 /nfs/dbraw/zinc/13/02/40/613130240.db2.gz NXIHNPQUCWLJCJ-CABCVRRESA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968956301 613196566 /nfs/dbraw/zinc/19/65/66/613196566.db2.gz JBAFDDQXQBTILA-OLZOCXBDSA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968956301 613196567 /nfs/dbraw/zinc/19/65/67/613196567.db2.gz JBAFDDQXQBTILA-OLZOCXBDSA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219793 613295797 /nfs/dbraw/zinc/29/57/97/613295797.db2.gz NWJVHSCVSJVFGE-ZFWWWQNUSA-N 2 1 298.346 -0.010 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000923572939 658334936 /nfs/dbraw/zinc/33/49/36/658334936.db2.gz HUFIVXXFICOLJY-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000923572939 658334940 /nfs/dbraw/zinc/33/49/40/658334940.db2.gz HUFIVXXFICOLJY-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000170912705 656083186 /nfs/dbraw/zinc/08/31/86/656083186.db2.gz HCUBIJSOULYDFL-UHFFFAOYSA-N 2 1 269.393 -0.147 20 30 CBEDMP CCN(C)C(=O)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000187051755 656096426 /nfs/dbraw/zinc/09/64/26/656096426.db2.gz KWCHNBTVDXSZNB-LLVKDONJSA-N 2 1 269.393 -0.147 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NC2CC2)CC1 ZINC000195522569 656104155 /nfs/dbraw/zinc/10/41/55/656104155.db2.gz LOAWAROHSPXKKY-UHFFFAOYSA-N 2 1 253.350 -0.783 20 30 CBEDMP CNC(=O)CNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261674897 656125876 /nfs/dbraw/zinc/12/58/76/656125876.db2.gz CLJVGLIMAHBAMX-MWLCHTKSSA-N 2 1 267.377 -0.620 20 30 CBEDMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000262494203 656133188 /nfs/dbraw/zinc/13/31/88/656133188.db2.gz VXANMULXUZRATI-VXGBXAGGSA-N 2 1 269.393 -0.732 20 30 CBEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1CCCO1 ZINC000262830146 656134382 /nfs/dbraw/zinc/13/43/82/656134382.db2.gz ZQTZYNZVNALTTF-GFCCVEGCSA-N 2 1 270.377 -0.208 20 30 CBEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)NC[C@H]1CCCO1 ZINC000262830146 656134384 /nfs/dbraw/zinc/13/43/84/656134384.db2.gz ZQTZYNZVNALTTF-GFCCVEGCSA-N 2 1 270.377 -0.208 20 30 CBEDMP COC(=O)[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303981023 656140134 /nfs/dbraw/zinc/14/01/34/656140134.db2.gz OQBKMOBULJMSCQ-NSHDSACASA-N 2 1 286.376 -0.578 20 30 CBEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303991098 656140143 /nfs/dbraw/zinc/14/01/43/656140143.db2.gz ZFPXPVASIIDIJI-UHFFFAOYSA-N 2 1 283.420 -0.339 20 30 CBEDMP CN1CCC[N@H+](CCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303991098 656140145 /nfs/dbraw/zinc/14/01/45/656140145.db2.gz ZFPXPVASIIDIJI-UHFFFAOYSA-N 2 1 283.420 -0.339 20 30 CBEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303991098 656140148 /nfs/dbraw/zinc/14/01/48/656140148.db2.gz ZFPXPVASIIDIJI-UHFFFAOYSA-N 2 1 283.420 -0.339 20 30 CBEDMP COCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303977531 656140218 /nfs/dbraw/zinc/14/02/18/656140218.db2.gz LHQIPNOPWXMCNT-LLVKDONJSA-N 2 1 258.366 -0.352 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)CCOC ZINC000303979898 656140338 /nfs/dbraw/zinc/14/03/38/656140338.db2.gz NPAZDRWKORFBOB-ZDUSSCGKSA-N 2 1 285.436 -0.047 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(F)F ZINC000304733916 656140873 /nfs/dbraw/zinc/14/08/73/656140873.db2.gz RSCYJFOVVZKFSH-UHFFFAOYSA-N 2 1 250.293 -0.122 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304762208 656141060 /nfs/dbraw/zinc/14/10/60/656141060.db2.gz VJUQVSGJQBRBGZ-NEPJUHHUSA-N 2 1 272.393 -0.106 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)NCC1CC1 ZINC000305821935 656141530 /nfs/dbraw/zinc/14/15/30/656141530.db2.gz QTXYFORFRDMCQF-UHFFFAOYSA-N 2 1 297.403 -0.861 20 30 CBEDMP Cn1nccc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305874013 656141597 /nfs/dbraw/zinc/14/15/97/656141597.db2.gz YLQBZGJFKQEZNG-UHFFFAOYSA-N 2 1 294.403 -0.411 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998811057 656588925 /nfs/dbraw/zinc/58/89/25/656588925.db2.gz IMTQHXUAJQSLDI-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998811057 656588941 /nfs/dbraw/zinc/58/89/41/656588941.db2.gz IMTQHXUAJQSLDI-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCO)C1 ZINC000998929689 656594363 /nfs/dbraw/zinc/59/43/63/656594363.db2.gz XUIORKXJHHJLMR-RUXDESIVSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCO)C1 ZINC000998929689 656594377 /nfs/dbraw/zinc/59/43/77/656594377.db2.gz XUIORKXJHHJLMR-RUXDESIVSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999494907 656630990 /nfs/dbraw/zinc/63/09/90/656630990.db2.gz JDTXOCLOBJQLLC-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999494907 656630995 /nfs/dbraw/zinc/63/09/95/656630995.db2.gz JDTXOCLOBJQLLC-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000913524020 657493460 /nfs/dbraw/zinc/49/34/60/657493460.db2.gz WQRVJJVDPZIZEN-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001016330777 657689558 /nfs/dbraw/zinc/68/95/58/657689558.db2.gz VHGGHTCYULQWRV-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168724 657868100 /nfs/dbraw/zinc/86/81/00/657868100.db2.gz SLGOZLOFYSYMEN-IOSBVQAASA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020250553 658031311 /nfs/dbraw/zinc/03/13/11/658031311.db2.gz IGHQLUJHBYNRID-LPWJVIDDSA-N 2 1 292.383 -0.805 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020250553 658031314 /nfs/dbraw/zinc/03/13/14/658031314.db2.gz IGHQLUJHBYNRID-LPWJVIDDSA-N 2 1 292.383 -0.805 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020250551 658031658 /nfs/dbraw/zinc/03/16/58/658031658.db2.gz IGHQLUJHBYNRID-CYDGBPFRSA-N 2 1 292.383 -0.805 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020250551 658031664 /nfs/dbraw/zinc/03/16/64/658031664.db2.gz IGHQLUJHBYNRID-CYDGBPFRSA-N 2 1 292.383 -0.805 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020251535 658031695 /nfs/dbraw/zinc/03/16/95/658031695.db2.gz RUFNFKKJDOMYMD-AVGNSLFASA-N 2 1 265.357 -0.687 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020251535 658031700 /nfs/dbraw/zinc/03/17/00/658031700.db2.gz RUFNFKKJDOMYMD-AVGNSLFASA-N 2 1 265.357 -0.687 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001020250854 658031808 /nfs/dbraw/zinc/03/18/08/658031808.db2.gz UUGMJCHJQACDKO-IHRRRGAJSA-N 2 1 259.353 -0.046 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001020250854 658031816 /nfs/dbraw/zinc/03/18/16/658031816.db2.gz UUGMJCHJQACDKO-IHRRRGAJSA-N 2 1 259.353 -0.046 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503975 658311953 /nfs/dbraw/zinc/31/19/53/658311953.db2.gz NDKQBWGWIFCEQD-MNOVXSKESA-N 2 1 268.361 -0.085 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503978 658312066 /nfs/dbraw/zinc/31/20/66/658312066.db2.gz NDKQBWGWIFCEQD-WDEREUQCSA-N 2 1 268.361 -0.085 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000928648930 659057416 /nfs/dbraw/zinc/05/74/16/659057416.db2.gz VJLYFRJZGUDLBR-TZMCWYRMSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000928648930 659057421 /nfs/dbraw/zinc/05/74/21/659057421.db2.gz VJLYFRJZGUDLBR-TZMCWYRMSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC1(O)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000931150773 659387742 /nfs/dbraw/zinc/38/77/42/659387742.db2.gz IYJLUSKLFUFGAO-UHFFFAOYSA-N 2 1 279.384 -0.389 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995924650 659920015 /nfs/dbraw/zinc/92/00/15/659920015.db2.gz QNCKAOISVQEWEM-KBPBESRZSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995924650 659920019 /nfs/dbraw/zinc/92/00/19/659920019.db2.gz QNCKAOISVQEWEM-KBPBESRZSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900125 814924529 /nfs/dbraw/zinc/92/45/29/814924529.db2.gz HZVPPUNUYJRHGJ-STQMWFEESA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174134 805848554 /nfs/dbraw/zinc/84/85/54/805848554.db2.gz CFNYNXCVDNUCKS-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174134 805848567 /nfs/dbraw/zinc/84/85/67/805848567.db2.gz CFNYNXCVDNUCKS-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174134 805848577 /nfs/dbraw/zinc/84/85/77/805848577.db2.gz CFNYNXCVDNUCKS-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475017 806337982 /nfs/dbraw/zinc/33/79/82/806337982.db2.gz MGZPNITUBODXRW-YJNKXOJESA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475017 806337991 /nfs/dbraw/zinc/33/79/91/806337991.db2.gz MGZPNITUBODXRW-YJNKXOJESA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475017 806338000 /nfs/dbraw/zinc/33/80/00/806338000.db2.gz MGZPNITUBODXRW-YJNKXOJESA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953971 806466818 /nfs/dbraw/zinc/46/68/18/806466818.db2.gz FRQPJSYYPNDIIH-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953971 806466825 /nfs/dbraw/zinc/46/68/25/806466825.db2.gz FRQPJSYYPNDIIH-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953971 806466831 /nfs/dbraw/zinc/46/68/31/806466831.db2.gz FRQPJSYYPNDIIH-MJBXVCDLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083952592 806466884 /nfs/dbraw/zinc/46/68/84/806466884.db2.gz PKGJLOCGQDQEGB-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083952592 806466889 /nfs/dbraw/zinc/46/68/89/806466889.db2.gz PKGJLOCGQDQEGB-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083952592 806466893 /nfs/dbraw/zinc/46/68/93/806466893.db2.gz PKGJLOCGQDQEGB-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083952592 806466896 /nfs/dbraw/zinc/46/68/96/806466896.db2.gz PKGJLOCGQDQEGB-XQQFMLRXSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959573 806470955 /nfs/dbraw/zinc/47/09/55/806470955.db2.gz ZBZDYYHEHKEGJW-OLZOCXBDSA-N 2 1 277.368 -0.733 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053540 806480384 /nfs/dbraw/zinc/48/03/84/806480384.db2.gz BDJJFTIIYPIQJA-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053540 806480387 /nfs/dbraw/zinc/48/03/87/806480387.db2.gz BDJJFTIIYPIQJA-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053540 806480391 /nfs/dbraw/zinc/48/03/91/806480391.db2.gz BDJJFTIIYPIQJA-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053874 806482296 /nfs/dbraw/zinc/48/22/96/806482296.db2.gz OAXFSFQAAKRJDS-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053874 806482298 /nfs/dbraw/zinc/48/22/98/806482298.db2.gz OAXFSFQAAKRJDS-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053874 806482299 /nfs/dbraw/zinc/48/22/99/806482299.db2.gz OAXFSFQAAKRJDS-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053874 806482301 /nfs/dbraw/zinc/48/23/01/806482301.db2.gz OAXFSFQAAKRJDS-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001025814054 798979037 /nfs/dbraw/zinc/97/90/37/798979037.db2.gz JZARMFYXSSOAIW-MRLBHPIUSA-N 2 1 291.395 -0.489 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001025814054 798979043 /nfs/dbraw/zinc/97/90/43/798979043.db2.gz JZARMFYXSSOAIW-MRLBHPIUSA-N 2 1 291.395 -0.489 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)O)C[C@H]21 ZINC001025814054 798979047 /nfs/dbraw/zinc/97/90/47/798979047.db2.gz JZARMFYXSSOAIW-MRLBHPIUSA-N 2 1 291.395 -0.489 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)O)C[C@H]21 ZINC001025814054 798979052 /nfs/dbraw/zinc/97/90/52/798979052.db2.gz JZARMFYXSSOAIW-MRLBHPIUSA-N 2 1 291.395 -0.489 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461109 799139786 /nfs/dbraw/zinc/13/97/86/799139786.db2.gz JZGBMFWNXSARGA-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461109 799139792 /nfs/dbraw/zinc/13/97/92/799139792.db2.gz JZGBMFWNXSARGA-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461109 799139797 /nfs/dbraw/zinc/13/97/97/799139797.db2.gz JZGBMFWNXSARGA-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461109 799139800 /nfs/dbraw/zinc/13/98/00/799139800.db2.gz JZGBMFWNXSARGA-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629250 799155854 /nfs/dbraw/zinc/15/58/54/799155854.db2.gz HXIYXAPQBLMTFY-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629250 799155857 /nfs/dbraw/zinc/15/58/57/799155857.db2.gz HXIYXAPQBLMTFY-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629250 799155860 /nfs/dbraw/zinc/15/58/60/799155860.db2.gz HXIYXAPQBLMTFY-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629250 799155862 /nfs/dbraw/zinc/15/58/62/799155862.db2.gz HXIYXAPQBLMTFY-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001033161089 799722398 /nfs/dbraw/zinc/72/23/98/799722398.db2.gz JPDOZQAZPGWYND-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033161089 799722404 /nfs/dbraw/zinc/72/24/04/799722404.db2.gz JPDOZQAZPGWYND-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCO)C1 ZINC001033161089 799722411 /nfs/dbraw/zinc/72/24/11/799722411.db2.gz JPDOZQAZPGWYND-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCO)C1 ZINC001033161089 799722415 /nfs/dbraw/zinc/72/24/15/799722415.db2.gz JPDOZQAZPGWYND-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038142794 800062277 /nfs/dbraw/zinc/06/22/77/800062277.db2.gz QEXRRCCGSXSKLC-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038142794 800062288 /nfs/dbraw/zinc/06/22/88/800062288.db2.gz QEXRRCCGSXSKLC-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038396643 800105175 /nfs/dbraw/zinc/10/51/75/800105175.db2.gz SVQXBDGHBHNTIT-FRRDWIJNSA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047529048 801895743 /nfs/dbraw/zinc/89/57/43/801895743.db2.gz OAHWIPMQWKNJKM-KBPBESRZSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047528000 801895944 /nfs/dbraw/zinc/89/59/44/801895944.db2.gz LFCPUBGFOCSQRS-RDBSUJKOSA-N 2 1 279.384 -0.393 20 30 CBEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598369 801909207 /nfs/dbraw/zinc/90/92/07/801909207.db2.gz JLCGMPKGWOQCQL-STQMWFEESA-N 2 1 279.384 -0.228 20 30 CBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598369 801909212 /nfs/dbraw/zinc/90/92/12/801909212.db2.gz JLCGMPKGWOQCQL-STQMWFEESA-N 2 1 279.384 -0.228 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047628471 801913007 /nfs/dbraw/zinc/91/30/07/801913007.db2.gz GJXHDEWPSKJKDT-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047628471 801913014 /nfs/dbraw/zinc/91/30/14/801913014.db2.gz GJXHDEWPSKJKDT-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047628471 801913025 /nfs/dbraw/zinc/91/30/25/801913025.db2.gz GJXHDEWPSKJKDT-RDBSUJKOSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047630446 801913722 /nfs/dbraw/zinc/91/37/22/801913722.db2.gz RERXMWKRKUSHKN-KBPBESRZSA-N 2 1 290.367 -0.282 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047630446 801913729 /nfs/dbraw/zinc/91/37/29/801913729.db2.gz RERXMWKRKUSHKN-KBPBESRZSA-N 2 1 290.367 -0.282 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047626857 801914311 /nfs/dbraw/zinc/91/43/11/801914311.db2.gz HSCOREGUSVLFMC-AVGNSLFASA-N 2 1 265.357 -0.925 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047626857 801914316 /nfs/dbraw/zinc/91/43/16/801914316.db2.gz HSCOREGUSVLFMC-AVGNSLFASA-N 2 1 265.357 -0.925 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047626857 801914322 /nfs/dbraw/zinc/91/43/22/801914322.db2.gz HSCOREGUSVLFMC-AVGNSLFASA-N 2 1 265.357 -0.925 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047626857 801914324 /nfs/dbraw/zinc/91/43/24/801914324.db2.gz HSCOREGUSVLFMC-AVGNSLFASA-N 2 1 265.357 -0.925 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048869613 801975491 /nfs/dbraw/zinc/97/54/91/801975491.db2.gz AVPYJQXBMMKHBS-ZNMIVQPWSA-N 2 1 291.395 -0.534 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048869613 801975495 /nfs/dbraw/zinc/97/54/95/801975495.db2.gz AVPYJQXBMMKHBS-ZNMIVQPWSA-N 2 1 291.395 -0.534 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048869613 801975499 /nfs/dbraw/zinc/97/54/99/801975499.db2.gz AVPYJQXBMMKHBS-ZNMIVQPWSA-N 2 1 291.395 -0.534 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)C[C@@H]2C1 ZINC001048869613 801975503 /nfs/dbraw/zinc/97/55/03/801975503.db2.gz AVPYJQXBMMKHBS-ZNMIVQPWSA-N 2 1 291.395 -0.534 20 30 CBEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001323111997 803978424 /nfs/dbraw/zinc/97/84/24/803978424.db2.gz FDSXYCYLJFQDSV-UONOGXRCSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001323111997 803978429 /nfs/dbraw/zinc/97/84/29/803978429.db2.gz FDSXYCYLJFQDSV-UONOGXRCSA-N 2 1 279.384 -0.175 20 30 CBEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001325307921 804274614 /nfs/dbraw/zinc/27/46/14/804274614.db2.gz IJKMMVVXEQIZTB-GFCCVEGCSA-N 2 1 267.373 -0.323 20 30 CBEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001325307921 804274617 /nfs/dbraw/zinc/27/46/17/804274617.db2.gz IJKMMVVXEQIZTB-GFCCVEGCSA-N 2 1 267.373 -0.323 20 30 CBEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587098 815036752 /nfs/dbraw/zinc/03/67/52/815036752.db2.gz DOZSMFLUNYFRBV-CQSZACIVSA-N 2 1 299.415 -0.042 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049233 815053486 /nfs/dbraw/zinc/05/34/86/815053486.db2.gz KONODELYFSNZIZ-LBPRGKRZSA-N 2 1 253.346 -0.706 20 30 CBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151058175 815054242 /nfs/dbraw/zinc/05/42/42/815054242.db2.gz XCWGPOYEFPYOCV-CHWSQXEVSA-N 2 1 294.399 -0.569 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151140816 815064000 /nfs/dbraw/zinc/06/40/00/815064000.db2.gz GWTPIFXVHLRUQQ-UHFFFAOYSA-N 2 1 279.344 -0.800 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001075123302 805483628 /nfs/dbraw/zinc/48/36/28/805483628.db2.gz FPRVQYUITNFQIX-MELADBBJSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001075123302 805483631 /nfs/dbraw/zinc/48/36/31/805483631.db2.gz FPRVQYUITNFQIX-MELADBBJSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151740645 815090826 /nfs/dbraw/zinc/09/08/26/815090826.db2.gz WKPOGVPOQKQRHF-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151740645 815090832 /nfs/dbraw/zinc/09/08/32/815090832.db2.gz WKPOGVPOQKQRHF-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152445222 815123267 /nfs/dbraw/zinc/12/32/67/815123267.db2.gz DUSMEPKSBDSHFZ-CYBMUJFWSA-N 2 1 296.415 -0.131 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086332138 810261656 /nfs/dbraw/zinc/26/16/56/810261656.db2.gz UKUKMBCKGNGJQQ-JHJVBQTASA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086332138 810261659 /nfs/dbraw/zinc/26/16/59/810261659.db2.gz UKUKMBCKGNGJQQ-JHJVBQTASA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)CC1 ZINC001089059996 810376515 /nfs/dbraw/zinc/37/65/15/810376515.db2.gz MQELXCHVFVRPFX-HIFRSBDPSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090391164 810490575 /nfs/dbraw/zinc/49/05/75/810490575.db2.gz AYUDRCFXOZOGCC-KBPBESRZSA-N 2 1 291.395 -0.201 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090391164 810490580 /nfs/dbraw/zinc/49/05/80/810490580.db2.gz AYUDRCFXOZOGCC-KBPBESRZSA-N 2 1 291.395 -0.201 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729999 810558851 /nfs/dbraw/zinc/55/88/51/810558851.db2.gz DIABUFUEWUCCPV-UONOGXRCSA-N 2 1 291.395 -0.343 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731625 810559991 /nfs/dbraw/zinc/55/99/91/810559991.db2.gz UBPCEWANPHWWIP-UONOGXRCSA-N 2 1 291.395 -0.343 20 30 CBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466576 810846466 /nfs/dbraw/zinc/84/64/66/810846466.db2.gz MDTCJGZSNVBUSI-UHFFFAOYSA-N 2 1 281.400 -0.143 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099898860 810963445 /nfs/dbraw/zinc/96/34/45/810963445.db2.gz IYCYPZJUSVQSKO-STQMWFEESA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099898860 810963446 /nfs/dbraw/zinc/96/34/46/810963446.db2.gz IYCYPZJUSVQSKO-STQMWFEESA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898860 810963453 /nfs/dbraw/zinc/96/34/53/810963453.db2.gz IYCYPZJUSVQSKO-STQMWFEESA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898860 810963458 /nfs/dbraw/zinc/96/34/58/810963458.db2.gz IYCYPZJUSVQSKO-STQMWFEESA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971301 810979433 /nfs/dbraw/zinc/97/94/33/810979433.db2.gz FIBWXJIPUZNQAW-UONOGXRCSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972545 810981710 /nfs/dbraw/zinc/98/17/10/810981710.db2.gz YKEYADAHEZLZNT-UONOGXRCSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986289 810983454 /nfs/dbraw/zinc/98/34/54/810983454.db2.gz IROHSXLUILOTCN-NWDGAFQWSA-N 2 1 255.362 -0.325 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989515 810986421 /nfs/dbraw/zinc/98/64/21/810986421.db2.gz RRYHLOWBMFBILB-QWHCGFSZSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073761 811013855 /nfs/dbraw/zinc/01/38/55/811013855.db2.gz GQMUDJSQADQOHW-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758913 811077626 /nfs/dbraw/zinc/07/76/26/811077626.db2.gz VDDCPJLXYQIUKD-UHFFFAOYSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105978271 811283710 /nfs/dbraw/zinc/28/37/10/811283710.db2.gz GRDYTDHHQJAASU-MCIONIFRSA-N 2 1 279.384 -0.366 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105978271 811283717 /nfs/dbraw/zinc/28/37/17/811283717.db2.gz GRDYTDHHQJAASU-MCIONIFRSA-N 2 1 279.384 -0.366 20 30 CBEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320199349 817288668 /nfs/dbraw/zinc/28/86/68/817288668.db2.gz BGUPXOGBCPEJAY-VXGBXAGGSA-N 2 1 255.362 -0.277 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001124078348 813402584 /nfs/dbraw/zinc/40/25/84/813402584.db2.gz KROWZHQDQYJIAN-UHFFFAOYSA-N 2 1 282.388 -0.616 20 30 CBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001124877597 813493633 /nfs/dbraw/zinc/49/36/33/813493633.db2.gz HCDNBGPLXXXLQL-CHWSQXEVSA-N 2 1 294.399 -0.427 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780537 813748663 /nfs/dbraw/zinc/74/86/63/813748663.db2.gz ZQAHHKLUYRJMCV-ZIAGYGMSSA-N 2 1 295.383 -0.795 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779276 813748717 /nfs/dbraw/zinc/74/87/17/813748717.db2.gz KPIJFPKLONUYFB-NEPJUHHUSA-N 2 1 251.330 -0.811 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785965 813749577 /nfs/dbraw/zinc/74/95/77/813749577.db2.gz SACAQAOXOHERHK-KGLIPLIRSA-N 2 1 297.399 -0.242 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129224164 813825356 /nfs/dbraw/zinc/82/53/56/813825356.db2.gz XKBTYZREJSNNOX-OLZOCXBDSA-N 2 1 292.387 -0.243 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129224164 813825365 /nfs/dbraw/zinc/82/53/65/813825365.db2.gz XKBTYZREJSNNOX-OLZOCXBDSA-N 2 1 292.387 -0.243 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387731 813840094 /nfs/dbraw/zinc/84/00/94/813840094.db2.gz YGWKLWGQRQYQSY-CYBMUJFWSA-N 2 1 277.372 -0.458 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001129771102 813864001 /nfs/dbraw/zinc/86/40/01/813864001.db2.gz QVLBLFQUHNDLDF-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001129771102 813864009 /nfs/dbraw/zinc/86/40/09/813864009.db2.gz QVLBLFQUHNDLDF-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCOC ZINC001129771120 813865005 /nfs/dbraw/zinc/86/50/05/813865005.db2.gz RNGPKXAQZLWXQQ-AWEZNQCLSA-N 2 1 297.399 -0.547 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCOC ZINC001129771120 813865016 /nfs/dbraw/zinc/86/50/16/813865016.db2.gz RNGPKXAQZLWXQQ-AWEZNQCLSA-N 2 1 297.399 -0.547 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129842313 813870895 /nfs/dbraw/zinc/87/08/95/813870895.db2.gz WDLQYYUSCYHUMP-CYBMUJFWSA-N 2 1 294.399 -0.684 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130303554 813924129 /nfs/dbraw/zinc/92/41/29/813924129.db2.gz DCOFVLAMFGGJIT-CHWSQXEVSA-N 2 1 294.399 -0.686 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130298217 813925575 /nfs/dbraw/zinc/92/55/75/813925575.db2.gz YLSGBGHMWCLVSP-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522248 814037422 /nfs/dbraw/zinc/03/74/22/814037422.db2.gz YTWBQRRQPJDPSB-JVWICGRDSA-N 2 1 277.368 -0.421 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133820061 814299965 /nfs/dbraw/zinc/29/99/65/814299965.db2.gz XBEBHOBTBMFFKH-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133831015 814303528 /nfs/dbraw/zinc/30/35/28/814303528.db2.gz GNMDZTIAAYGWOV-LBPRGKRZSA-N 2 1 282.388 -0.521 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849619 814308473 /nfs/dbraw/zinc/30/84/73/814308473.db2.gz AQCSTRJQVWHVEF-QWHCGFSZSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133854066 814311377 /nfs/dbraw/zinc/31/13/77/814311377.db2.gz WLAQLVFJPHCMOJ-LBPRGKRZSA-N 2 1 282.388 -0.664 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133868109 814313731 /nfs/dbraw/zinc/31/37/31/814313731.db2.gz ZEZQXTRTOIUXNU-RYUDHWBXSA-N 2 1 282.388 -0.808 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133873082 814316502 /nfs/dbraw/zinc/31/65/02/814316502.db2.gz MVMGXTXBTWXOLP-UHFFFAOYSA-N 2 1 296.415 -0.274 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850820 815680082 /nfs/dbraw/zinc/68/00/82/815680082.db2.gz INAPBWQMUYVDQZ-ZIAGYGMSSA-N 2 1 297.399 -0.549 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850820 815680086 /nfs/dbraw/zinc/68/00/86/815680086.db2.gz INAPBWQMUYVDQZ-ZIAGYGMSSA-N 2 1 297.399 -0.549 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161226393 815730035 /nfs/dbraw/zinc/73/00/35/815730035.db2.gz GMGCZCYWPMIQCR-UHFFFAOYSA-N 2 1 296.415 -0.438 20 30 CBEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001316967297 816908210 /nfs/dbraw/zinc/90/82/10/816908210.db2.gz YQTTVUMQACZELP-OAHLLOKOSA-N 2 1 292.427 -0.162 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317118516 816934655 /nfs/dbraw/zinc/93/46/55/816934655.db2.gz SZYICGPSMIIKLF-FRRDWIJNSA-N 2 1 294.399 -0.380 20 30 CBEDMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317578215 817019205 /nfs/dbraw/zinc/01/92/05/817019205.db2.gz HRWRFCAXOKCGCB-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317578215 817019214 /nfs/dbraw/zinc/01/92/14/817019214.db2.gz HRWRFCAXOKCGCB-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320199347 817288359 /nfs/dbraw/zinc/28/83/59/817288359.db2.gz BGUPXOGBCPEJAY-RYUDHWBXSA-N 2 1 255.362 -0.277 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320296670 817318216 /nfs/dbraw/zinc/31/82/16/817318216.db2.gz VCAKXJVCUDTLNW-QWHCGFSZSA-N 2 1 267.373 -0.582 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320296667 817318361 /nfs/dbraw/zinc/31/83/61/817318361.db2.gz VCAKXJVCUDTLNW-CHWSQXEVSA-N 2 1 267.373 -0.582 20 30 CBEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001320372898 817329190 /nfs/dbraw/zinc/32/91/90/817329190.db2.gz RSPOOXCRSIGFDT-CHWSQXEVSA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001320573095 817357292 /nfs/dbraw/zinc/35/72/92/817357292.db2.gz AGMKDZUAAIVEHR-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940491 819871359 /nfs/dbraw/zinc/87/13/59/819871359.db2.gz MACPNLRGWIHUMZ-ZDUSSCGKSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940491 819871370 /nfs/dbraw/zinc/87/13/70/819871370.db2.gz MACPNLRGWIHUMZ-ZDUSSCGKSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164539124 819924355 /nfs/dbraw/zinc/92/43/55/819924355.db2.gz SNGZPBHECUADET-ZDUSSCGKSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626251 820008794 /nfs/dbraw/zinc/00/87/94/820008794.db2.gz CQPXHKFSIQJZNY-CYBMUJFWSA-N 2 1 294.399 -0.684 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171216398 820351927 /nfs/dbraw/zinc/35/19/27/820351927.db2.gz HXJXTRUENVCFNO-ZDUSSCGKSA-N 2 1 294.399 -0.827 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176096489 820440578 /nfs/dbraw/zinc/44/05/78/820440578.db2.gz SDWWFMYLMQTBHD-STQMWFEESA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971524 820485155 /nfs/dbraw/zinc/48/51/55/820485155.db2.gz BJMJWYMFJUFQQT-UHFFFAOYSA-N 2 1 282.388 -0.828 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183361032 820991055 /nfs/dbraw/zinc/99/10/55/820991055.db2.gz CZRRFPRKBBBQRW-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183361032 820991059 /nfs/dbraw/zinc/99/10/59/820991059.db2.gz CZRRFPRKBBBQRW-KGLIPLIRSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576789 821007144 /nfs/dbraw/zinc/00/71/44/821007144.db2.gz TYGORPDQKJQBON-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576789 821007134 /nfs/dbraw/zinc/00/71/34/821007134.db2.gz TYGORPDQKJQBON-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001279885801 828341917 /nfs/dbraw/zinc/34/19/17/828341917.db2.gz DAEXGVKGEJUKFK-CQSZACIVSA-N 2 1 281.400 -0.238 20 30 CBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001280668377 828371043 /nfs/dbraw/zinc/37/10/43/828371043.db2.gz LWHBJALNBUYKLP-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+](C)CCOCCNC(=O)C[NH+]1CCCC1 ZINC001283424676 828518409 /nfs/dbraw/zinc/51/84/09/828518409.db2.gz KSNGYNYIKMLVEJ-UHFFFAOYSA-N 2 1 267.373 -0.220 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283805123 828550617 /nfs/dbraw/zinc/55/06/17/828550617.db2.gz QIBQITYNTUBUGB-WFASDCNBSA-N 2 1 299.390 -0.101 20 30 CBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192142004 823953894 /nfs/dbraw/zinc/95/38/94/823953894.db2.gz GEWKMARSXJTLDC-CYBMUJFWSA-N 2 1 296.415 -0.227 20 30 CBEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192142004 823953896 /nfs/dbraw/zinc/95/38/96/823953896.db2.gz GEWKMARSXJTLDC-CYBMUJFWSA-N 2 1 296.415 -0.227 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791406 824046456 /nfs/dbraw/zinc/04/64/56/824046456.db2.gz LVBKIDUOORVOMB-MCIONIFRSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791406 824046458 /nfs/dbraw/zinc/04/64/58/824046458.db2.gz LVBKIDUOORVOMB-MCIONIFRSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960881 824053551 /nfs/dbraw/zinc/05/35/51/824053551.db2.gz GSXWVCIBLGIAEX-MCIONIFRSA-N 2 1 281.400 -0.243 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960881 824053553 /nfs/dbraw/zinc/05/35/53/824053553.db2.gz GSXWVCIBLGIAEX-MCIONIFRSA-N 2 1 281.400 -0.243 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677008 824128271 /nfs/dbraw/zinc/12/82/71/824128271.db2.gz KWTAZBVCMSVHIO-CHWSQXEVSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677008 824128273 /nfs/dbraw/zinc/12/82/73/824128273.db2.gz KWTAZBVCMSVHIO-CHWSQXEVSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001197996933 824213741 /nfs/dbraw/zinc/21/37/41/824213741.db2.gz NYOAWRBZVPZJSL-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001197996933 824213750 /nfs/dbraw/zinc/21/37/50/824213750.db2.gz NYOAWRBZVPZJSL-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001197996933 824213757 /nfs/dbraw/zinc/21/37/57/824213757.db2.gz NYOAWRBZVPZJSL-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001197996933 824213763 /nfs/dbraw/zinc/21/37/63/824213763.db2.gz NYOAWRBZVPZJSL-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812368 824898381 /nfs/dbraw/zinc/89/83/81/824898381.db2.gz ZWKKAVTVZXMEIP-OLZOCXBDSA-N 2 1 265.357 -0.735 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219848846 824901166 /nfs/dbraw/zinc/90/11/66/824901166.db2.gz VBZITQUCBKYKPS-RDBSUJKOSA-N 2 1 281.400 -0.243 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219848846 824901168 /nfs/dbraw/zinc/90/11/68/824901168.db2.gz VBZITQUCBKYKPS-RDBSUJKOSA-N 2 1 281.400 -0.243 20 30 CBEDMP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)OCC ZINC001220571569 825065802 /nfs/dbraw/zinc/06/58/02/825065802.db2.gz URQRQEMRYRALAQ-PTRXPTGYSA-N 2 1 255.318 -0.714 20 30 CBEDMP C=C[C@H]1C[C@]1(NC(=O)C[NH2+]C1CC[NH2+]CC1)C(=O)OCC ZINC001220571498 825066527 /nfs/dbraw/zinc/06/65/27/825066527.db2.gz SISVIIMGZATZOA-XHDPSFHLSA-N 2 1 295.383 -0.048 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220831193 825109440 /nfs/dbraw/zinc/10/94/40/825109440.db2.gz SDEJJTHTLQNXFP-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220831193 825109443 /nfs/dbraw/zinc/10/94/43/825109443.db2.gz SDEJJTHTLQNXFP-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220831193 825109446 /nfs/dbraw/zinc/10/94/46/825109446.db2.gz SDEJJTHTLQNXFP-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220831193 825109450 /nfs/dbraw/zinc/10/94/50/825109450.db2.gz SDEJJTHTLQNXFP-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1(N)CC[NH2+]CC1 ZINC001220868197 825115181 /nfs/dbraw/zinc/11/51/81/825115181.db2.gz DUJNHFURJJOQFH-LBPRGKRZSA-N 2 1 266.389 -0.166 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220868449 825115617 /nfs/dbraw/zinc/11/56/17/825115617.db2.gz KIRWGNTZYVFTQZ-QJPTWQEYSA-N 2 1 253.346 -0.667 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220868410 825115842 /nfs/dbraw/zinc/11/58/42/825115842.db2.gz ILDRJHOALDAQFJ-ZKTNFTSUSA-N 2 1 287.429 -0.151 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220868410 825115837 /nfs/dbraw/zinc/11/58/37/825115837.db2.gz ILDRJHOALDAQFJ-ZKTNFTSUSA-N 2 1 287.429 -0.151 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220868703 825116544 /nfs/dbraw/zinc/11/65/44/825116544.db2.gz PJHGXMMZBUQCCC-STQMWFEESA-N 2 1 294.399 -0.297 20 30 CBEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228991170 825326008 /nfs/dbraw/zinc/32/60/08/825326008.db2.gz DOGOSJKTSPLSPF-UHFFFAOYSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)C(=O)OC ZINC001245999739 825619810 /nfs/dbraw/zinc/61/98/10/825619810.db2.gz JSIGZYCEMZVQLK-QWRGUYRKSA-N 2 1 288.344 -0.663 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019870 825622846 /nfs/dbraw/zinc/62/28/46/825622846.db2.gz AUYZLJFOLJXEFR-IHRRRGAJSA-N 2 1 269.389 -0.424 20 30 CBEDMP C=CCOC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019870 825622853 /nfs/dbraw/zinc/62/28/53/825622853.db2.gz AUYZLJFOLJXEFR-IHRRRGAJSA-N 2 1 269.389 -0.424 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246019774 825623139 /nfs/dbraw/zinc/62/31/39/825623139.db2.gz HUXFUCHHYMHMEX-GHMZBOCLSA-N 2 1 262.300 -0.087 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246019774 825623145 /nfs/dbraw/zinc/62/31/45/825623145.db2.gz HUXFUCHHYMHMEX-GHMZBOCLSA-N 2 1 262.300 -0.087 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246025498 825626133 /nfs/dbraw/zinc/62/61/33/825626133.db2.gz YNYGFVFYEXHNIL-QWHCGFSZSA-N 2 1 258.362 -0.274 20 30 CBEDMP C=C[C@](C)(O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246052032 825630653 /nfs/dbraw/zinc/63/06/53/825630653.db2.gz AJNIKUKCWOXTEF-ZDUSSCGKSA-N 2 1 256.394 -0.992 20 30 CBEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246554473 825685070 /nfs/dbraw/zinc/68/50/70/825685070.db2.gz VGIMOPJCDWQFMO-RWMBFGLXSA-N 2 1 252.362 -0.194 20 30 CBEDMP N#C[C@@H]1C[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246620307 825697103 /nfs/dbraw/zinc/69/71/03/825697103.db2.gz XWUYCSZOAZIXMT-XUXIUFHCSA-N 2 1 263.389 -0.344 20 30 CBEDMP N#C[C@@H]1C[C@H]([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246859356 825723759 /nfs/dbraw/zinc/72/37/59/825723759.db2.gz KGVFQWASVJOBSK-KZKMVBDOSA-N 2 1 250.346 -0.464 20 30 CBEDMP C#CCOC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001251840753 825793503 /nfs/dbraw/zinc/79/35/03/825793503.db2.gz UTDUFIMTBNMBQE-HZSPNIEDSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001251840753 825793508 /nfs/dbraw/zinc/79/35/08/825793508.db2.gz UTDUFIMTBNMBQE-HZSPNIEDSA-N 2 1 252.358 -0.119 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001251840753 825793512 /nfs/dbraw/zinc/79/35/12/825793512.db2.gz UTDUFIMTBNMBQE-HZSPNIEDSA-N 2 1 252.358 -0.119 20 30 CBEDMP C=C[C@](C)(O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252576072 825876257 /nfs/dbraw/zinc/87/62/57/825876257.db2.gz IECVJPSUJMXCFO-ZDUSSCGKSA-N 2 1 255.362 -0.323 20 30 CBEDMP C#CCOCCOCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253409687 825915050 /nfs/dbraw/zinc/91/50/50/825915050.db2.gz YPEYHEHNHGTQNJ-ZDUSSCGKSA-N 2 1 272.389 -0.009 20 30 CBEDMP C=C[C@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001253580882 825917972 /nfs/dbraw/zinc/91/79/72/825917972.db2.gz AJWNMXGCZQYUMV-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001253580879 825917978 /nfs/dbraw/zinc/91/79/78/825917978.db2.gz AJWNMXGCZQYUMV-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265424107 826889856 /nfs/dbraw/zinc/88/98/56/826889856.db2.gz IMNDVSXEBFRHLR-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265424107 826889866 /nfs/dbraw/zinc/88/98/66/826889866.db2.gz IMNDVSXEBFRHLR-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265789984 826918639 /nfs/dbraw/zinc/91/86/39/826918639.db2.gz CNJGDRDCOALWIY-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265947266 826942238 /nfs/dbraw/zinc/94/22/38/826942238.db2.gz BVHBGOIHTWCCNF-LBPRGKRZSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[NH+](C)CCCC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266271190 826969621 /nfs/dbraw/zinc/96/96/21/826969621.db2.gz IJOKQZRPVHHIIT-UHFFFAOYSA-N 2 1 295.431 -0.024 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001266358021 826988657 /nfs/dbraw/zinc/98/86/57/826988657.db2.gz KJRULQXHQUJTJY-ZDUSSCGKSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001266358021 826988661 /nfs/dbraw/zinc/98/86/61/826988661.db2.gz KJRULQXHQUJTJY-ZDUSSCGKSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001266362527 826992609 /nfs/dbraw/zinc/99/26/09/826992609.db2.gz KYHYECUONSNBET-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001266362527 826992616 /nfs/dbraw/zinc/99/26/16/826992616.db2.gz KYHYECUONSNBET-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362527 826992617 /nfs/dbraw/zinc/99/26/17/826992617.db2.gz KYHYECUONSNBET-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362527 826992623 /nfs/dbraw/zinc/99/26/23/826992623.db2.gz KYHYECUONSNBET-ZDUSSCGKSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266437642 827001380 /nfs/dbraw/zinc/00/13/80/827001380.db2.gz HKWHPSQNSCQBBN-ZDUSSCGKSA-N 2 1 294.399 -0.874 20 30 CBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266437642 827001384 /nfs/dbraw/zinc/00/13/84/827001384.db2.gz HKWHPSQNSCQBBN-ZDUSSCGKSA-N 2 1 294.399 -0.874 20 30 CBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266437642 827001395 /nfs/dbraw/zinc/00/13/95/827001395.db2.gz HKWHPSQNSCQBBN-ZDUSSCGKSA-N 2 1 294.399 -0.874 20 30 CBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266437642 827001405 /nfs/dbraw/zinc/00/14/05/827001405.db2.gz HKWHPSQNSCQBBN-ZDUSSCGKSA-N 2 1 294.399 -0.874 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001266561746 827022624 /nfs/dbraw/zinc/02/26/24/827022624.db2.gz DZUYFTAMDBTWTQ-ZDUSSCGKSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266626475 827035232 /nfs/dbraw/zinc/03/52/32/827035232.db2.gz LNORLLIJKQSZIK-HDJSIYSDSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266744908 827061747 /nfs/dbraw/zinc/06/17/47/827061747.db2.gz XBPKYMCRNSEIKK-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266930132 827089086 /nfs/dbraw/zinc/08/90/86/827089086.db2.gz OPJWRERWISBTSS-NEPJUHHUSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266930132 827089095 /nfs/dbraw/zinc/08/90/95/827089095.db2.gz OPJWRERWISBTSS-NEPJUHHUSA-N 2 1 253.346 -0.565 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266930383 827089216 /nfs/dbraw/zinc/08/92/16/827089216.db2.gz SWVVIWHDZDRTDU-STQMWFEESA-N 2 1 283.372 -0.939 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266930383 827089225 /nfs/dbraw/zinc/08/92/25/827089225.db2.gz SWVVIWHDZDRTDU-STQMWFEESA-N 2 1 283.372 -0.939 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267225990 827133840 /nfs/dbraw/zinc/13/38/40/827133840.db2.gz JQLZHNJIKJDUGY-QWHCGFSZSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267225990 827133844 /nfs/dbraw/zinc/13/38/44/827133844.db2.gz JQLZHNJIKJDUGY-QWHCGFSZSA-N 2 1 296.415 -0.488 20 30 CBEDMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001267800063 827222248 /nfs/dbraw/zinc/22/22/48/827222248.db2.gz MLDLYFTZZAGCPH-RYUDHWBXSA-N 2 1 295.387 -0.795 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268308064 827291692 /nfs/dbraw/zinc/29/16/92/827291692.db2.gz MPIZWIKRZGNMKP-JHJVBQTASA-N 2 1 267.373 -0.583 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268314809 827293992 /nfs/dbraw/zinc/29/39/92/827293992.db2.gz LSHVPXWUUCXUFH-NEPJUHHUSA-N 2 1 253.346 -0.829 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)CC[N@H+](C)CC ZINC001268329675 827304102 /nfs/dbraw/zinc/30/41/02/827304102.db2.gz WOJBJYCDPYOMTP-LBPRGKRZSA-N 2 1 255.362 -0.582 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268329423 827304897 /nfs/dbraw/zinc/30/48/97/827304897.db2.gz UEESXSZKAYLPGM-NEPJUHHUSA-N 2 1 255.362 -0.419 20 30 CBEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268355724 827314612 /nfs/dbraw/zinc/31/46/12/827314612.db2.gz ZIZWQEXFLJYBEB-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268355724 827314621 /nfs/dbraw/zinc/31/46/21/827314621.db2.gz ZIZWQEXFLJYBEB-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268422750 827325167 /nfs/dbraw/zinc/32/51/67/827325167.db2.gz HNFPMFAUCASSLO-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001268648781 827390944 /nfs/dbraw/zinc/39/09/44/827390944.db2.gz VYBPRBZUYXYVMR-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001268648781 827390952 /nfs/dbraw/zinc/39/09/52/827390952.db2.gz VYBPRBZUYXYVMR-OLZOCXBDSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001268655227 827393093 /nfs/dbraw/zinc/39/30/93/827393093.db2.gz GPVDWIIAZALWSC-LLVKDONJSA-N 2 1 291.355 -0.965 20 30 CBEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001268784539 827420902 /nfs/dbraw/zinc/42/09/02/827420902.db2.gz XDWZRJJAZPPBBZ-GFCCVEGCSA-N 2 1 295.387 -0.842 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001270594751 827581309 /nfs/dbraw/zinc/58/13/09/827581309.db2.gz JKWYELJBMHRJKC-CHWSQXEVSA-N 2 1 294.399 -0.971 20 30 CBEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271218878 827677311 /nfs/dbraw/zinc/67/73/11/827677311.db2.gz DNXHCDWWVBVTEM-GXTWGEPZSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271218878 827677312 /nfs/dbraw/zinc/67/73/12/827677312.db2.gz DNXHCDWWVBVTEM-GXTWGEPZSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271218878 827677315 /nfs/dbraw/zinc/67/73/15/827677315.db2.gz DNXHCDWWVBVTEM-GXTWGEPZSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001271931763 827735638 /nfs/dbraw/zinc/73/56/38/827735638.db2.gz GFMNYJSIEUUCRG-AWEZNQCLSA-N 2 1 292.427 -0.259 20 30 CBEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272388097 827789924 /nfs/dbraw/zinc/78/99/24/827789924.db2.gz AQDDFAMHNVPGHV-CHWSQXEVSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272388097 827789925 /nfs/dbraw/zinc/78/99/25/827789925.db2.gz AQDDFAMHNVPGHV-CHWSQXEVSA-N 2 1 285.388 -0.650 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272505806 827810615 /nfs/dbraw/zinc/81/06/15/827810615.db2.gz ZTDPVZHJMDANCP-RWMBFGLXSA-N 2 1 267.373 -0.583 20 30 CBEDMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275529708 828097766 /nfs/dbraw/zinc/09/77/66/828097766.db2.gz XGYXHRZZZBVKAY-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275529708 828097773 /nfs/dbraw/zinc/09/77/73/828097773.db2.gz XGYXHRZZZBVKAY-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275529708 828097782 /nfs/dbraw/zinc/09/77/82/828097782.db2.gz XGYXHRZZZBVKAY-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275529708 828097785 /nfs/dbraw/zinc/09/77/85/828097785.db2.gz XGYXHRZZZBVKAY-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275802408 828115704 /nfs/dbraw/zinc/11/57/04/828115704.db2.gz ZZTXJVWSBXGLAC-VXGBXAGGSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275802408 828115707 /nfs/dbraw/zinc/11/57/07/828115707.db2.gz ZZTXJVWSBXGLAC-VXGBXAGGSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275802408 828115709 /nfs/dbraw/zinc/11/57/09/828115709.db2.gz ZZTXJVWSBXGLAC-VXGBXAGGSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275802408 828115710 /nfs/dbraw/zinc/11/57/10/828115710.db2.gz ZZTXJVWSBXGLAC-VXGBXAGGSA-N 2 1 253.346 -0.613 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278742815 828279124 /nfs/dbraw/zinc/27/91/24/828279124.db2.gz GYCXLEGGPSPHKZ-OLZOCXBDSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278742815 828279126 /nfs/dbraw/zinc/27/91/26/828279126.db2.gz GYCXLEGGPSPHKZ-OLZOCXBDSA-N 2 1 285.388 -0.698 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001278768153 828284802 /nfs/dbraw/zinc/28/48/02/828284802.db2.gz PHDFPZNRRCOGTD-ZDUSSCGKSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001278768152 828285118 /nfs/dbraw/zinc/28/51/18/828285118.db2.gz PHDFPZNRRCOGTD-CYBMUJFWSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001279490599 828327168 /nfs/dbraw/zinc/32/71/68/828327168.db2.gz NTWGMSULTPPMLW-HIFRSBDPSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001279490599 828327176 /nfs/dbraw/zinc/32/71/76/828327176.db2.gz NTWGMSULTPPMLW-HIFRSBDPSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378073 884778345 /nfs/dbraw/zinc/77/83/45/884778345.db2.gz CZBAKJHWRNVSEI-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378073 884778361 /nfs/dbraw/zinc/77/83/61/884778361.db2.gz CZBAKJHWRNVSEI-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278821683 884820378 /nfs/dbraw/zinc/82/03/78/884820378.db2.gz MHFWSPQKAKBCAL-GXTWGEPZSA-N 2 1 267.373 -0.323 20 30 CBEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331787386 886980846 /nfs/dbraw/zinc/98/08/46/886980846.db2.gz IFKRLMYABBNHSE-CHWSQXEVSA-N 2 1 269.389 -0.029 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001332529049 887340491 /nfs/dbraw/zinc/34/04/91/887340491.db2.gz LTSUIVXXMWIVMI-NSHDSACASA-N 2 1 296.371 -0.055 20 30 CBEDMP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001333636474 887729082 /nfs/dbraw/zinc/72/90/82/887729082.db2.gz UBXZAGRLMFRZNO-AWEZNQCLSA-N 2 1 278.400 -0.649 20 30 CBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001333636474 887729107 /nfs/dbraw/zinc/72/91/07/887729107.db2.gz UBXZAGRLMFRZNO-AWEZNQCLSA-N 2 1 278.400 -0.649 20 30 CBEDMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC#CC[NH+](C)C ZINC001347143341 890416075 /nfs/dbraw/zinc/41/60/75/890416075.db2.gz PDITWUYBEFBEPR-STQMWFEESA-N 2 1 264.373 -0.944 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001403732868 902827683 /nfs/dbraw/zinc/82/76/83/902827683.db2.gz CCKLURVGGMVIIQ-NSHDSACASA-N 2 1 275.780 -0.099 20 30 CBEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001506917176 921642949 /nfs/dbraw/zinc/64/29/49/921642949.db2.gz KTMOGGKKVQXQKQ-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001506917176 921642953 /nfs/dbraw/zinc/64/29/53/921642953.db2.gz KTMOGGKKVQXQKQ-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001506917174 921643239 /nfs/dbraw/zinc/64/32/39/921643239.db2.gz KTMOGGKKVQXQKQ-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001506917174 921643247 /nfs/dbraw/zinc/64/32/47/921643247.db2.gz KTMOGGKKVQXQKQ-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC001479621288 916140504 /nfs/dbraw/zinc/14/05/04/916140504.db2.gz VQLZCQRLCFXPCL-UHFFFAOYSA-N 2 1 296.415 -0.351 20 30 CBEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001479941426 916220727 /nfs/dbraw/zinc/22/07/27/916220727.db2.gz OTHWHTYIJJEKER-CQSZACIVSA-N 2 1 280.416 -0.142 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#CCOC ZINC001480478871 916437004 /nfs/dbraw/zinc/43/70/04/916437004.db2.gz AKNBUJAOYYCFAS-CABCVRRESA-N 2 1 291.395 -0.172 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#CCOC ZINC001480478871 916437012 /nfs/dbraw/zinc/43/70/12/916437012.db2.gz AKNBUJAOYYCFAS-CABCVRRESA-N 2 1 291.395 -0.172 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481874211 917012420 /nfs/dbraw/zinc/01/24/20/917012420.db2.gz FSUIZYNTJYXGMJ-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001482624995 917185047 /nfs/dbraw/zinc/18/50/47/917185047.db2.gz FEXKCYAUGYVBIN-CYBMUJFWSA-N 2 1 296.415 -0.534 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001482624995 917185058 /nfs/dbraw/zinc/18/50/58/917185058.db2.gz FEXKCYAUGYVBIN-CYBMUJFWSA-N 2 1 296.415 -0.534 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482967709 917350731 /nfs/dbraw/zinc/35/07/31/917350731.db2.gz XEVQWYHRPKLQJZ-CYBMUJFWSA-N 2 1 296.415 -0.322 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483217090 917472916 /nfs/dbraw/zinc/47/29/16/917472916.db2.gz MTEVWGKPKPJFTH-RYUDHWBXSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483217090 917472928 /nfs/dbraw/zinc/47/29/28/917472928.db2.gz MTEVWGKPKPJFTH-RYUDHWBXSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483217089 917474002 /nfs/dbraw/zinc/47/40/02/917474002.db2.gz MTEVWGKPKPJFTH-NWDGAFQWSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483217089 917474009 /nfs/dbraw/zinc/47/40/09/917474009.db2.gz MTEVWGKPKPJFTH-NWDGAFQWSA-N 2 1 255.362 -0.013 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCO ZINC001483236264 917487920 /nfs/dbraw/zinc/48/79/20/917487920.db2.gz CZWYBMZDYWCATD-RYUDHWBXSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCO ZINC001483236264 917487927 /nfs/dbraw/zinc/48/79/27/917487927.db2.gz CZWYBMZDYWCATD-RYUDHWBXSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001483567370 917594068 /nfs/dbraw/zinc/59/40/68/917594068.db2.gz KBQUYPFMXUUGQM-OLZOCXBDSA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001483567370 917594072 /nfs/dbraw/zinc/59/40/72/917594072.db2.gz KBQUYPFMXUUGQM-OLZOCXBDSA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001483793165 917681858 /nfs/dbraw/zinc/68/18/58/917681858.db2.gz WRKOERHQAAUHJE-ZDUSSCGKSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001483793165 917681864 /nfs/dbraw/zinc/68/18/64/917681864.db2.gz WRKOERHQAAUHJE-ZDUSSCGKSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484185991 917747360 /nfs/dbraw/zinc/74/73/60/917747360.db2.gz GTPDCXKGXBMSBZ-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001484250507 917791945 /nfs/dbraw/zinc/79/19/45/917791945.db2.gz HRDLKJVRUZPDRT-OAHLLOKOSA-N 2 1 290.367 -0.232 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001484250507 917791958 /nfs/dbraw/zinc/79/19/58/917791958.db2.gz HRDLKJVRUZPDRT-OAHLLOKOSA-N 2 1 290.367 -0.232 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001486008329 918301069 /nfs/dbraw/zinc/30/10/69/918301069.db2.gz IKVVRCJOONACDD-NEPJUHHUSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486008329 918301075 /nfs/dbraw/zinc/30/10/75/918301075.db2.gz IKVVRCJOONACDD-NEPJUHHUSA-N 2 1 253.346 -0.829 20 30 CBEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486268937 918400718 /nfs/dbraw/zinc/40/07/18/918400718.db2.gz WAUBYECIGOXBHT-OLZOCXBDSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486268937 918400723 /nfs/dbraw/zinc/40/07/23/918400723.db2.gz WAUBYECIGOXBHT-OLZOCXBDSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486348412 918446032 /nfs/dbraw/zinc/44/60/32/918446032.db2.gz ZRPBZYJDXKKKJP-LBPRGKRZSA-N 2 1 257.378 -0.125 20 30 CBEDMP COCC#CC[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001492857589 919441111 /nfs/dbraw/zinc/44/11/11/919441111.db2.gz PGPHFFGIBYNJHF-UHFFFAOYSA-N 2 1 267.373 -0.220 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497115073 920254279 /nfs/dbraw/zinc/25/42/79/920254279.db2.gz SWNCHEAIYPYPOK-NEPJUHHUSA-N 2 1 255.362 -0.419 20 30 CBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001499183363 920717879 /nfs/dbraw/zinc/71/78/79/920717879.db2.gz AZKFNYBUODRPPA-LBPRGKRZSA-N 2 1 294.399 -0.379 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500687009 920858601 /nfs/dbraw/zinc/85/86/01/920858601.db2.gz QELGJXUHZDVQRM-CQSZACIVSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500724875 920874117 /nfs/dbraw/zinc/87/41/17/920874117.db2.gz JAQUWHGUTQFNPW-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500724875 920874133 /nfs/dbraw/zinc/87/41/33/920874133.db2.gz JAQUWHGUTQFNPW-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500724875 920874145 /nfs/dbraw/zinc/87/41/45/920874145.db2.gz JAQUWHGUTQFNPW-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001507728812 921900170 /nfs/dbraw/zinc/90/01/70/921900170.db2.gz NTALEVNTYXQFGT-AWEZNQCLSA-N 2 1 292.383 -0.034 20 30 CBEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001507728812 921900180 /nfs/dbraw/zinc/90/01/80/921900180.db2.gz NTALEVNTYXQFGT-AWEZNQCLSA-N 2 1 292.383 -0.034 20 30 CBEDMP C[N@H+]1CCCN(CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303875730 352745222 /nfs/dbraw/zinc/74/52/22/352745222.db2.gz HRWZIETYSMRPKN-UHFFFAOYSA-N 2 1 269.393 -0.729 20 30 CBEDMP C[NH+](CC#CC[N@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000341911932 353218260 /nfs/dbraw/zinc/21/82/60/353218260.db2.gz OSXFYZHZEVCTPJ-UHFFFAOYSA-N 2 1 252.358 -0.100 20 30 CBEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619022 354250837 /nfs/dbraw/zinc/25/08/37/354250837.db2.gz YPJCRMQFJARVSR-ZDUSSCGKSA-N 2 1 294.399 -0.568 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000491392317 354456588 /nfs/dbraw/zinc/45/65/88/354456588.db2.gz BRCOZTVMEMWDHR-GFCCVEGCSA-N 2 1 252.362 -0.055 20 30 CBEDMP CC(=O)NCC[NH+](C)CC#CC[N@H+](C)CCNC(C)=O ZINC000572718797 354896109 /nfs/dbraw/zinc/89/61/09/354896109.db2.gz YSTQCXCSWGZURJ-UHFFFAOYSA-N 2 1 282.388 -0.874 20 30 CBEDMP CC(=O)NCC[NH+](C)CC#CC[N@@H+](C)CCNC(C)=O ZINC000572718797 354896112 /nfs/dbraw/zinc/89/61/12/354896112.db2.gz YSTQCXCSWGZURJ-UHFFFAOYSA-N 2 1 282.388 -0.874 20 30 CBEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000579731443 354979059 /nfs/dbraw/zinc/97/90/59/354979059.db2.gz ZISZNZXXUZBXIE-UPJWGTAASA-N 2 1 258.362 -0.141 20 30 CBEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000579731443 354979061 /nfs/dbraw/zinc/97/90/61/354979061.db2.gz ZISZNZXXUZBXIE-UPJWGTAASA-N 2 1 258.362 -0.141 20 30 CBEDMP C[NH+](C)CCCN(CCC#N)C(=O)CN1CC[NH+](C)CC1 ZINC000610424394 355777861 /nfs/dbraw/zinc/77/78/61/355777861.db2.gz ANSXYIBZWUECAP-UHFFFAOYSA-N 2 1 295.431 -0.072 20 30 CBEDMP C[NH+]=C(NCCn1cncn1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261830826 220245491 /nfs/dbraw/zinc/24/54/91/220245491.db2.gz VLGREZCDIFECSV-WCQYABFASA-N 2 1 291.403 -0.074 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COCCO1 ZINC000262011834 220247410 /nfs/dbraw/zinc/24/74/10/220247410.db2.gz UJMLPTQVGAPWKU-NWDGAFQWSA-N 2 1 270.377 -0.210 20 30 CBEDMP C[C@@H]1CN(C(=[NH2+])NC[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC000262469271 220251251 /nfs/dbraw/zinc/25/12/51/220251251.db2.gz OKXBTKXYCZLVEW-ZYHUDNBSSA-N 2 1 256.350 -0.912 20 30 CBEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCN(C(C)=O)CC1 ZINC000263252183 220261031 /nfs/dbraw/zinc/26/10/31/220261031.db2.gz PKDPHQAVIYIIKH-UHFFFAOYSA-N 2 1 281.404 -0.180 20 30 CBEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCN(C(C)=O)CC1 ZINC000263252183 220261034 /nfs/dbraw/zinc/26/10/34/220261034.db2.gz PKDPHQAVIYIIKH-UHFFFAOYSA-N 2 1 281.404 -0.180 20 30 CBEDMP C[NH+]=C(NCC(=O)NC(C)C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262786630 220257942 /nfs/dbraw/zinc/25/79/42/220257942.db2.gz MKWJUWUIVDXANT-NSHDSACASA-N 2 1 281.404 -0.087 20 30 CBEDMP C[NH+]=C(NCC(=O)NC(C)C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262786630 220257947 /nfs/dbraw/zinc/25/79/47/220257947.db2.gz MKWJUWUIVDXANT-NSHDSACASA-N 2 1 281.404 -0.087 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC1=CC[N@@H+](C)CC1 ZINC000263125375 220261604 /nfs/dbraw/zinc/26/16/04/220261604.db2.gz FJUBRKWUOOEZRL-UHFFFAOYSA-N 2 1 295.431 -0.255 20 30 CBEDMP Cn1cc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000264068708 220264528 /nfs/dbraw/zinc/26/45/28/220264528.db2.gz CIVJLROIRBXRQE-UHFFFAOYSA-N 2 1 294.403 -0.411 20 30 CBEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000329238935 220334192 /nfs/dbraw/zinc/33/41/92/220334192.db2.gz LOGJJFKPNWQJBA-QWHCGFSZSA-N 2 1 284.404 -0.007 20 30 CBEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000329238935 220334196 /nfs/dbraw/zinc/33/41/96/220334196.db2.gz LOGJJFKPNWQJBA-QWHCGFSZSA-N 2 1 284.404 -0.007 20 30 CBEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000236659778 419573529 /nfs/dbraw/zinc/57/35/29/419573529.db2.gz WALGFTALXOAPSN-LBPRGKRZSA-N 2 1 253.346 -0.259 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@H]2C[C@@H](OC)C2)CC1 ZINC000491182087 261364745 /nfs/dbraw/zinc/36/47/45/261364745.db2.gz YGOPXETWRDYOGH-OKILXGFUSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CCN1CCN(C(=O)CN(C)[C@H]2C[C@@H](OC)C2)CC1 ZINC000491182087 261364747 /nfs/dbraw/zinc/36/47/47/261364747.db2.gz YGOPXETWRDYOGH-OKILXGFUSA-N 2 1 279.384 -0.127 20 30 CBEDMP CCNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264081747 276145390 /nfs/dbraw/zinc/14/53/90/276145390.db2.gz ITUNNNUVOLRLKI-UHFFFAOYSA-N 2 1 291.403 -0.087 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(O)CCOCC1 ZINC000262005524 279303642 /nfs/dbraw/zinc/30/36/42/279303642.db2.gz RJHCNFHDAYLNHV-GFCCVEGCSA-N 2 1 284.404 -0.084 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000491381987 332201108 /nfs/dbraw/zinc/20/11/08/332201108.db2.gz HCHWUPPXLMOQCT-UHFFFAOYSA-N 2 1 281.404 -0.854 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH2+]CC1 ZINC000491569315 332240402 /nfs/dbraw/zinc/24/04/02/332240402.db2.gz VOJYTEYMNXHJRX-UHFFFAOYSA-N 2 1 252.362 -0.054 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491677505 332282543 /nfs/dbraw/zinc/28/25/43/332282543.db2.gz YXTICMCJUUDAKN-GDNZZTSVSA-N 2 1 250.346 -0.542 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000305850222 333000975 /nfs/dbraw/zinc/00/09/75/333000975.db2.gz JJWPDYUGTMRKCW-UONOGXRCSA-N 2 1 279.384 -0.534 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719723 333006278 /nfs/dbraw/zinc/00/62/78/333006278.db2.gz SDUWZTCMUAZFID-CQSZACIVSA-N 2 1 280.416 -0.306 20 30 CBEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@@H](C)COC ZINC000104173091 582113167 /nfs/dbraw/zinc/11/31/67/582113167.db2.gz OKHZISXGFLTNHA-NSHDSACASA-N 2 1 260.382 -0.106 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCO ZINC000769635103 582336315 /nfs/dbraw/zinc/33/63/15/582336315.db2.gz BMCXQEJJPRLPJB-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCO ZINC000769635103 582336316 /nfs/dbraw/zinc/33/63/16/582336316.db2.gz BMCXQEJJPRLPJB-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCO ZINC000769635103 582336317 /nfs/dbraw/zinc/33/63/17/582336317.db2.gz BMCXQEJJPRLPJB-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCO ZINC000769635103 582336318 /nfs/dbraw/zinc/33/63/18/582336318.db2.gz BMCXQEJJPRLPJB-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CCNC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779650249 582362274 /nfs/dbraw/zinc/36/22/74/582362274.db2.gz MDANCUXRVMSYJL-NSHDSACASA-N 2 1 282.344 -0.657 20 30 CBEDMP C#CCNC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779650249 582362275 /nfs/dbraw/zinc/36/22/75/582362275.db2.gz MDANCUXRVMSYJL-NSHDSACASA-N 2 1 282.344 -0.657 20 30 CBEDMP CCN1CC[NH+](CCC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000844195538 583260390 /nfs/dbraw/zinc/26/03/90/583260390.db2.gz WVIVHDCEEYBKCT-STQMWFEESA-N 2 1 279.388 -0.758 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCCN2CCC[N@@H+](C)CC2)N1 ZINC000849000437 583465821 /nfs/dbraw/zinc/46/58/21/583465821.db2.gz TYEZEEYOBSYBID-GFCCVEGCSA-N 2 1 253.394 -0.049 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCCN(C)CC2)N1 ZINC000849000437 583465826 /nfs/dbraw/zinc/46/58/26/583465826.db2.gz TYEZEEYOBSYBID-GFCCVEGCSA-N 2 1 253.394 -0.049 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCCN(C)CC2)N1 ZINC000849000437 583465828 /nfs/dbraw/zinc/46/58/28/583465828.db2.gz TYEZEEYOBSYBID-GFCCVEGCSA-N 2 1 253.394 -0.049 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)N1 ZINC000849000318 583465847 /nfs/dbraw/zinc/46/58/47/583465847.db2.gz RVLUJRVYCJLEQS-MNOVXSKESA-N 2 1 267.377 -0.489 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CC=CCC1 ZINC000849024776 583469253 /nfs/dbraw/zinc/46/92/53/583469253.db2.gz XHGPTHNDDRSZON-UHFFFAOYSA-N 2 1 295.431 -0.255 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CC=CCC1 ZINC000849024776 583469256 /nfs/dbraw/zinc/46/92/56/583469256.db2.gz XHGPTHNDDRSZON-UHFFFAOYSA-N 2 1 295.431 -0.255 20 30 CBEDMP C#CC[N@H+](C)CCCNS(=O)(=O)CCC[NH+](C)C ZINC000867311269 583947939 /nfs/dbraw/zinc/94/79/39/583947939.db2.gz NAGMCWCEQUFTJR-UHFFFAOYSA-N 2 1 275.418 -0.187 20 30 CBEDMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801807 584146251 /nfs/dbraw/zinc/14/62/51/584146251.db2.gz IZBMFUDIEYEKKT-STQMWFEESA-N 2 1 298.387 -0.801 20 30 CBEDMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801806 584146407 /nfs/dbraw/zinc/14/64/07/584146407.db2.gz IZBMFUDIEYEKKT-QWHCGFSZSA-N 2 1 298.387 -0.801 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595730 613033432 /nfs/dbraw/zinc/03/34/32/613033432.db2.gz UVKYGSHJSWRCNO-UONOGXRCSA-N 2 1 291.395 -0.486 20 30 CBEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977955036 613041200 /nfs/dbraw/zinc/04/12/00/613041200.db2.gz MIYCSRQMMOJQFV-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977955036 613041202 /nfs/dbraw/zinc/04/12/02/613041202.db2.gz MIYCSRQMMOJQFV-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955036 613041204 /nfs/dbraw/zinc/04/12/04/613041204.db2.gz MIYCSRQMMOJQFV-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955036 613041205 /nfs/dbraw/zinc/04/12/05/613041205.db2.gz MIYCSRQMMOJQFV-XQLPTFJDSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962670356 613044417 /nfs/dbraw/zinc/04/44/17/613044417.db2.gz UTOACFULWMMFKU-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962670356 613044419 /nfs/dbraw/zinc/04/44/19/613044419.db2.gz UTOACFULWMMFKU-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962670356 613044420 /nfs/dbraw/zinc/04/44/20/613044420.db2.gz UTOACFULWMMFKU-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962670356 613044422 /nfs/dbraw/zinc/04/44/22/613044422.db2.gz UTOACFULWMMFKU-BARDWOONSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000980446905 613092132 /nfs/dbraw/zinc/09/21/32/613092132.db2.gz AZWGSRMZBQBTLI-KBPBESRZSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000980446905 613092133 /nfs/dbraw/zinc/09/21/33/613092133.db2.gz AZWGSRMZBQBTLI-KBPBESRZSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980446905 613092135 /nfs/dbraw/zinc/09/21/35/613092135.db2.gz AZWGSRMZBQBTLI-KBPBESRZSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980446905 613092136 /nfs/dbraw/zinc/09/21/36/613092136.db2.gz AZWGSRMZBQBTLI-KBPBESRZSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC)C[C@H]2O)CC1 ZINC000958724357 613130551 /nfs/dbraw/zinc/13/05/51/613130551.db2.gz NXIHNPQUCWLJCJ-HUUCEWRRSA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC000960344680 613202723 /nfs/dbraw/zinc/20/27/23/613202723.db2.gz HCVZOMMNTDITQR-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC000960344680 613202724 /nfs/dbraw/zinc/20/27/24/613202724.db2.gz HCVZOMMNTDITQR-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOC)C[C@H]21 ZINC000960344680 613202725 /nfs/dbraw/zinc/20/27/25/613202725.db2.gz HCVZOMMNTDITQR-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOC)C[C@H]21 ZINC000960344680 613202727 /nfs/dbraw/zinc/20/27/27/613202727.db2.gz HCVZOMMNTDITQR-LJISPDSOSA-N 2 1 291.395 -0.223 20 30 CBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958591755 613288374 /nfs/dbraw/zinc/28/83/74/613288374.db2.gz IEYABFDNSNWXFZ-CHWSQXEVSA-N 2 1 277.368 -0.876 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960531962 613316837 /nfs/dbraw/zinc/31/68/37/613316837.db2.gz YMNGKUDNQRECGD-RGDJUOJXSA-N 2 1 277.368 -0.615 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960531962 613316838 /nfs/dbraw/zinc/31/68/38/613316838.db2.gz YMNGKUDNQRECGD-RGDJUOJXSA-N 2 1 277.368 -0.615 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960531962 613316840 /nfs/dbraw/zinc/31/68/40/613316840.db2.gz YMNGKUDNQRECGD-RGDJUOJXSA-N 2 1 277.368 -0.615 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960531962 613316842 /nfs/dbraw/zinc/31/68/42/613316842.db2.gz YMNGKUDNQRECGD-RGDJUOJXSA-N 2 1 277.368 -0.615 20 30 CBEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958474239 613565236 /nfs/dbraw/zinc/56/52/36/613565236.db2.gz IIWFNZOSJBMKIX-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958474239 613565238 /nfs/dbraw/zinc/56/52/38/613565238.db2.gz IIWFNZOSJBMKIX-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474239 613565239 /nfs/dbraw/zinc/56/52/39/613565239.db2.gz IIWFNZOSJBMKIX-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474239 613565241 /nfs/dbraw/zinc/56/52/41/613565241.db2.gz IIWFNZOSJBMKIX-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962655422 613840492 /nfs/dbraw/zinc/84/04/92/613840492.db2.gz SWBYIIKEWAAOEI-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962655422 613840493 /nfs/dbraw/zinc/84/04/93/613840493.db2.gz SWBYIIKEWAAOEI-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962655422 613840494 /nfs/dbraw/zinc/84/04/94/613840494.db2.gz SWBYIIKEWAAOEI-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962655422 613840495 /nfs/dbraw/zinc/84/04/95/613840495.db2.gz SWBYIIKEWAAOEI-RQJABVFESA-N 2 1 279.384 -0.061 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCOCCO ZINC000922108668 657995490 /nfs/dbraw/zinc/99/54/90/657995490.db2.gz AUJFIKHJHZIFKQ-AWEZNQCLSA-N 2 1 297.399 -0.859 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCOCCO ZINC000922108668 657995503 /nfs/dbraw/zinc/99/55/03/657995503.db2.gz AUJFIKHJHZIFKQ-AWEZNQCLSA-N 2 1 297.399 -0.859 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOCCO ZINC000922108668 657995511 /nfs/dbraw/zinc/99/55/11/657995511.db2.gz AUJFIKHJHZIFKQ-AWEZNQCLSA-N 2 1 297.399 -0.859 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOCCO ZINC000922108668 657995524 /nfs/dbraw/zinc/99/55/24/657995524.db2.gz AUJFIKHJHZIFKQ-AWEZNQCLSA-N 2 1 297.399 -0.859 20 30 CBEDMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000262494199 656133217 /nfs/dbraw/zinc/13/32/17/656133217.db2.gz VXANMULXUZRATI-NEPJUHHUSA-N 2 1 269.393 -0.732 20 30 CBEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1CCCO1 ZINC000262830148 656134258 /nfs/dbraw/zinc/13/42/58/656134258.db2.gz ZQTZYNZVNALTTF-LBPRGKRZSA-N 2 1 270.377 -0.208 20 30 CBEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)NC[C@@H]1CCCO1 ZINC000262830148 656134262 /nfs/dbraw/zinc/13/42/62/656134262.db2.gz ZQTZYNZVNALTTF-LBPRGKRZSA-N 2 1 270.377 -0.208 20 30 CBEDMP C[C@H](CNC(=[NH2+])NC1CC1)CN1CC[NH+](C)CC1 ZINC000303376508 656138956 /nfs/dbraw/zinc/13/89/56/656138956.db2.gz OMWCWYOIVSIZRI-LLVKDONJSA-N 2 1 253.394 -0.063 20 30 CBEDMP C=CCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303374347 656139012 /nfs/dbraw/zinc/13/90/12/656139012.db2.gz NAXRFPFPSVPXEA-LBPRGKRZSA-N 2 1 253.394 -0.040 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc[nH]n1 ZINC000303891413 656139275 /nfs/dbraw/zinc/13/92/75/656139275.db2.gz QQIUPHZNQALHGP-UHFFFAOYSA-N 2 1 266.349 -0.464 20 30 CBEDMP C[NH+](C)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303705760 656139803 /nfs/dbraw/zinc/13/98/03/656139803.db2.gz LCSLAMRXODXDTG-UHFFFAOYSA-N 3 1 271.409 -0.435 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303892558 656140287 /nfs/dbraw/zinc/14/02/87/656140287.db2.gz RIDBMNDZJZNOJY-JTQLQIEISA-N 2 1 269.393 -0.114 20 30 CBEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000304757200 656140969 /nfs/dbraw/zinc/14/09/69/656140969.db2.gz OOLWENWPKYNCJV-CQSZACIVSA-N 2 1 297.447 -0.045 20 30 CBEDMP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304757200 656140971 /nfs/dbraw/zinc/14/09/71/656140971.db2.gz OOLWENWPKYNCJV-CQSZACIVSA-N 3 1 297.447 -0.045 20 30 CBEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304757200 656140974 /nfs/dbraw/zinc/14/09/74/656140974.db2.gz OOLWENWPKYNCJV-CQSZACIVSA-N 3 1 297.447 -0.045 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000305076243 656141322 /nfs/dbraw/zinc/14/13/22/656141322.db2.gz LCMFFAURFOCUEU-GRYCIOLGSA-N 2 1 297.403 -0.592 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000908437495 656725624 /nfs/dbraw/zinc/72/56/24/656725624.db2.gz PFIYMVGUGINSPH-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908437495 656725644 /nfs/dbraw/zinc/72/56/44/656725644.db2.gz PFIYMVGUGINSPH-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908437495 656725655 /nfs/dbraw/zinc/72/56/55/656725655.db2.gz PFIYMVGUGINSPH-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001000966183 656779196 /nfs/dbraw/zinc/77/91/96/656779196.db2.gz DLCOZEBVFBAGOK-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001000966183 656779203 /nfs/dbraw/zinc/77/92/03/656779203.db2.gz DLCOZEBVFBAGOK-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912735037 657317313 /nfs/dbraw/zinc/31/73/13/657317313.db2.gz UOWTVLVCFFGXNY-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912735037 657317318 /nfs/dbraw/zinc/31/73/18/657317318.db2.gz UOWTVLVCFFGXNY-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015332392 657435605 /nfs/dbraw/zinc/43/56/05/657435605.db2.gz BCJOVVFWZGCLGU-IQXANGCESA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015332392 657435609 /nfs/dbraw/zinc/43/56/09/657435609.db2.gz BCJOVVFWZGCLGU-IQXANGCESA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015332392 657435620 /nfs/dbraw/zinc/43/56/20/657435620.db2.gz BCJOVVFWZGCLGU-IQXANGCESA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015332392 657435623 /nfs/dbraw/zinc/43/56/23/657435623.db2.gz BCJOVVFWZGCLGU-IQXANGCESA-N 2 1 289.379 -0.327 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913524575 657492386 /nfs/dbraw/zinc/49/23/86/657492386.db2.gz SDYHSTHUOBWIDA-YPMHNXCESA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001016333307 657691326 /nfs/dbraw/zinc/69/13/26/657691326.db2.gz WBYUAJQQRYDHES-AWEZNQCLSA-N 2 1 279.384 -0.486 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518294 658312754 /nfs/dbraw/zinc/31/27/54/658312754.db2.gz KPISEFBALXFEMR-GRYCIOLGSA-N 2 1 280.372 -0.072 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518294 658312772 /nfs/dbraw/zinc/31/27/72/658312772.db2.gz KPISEFBALXFEMR-GRYCIOLGSA-N 2 1 280.372 -0.072 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000928655149 659061151 /nfs/dbraw/zinc/06/11/51/659061151.db2.gz LVNGJPIAMFARQX-UHFFFAOYSA-N 2 1 278.400 -0.552 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995924657 659919945 /nfs/dbraw/zinc/91/99/45/659919945.db2.gz QNCKAOISVQEWEM-UONOGXRCSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995924657 659919948 /nfs/dbraw/zinc/91/99/48/659919948.db2.gz QNCKAOISVQEWEM-UONOGXRCSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121607 790991647 /nfs/dbraw/zinc/99/16/47/790991647.db2.gz GTZASFHZCATQBJ-XJFOESAGSA-N 2 1 277.368 -0.280 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077221333 805700695 /nfs/dbraw/zinc/70/06/95/805700695.db2.gz NBVVWLSMJBEEQS-AAVRWANBSA-N 2 1 297.399 -0.557 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077221333 805700703 /nfs/dbraw/zinc/70/07/03/805700703.db2.gz NBVVWLSMJBEEQS-AAVRWANBSA-N 2 1 297.399 -0.557 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221333 805700708 /nfs/dbraw/zinc/70/07/08/805700708.db2.gz NBVVWLSMJBEEQS-AAVRWANBSA-N 2 1 297.399 -0.557 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221333 805700714 /nfs/dbraw/zinc/70/07/14/805700714.db2.gz NBVVWLSMJBEEQS-AAVRWANBSA-N 2 1 297.399 -0.557 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900123 814925024 /nfs/dbraw/zinc/92/50/24/814925024.db2.gz HZVPPUNUYJRHGJ-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675389 805767755 /nfs/dbraw/zinc/76/77/55/805767755.db2.gz LYLGSYPRSALFTN-MGPQQGTHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675389 805767762 /nfs/dbraw/zinc/76/77/62/805767762.db2.gz LYLGSYPRSALFTN-MGPQQGTHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675389 805767768 /nfs/dbraw/zinc/76/77/68/805767768.db2.gz LYLGSYPRSALFTN-MGPQQGTHSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078005572 805819310 /nfs/dbraw/zinc/81/93/10/805819310.db2.gz FRQPJSYYPNDIIH-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005572 805819320 /nfs/dbraw/zinc/81/93/20/805819320.db2.gz FRQPJSYYPNDIIH-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005572 805819329 /nfs/dbraw/zinc/81/93/29/805819329.db2.gz FRQPJSYYPNDIIH-BFHYXJOUSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174135 805848185 /nfs/dbraw/zinc/84/81/85/805848185.db2.gz CFNYNXCVDNUCKS-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174135 805848193 /nfs/dbraw/zinc/84/81/93/805848193.db2.gz CFNYNXCVDNUCKS-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174135 805848201 /nfs/dbraw/zinc/84/82/01/805848201.db2.gz CFNYNXCVDNUCKS-YNEHKIRRSA-N 2 1 265.357 -0.877 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175563 805848920 /nfs/dbraw/zinc/84/89/20/805848920.db2.gz BDJJFTIIYPIQJA-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175563 805848926 /nfs/dbraw/zinc/84/89/26/805848926.db2.gz BDJJFTIIYPIQJA-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175563 805848934 /nfs/dbraw/zinc/84/89/34/805848934.db2.gz BDJJFTIIYPIQJA-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079525622 805923102 /nfs/dbraw/zinc/92/31/02/805923102.db2.gz ALAYYPZODJDEEF-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079525622 805923111 /nfs/dbraw/zinc/92/31/11/805923111.db2.gz ALAYYPZODJDEEF-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079525622 805923116 /nfs/dbraw/zinc/92/31/16/805923116.db2.gz ALAYYPZODJDEEF-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079525622 805923119 /nfs/dbraw/zinc/92/31/19/805923119.db2.gz ALAYYPZODJDEEF-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082134090 806148305 /nfs/dbraw/zinc/14/83/05/806148305.db2.gz ZMXBEIXIFGBABI-BFHYXJOUSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)CN2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082134090 806148314 /nfs/dbraw/zinc/14/83/14/806148314.db2.gz ZMXBEIXIFGBABI-BFHYXJOUSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326215 806164496 /nfs/dbraw/zinc/16/44/96/806164496.db2.gz SVFNCNYUWVDQPP-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326215 806164500 /nfs/dbraw/zinc/16/45/00/806164500.db2.gz SVFNCNYUWVDQPP-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326215 806164503 /nfs/dbraw/zinc/16/45/03/806164503.db2.gz SVFNCNYUWVDQPP-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326215 806164505 /nfs/dbraw/zinc/16/45/05/806164505.db2.gz SVFNCNYUWVDQPP-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473355 806337319 /nfs/dbraw/zinc/33/73/19/806337319.db2.gz XILWREYNRPZKES-SYQHCUMBSA-N 2 1 279.384 -0.489 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473355 806337329 /nfs/dbraw/zinc/33/73/29/806337329.db2.gz XILWREYNRPZKES-SYQHCUMBSA-N 2 1 279.384 -0.489 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473355 806337338 /nfs/dbraw/zinc/33/73/38/806337338.db2.gz XILWREYNRPZKES-SYQHCUMBSA-N 2 1 279.384 -0.489 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473355 806337347 /nfs/dbraw/zinc/33/73/47/806337347.db2.gz XILWREYNRPZKES-SYQHCUMBSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083952591 806468411 /nfs/dbraw/zinc/46/84/11/806468411.db2.gz PKGJLOCGQDQEGB-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083952591 806468416 /nfs/dbraw/zinc/46/84/16/806468416.db2.gz PKGJLOCGQDQEGB-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083952591 806468418 /nfs/dbraw/zinc/46/84/18/806468418.db2.gz PKGJLOCGQDQEGB-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083952591 806468422 /nfs/dbraw/zinc/46/84/22/806468422.db2.gz PKGJLOCGQDQEGB-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086052298 806640980 /nfs/dbraw/zinc/64/09/80/806640980.db2.gz GOFGGFVMACGLHW-XQQFMLRXSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086052298 806640984 /nfs/dbraw/zinc/64/09/84/806640984.db2.gz GOFGGFVMACGLHW-XQQFMLRXSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023115746 798883904 /nfs/dbraw/zinc/88/39/04/798883904.db2.gz VNQHPAJRBDCVBC-FRRDWIJNSA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115746 798883911 /nfs/dbraw/zinc/88/39/11/798883911.db2.gz VNQHPAJRBDCVBC-FRRDWIJNSA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023115747 798883987 /nfs/dbraw/zinc/88/39/87/798883987.db2.gz VNQHPAJRBDCVBC-XQQFMLRXSA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115747 798883993 /nfs/dbraw/zinc/88/39/93/798883993.db2.gz VNQHPAJRBDCVBC-XQQFMLRXSA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797884 798977075 /nfs/dbraw/zinc/97/70/75/798977075.db2.gz YXSYBELVTCWJLW-MRLBHPIUSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025797884 798977076 /nfs/dbraw/zinc/97/70/76/798977076.db2.gz YXSYBELVTCWJLW-MRLBHPIUSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797884 798977079 /nfs/dbraw/zinc/97/70/79/798977079.db2.gz YXSYBELVTCWJLW-MRLBHPIUSA-N 2 1 289.379 -0.471 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026045276 798988293 /nfs/dbraw/zinc/98/82/93/798988293.db2.gz XSTOZCQVQVOQGZ-BJJPWKGXSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026045276 798988288 /nfs/dbraw/zinc/98/82/88/798988288.db2.gz XSTOZCQVQVOQGZ-BJJPWKGXSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026045276 798988299 /nfs/dbraw/zinc/98/82/99/798988299.db2.gz XSTOZCQVQVOQGZ-BJJPWKGXSA-N 2 1 261.369 -0.136 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461576 799139456 /nfs/dbraw/zinc/13/94/56/799139456.db2.gz UZGVSBSYWHKZQZ-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461576 799139460 /nfs/dbraw/zinc/13/94/60/799139460.db2.gz UZGVSBSYWHKZQZ-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461576 799139465 /nfs/dbraw/zinc/13/94/65/799139465.db2.gz UZGVSBSYWHKZQZ-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461576 799139471 /nfs/dbraw/zinc/13/94/71/799139471.db2.gz UZGVSBSYWHKZQZ-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461112 799140157 /nfs/dbraw/zinc/14/01/57/799140157.db2.gz JZGBMFWNXSARGA-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461112 799140160 /nfs/dbraw/zinc/14/01/60/799140160.db2.gz JZGBMFWNXSARGA-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461112 799140162 /nfs/dbraw/zinc/14/01/62/799140162.db2.gz JZGBMFWNXSARGA-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461112 799140165 /nfs/dbraw/zinc/14/01/65/799140165.db2.gz JZGBMFWNXSARGA-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028465953 799140294 /nfs/dbraw/zinc/14/02/94/799140294.db2.gz NRYFIBDMNKSKEO-OLZOCXBDSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028465953 799140295 /nfs/dbraw/zinc/14/02/95/799140295.db2.gz NRYFIBDMNKSKEO-OLZOCXBDSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028465953 799140297 /nfs/dbraw/zinc/14/02/97/799140297.db2.gz NRYFIBDMNKSKEO-OLZOCXBDSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028465953 799140298 /nfs/dbraw/zinc/14/02/98/799140298.db2.gz NRYFIBDMNKSKEO-OLZOCXBDSA-N 2 1 267.373 -0.059 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028464869 799140314 /nfs/dbraw/zinc/14/03/14/799140314.db2.gz GMWIJQVDPSKDTJ-OLZOCXBDSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028464869 799140315 /nfs/dbraw/zinc/14/03/15/799140315.db2.gz GMWIJQVDPSKDTJ-OLZOCXBDSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028464869 799140317 /nfs/dbraw/zinc/14/03/17/799140317.db2.gz GMWIJQVDPSKDTJ-OLZOCXBDSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028464869 799140318 /nfs/dbraw/zinc/14/03/18/799140318.db2.gz GMWIJQVDPSKDTJ-OLZOCXBDSA-N 2 1 265.357 -0.612 20 30 CBEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031595389 799517075 /nfs/dbraw/zinc/51/70/75/799517075.db2.gz WNBXARHLURCIIL-ZDUSSCGKSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031595389 799517078 /nfs/dbraw/zinc/51/70/78/799517078.db2.gz WNBXARHLURCIIL-ZDUSSCGKSA-N 2 1 267.373 -0.059 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001033684617 799780134 /nfs/dbraw/zinc/78/01/34/799780134.db2.gz PBHCKNOVRCCYMD-OAHLLOKOSA-N 2 1 293.411 -0.143 20 30 CBEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035615308 799952639 /nfs/dbraw/zinc/95/26/39/799952639.db2.gz XFDVOTPNLSCVTD-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035615308 799952647 /nfs/dbraw/zinc/95/26/47/799952647.db2.gz XFDVOTPNLSCVTD-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035615308 799952656 /nfs/dbraw/zinc/95/26/56/799952656.db2.gz XFDVOTPNLSCVTD-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035615308 799952663 /nfs/dbraw/zinc/95/26/63/799952663.db2.gz XFDVOTPNLSCVTD-KGLIPLIRSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047528507 801895235 /nfs/dbraw/zinc/89/52/35/801895235.db2.gz SGVNWGVTOYYCNJ-ILXRZTDVSA-N 2 1 293.411 -0.003 20 30 CBEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047627662 801916140 /nfs/dbraw/zinc/91/61/40/801916140.db2.gz SWJVPLUJEDYJGZ-AVGNSLFASA-N 2 1 267.373 -0.372 20 30 CBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047627662 801916146 /nfs/dbraw/zinc/91/61/46/801916146.db2.gz SWJVPLUJEDYJGZ-AVGNSLFASA-N 2 1 267.373 -0.372 20 30 CBEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047627662 801916151 /nfs/dbraw/zinc/91/61/51/801916151.db2.gz SWJVPLUJEDYJGZ-AVGNSLFASA-N 2 1 267.373 -0.372 20 30 CBEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047627662 801916153 /nfs/dbraw/zinc/91/61/53/801916153.db2.gz SWJVPLUJEDYJGZ-AVGNSLFASA-N 2 1 267.373 -0.372 20 30 CBEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739681 801961824 /nfs/dbraw/zinc/96/18/24/801961824.db2.gz OCKFEPCYGZZAAO-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739681 801961830 /nfs/dbraw/zinc/96/18/30/801961830.db2.gz OCKFEPCYGZZAAO-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739681 801961838 /nfs/dbraw/zinc/96/18/38/801961838.db2.gz OCKFEPCYGZZAAO-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739681 801961847 /nfs/dbraw/zinc/96/18/47/801961847.db2.gz OCKFEPCYGZZAAO-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472767 802063993 /nfs/dbraw/zinc/06/39/93/802063993.db2.gz YYYXDSMNPBEUFP-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472767 802064000 /nfs/dbraw/zinc/06/40/00/802064000.db2.gz YYYXDSMNPBEUFP-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834109 814304156 /nfs/dbraw/zinc/30/41/56/814304156.db2.gz OFJKCFXRCPFGTF-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834177 814305878 /nfs/dbraw/zinc/30/58/78/814305878.db2.gz PWLIHWUMYBLUMP-STQMWFEESA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)C(N)=O ZINC001322549736 803908706 /nfs/dbraw/zinc/90/87/06/803908706.db2.gz RWMCTFLBKMHKBF-STQMWFEESA-N 2 1 294.399 -0.604 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)C(N)=O ZINC001322549736 803908718 /nfs/dbraw/zinc/90/87/18/803908718.db2.gz RWMCTFLBKMHKBF-STQMWFEESA-N 2 1 294.399 -0.604 20 30 CBEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001323111996 803979065 /nfs/dbraw/zinc/97/90/65/803979065.db2.gz FDSXYCYLJFQDSV-KGLIPLIRSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001323111996 803979074 /nfs/dbraw/zinc/97/90/74/803979074.db2.gz FDSXYCYLJFQDSV-KGLIPLIRSA-N 2 1 279.384 -0.175 20 30 CBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001323613395 804050416 /nfs/dbraw/zinc/05/04/16/804050416.db2.gz FAFIROFPIHKHNW-LBPRGKRZSA-N 2 1 294.399 -0.521 20 30 CBEDMP C#CCN1CCC[C@@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001325865082 804326555 /nfs/dbraw/zinc/32/65/55/804326555.db2.gz LDCHKWYUZPDAQX-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001325865082 804326565 /nfs/dbraw/zinc/32/65/65/804326565.db2.gz LDCHKWYUZPDAQX-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001325865082 804326573 /nfs/dbraw/zinc/32/65/73/804326573.db2.gz LDCHKWYUZPDAQX-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001325865082 804326591 /nfs/dbraw/zinc/32/65/91/804326591.db2.gz LDCHKWYUZPDAQX-OAHLLOKOSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714533 815040753 /nfs/dbraw/zinc/04/07/53/815040753.db2.gz DWYUYKSPAHJGPI-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714533 815040758 /nfs/dbraw/zinc/04/07/58/815040758.db2.gz DWYUYKSPAHJGPI-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066152 815057883 /nfs/dbraw/zinc/05/78/83/815057883.db2.gz RBHHBUFFQUOUDH-LBPRGKRZSA-N 2 1 255.362 -0.154 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122273 815064313 /nfs/dbraw/zinc/06/43/13/815064313.db2.gz QAWCKIIRPPOWCW-NSHDSACASA-N 2 1 291.355 -0.965 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072579030 805318521 /nfs/dbraw/zinc/31/85/21/805318521.db2.gz TVDNCILGMPLEIX-ZDUSSCGKSA-N 2 1 277.368 -0.516 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072579030 805318530 /nfs/dbraw/zinc/31/85/30/805318530.db2.gz TVDNCILGMPLEIX-ZDUSSCGKSA-N 2 1 277.368 -0.516 20 30 CBEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579030 805318539 /nfs/dbraw/zinc/31/85/39/805318539.db2.gz TVDNCILGMPLEIX-ZDUSSCGKSA-N 2 1 277.368 -0.516 20 30 CBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579030 805318548 /nfs/dbraw/zinc/31/85/48/805318548.db2.gz TVDNCILGMPLEIX-ZDUSSCGKSA-N 2 1 277.368 -0.516 20 30 CBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073886870 805422395 /nfs/dbraw/zinc/42/23/95/805422395.db2.gz ZTKBTYCHWYRVRU-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073886870 805422396 /nfs/dbraw/zinc/42/23/96/805422396.db2.gz ZTKBTYCHWYRVRU-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886870 805422400 /nfs/dbraw/zinc/42/24/00/805422400.db2.gz ZTKBTYCHWYRVRU-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886870 805422402 /nfs/dbraw/zinc/42/24/02/805422402.db2.gz ZTKBTYCHWYRVRU-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152145902 815108282 /nfs/dbraw/zinc/10/82/82/815108282.db2.gz FYCMDKNMVGSJQY-BETUJISGSA-N 2 1 294.399 -0.686 20 30 CBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152445635 815123109 /nfs/dbraw/zinc/12/31/09/815123109.db2.gz LDHSLJMSJXVABM-LBPRGKRZSA-N 2 1 295.387 -0.794 20 30 CBEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156124968 815339356 /nfs/dbraw/zinc/33/93/56/815339356.db2.gz CQXNYJSGENBLSJ-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156124968 815339360 /nfs/dbraw/zinc/33/93/60/815339360.db2.gz CQXNYJSGENBLSJ-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001086721086 810283410 /nfs/dbraw/zinc/28/34/10/810283410.db2.gz FNDLGCJQHQZFCO-ZNMIVQPWSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001086721086 810283418 /nfs/dbraw/zinc/28/34/18/810283418.db2.gz FNDLGCJQHQZFCO-ZNMIVQPWSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540254 810519275 /nfs/dbraw/zinc/51/92/75/810519275.db2.gz NZLYOSCXVGLNPB-UONOGXRCSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540254 810519283 /nfs/dbraw/zinc/51/92/83/810519283.db2.gz NZLYOSCXVGLNPB-UONOGXRCSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537792 810520109 /nfs/dbraw/zinc/52/01/09/810520109.db2.gz NZIZTEDBTOQFRR-GJZGRUSLSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090619963 810530736 /nfs/dbraw/zinc/53/07/36/810530736.db2.gz BGMCXBKCDSUSSQ-LSDHHAIUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090619963 810530746 /nfs/dbraw/zinc/53/07/46/810530746.db2.gz BGMCXBKCDSUSSQ-LSDHHAIUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731895 810558735 /nfs/dbraw/zinc/55/87/35/810558735.db2.gz XURIINSQQXRONV-CHWSQXEVSA-N 2 1 277.368 -0.733 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731895 810558742 /nfs/dbraw/zinc/55/87/42/810558742.db2.gz XURIINSQQXRONV-CHWSQXEVSA-N 2 1 277.368 -0.733 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001091374183 810605182 /nfs/dbraw/zinc/60/51/82/810605182.db2.gz RSCMBXCYSCIDNT-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001091374183 810605185 /nfs/dbraw/zinc/60/51/85/810605185.db2.gz RSCMBXCYSCIDNT-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872143 810955924 /nfs/dbraw/zinc/95/59/24/810955924.db2.gz PJQIZECJBJZTNL-STQMWFEESA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872143 810955930 /nfs/dbraw/zinc/95/59/30/810955930.db2.gz PJQIZECJBJZTNL-STQMWFEESA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974120 810981330 /nfs/dbraw/zinc/98/13/30/810981330.db2.gz NNMGBFZOCUXLIP-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986291 810983743 /nfs/dbraw/zinc/98/37/43/810983743.db2.gz IROHSXLUILOTCN-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037111 810998214 /nfs/dbraw/zinc/99/82/14/810998214.db2.gz UCTAOCHPZCHEGO-ZIAGYGMSSA-N 2 1 297.399 -0.554 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037111 810998218 /nfs/dbraw/zinc/99/82/18/810998218.db2.gz UCTAOCHPZCHEGO-ZIAGYGMSSA-N 2 1 297.399 -0.554 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048792 811004181 /nfs/dbraw/zinc/00/41/81/811004181.db2.gz RCHKPLAWJMHTGQ-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100063758 811008990 /nfs/dbraw/zinc/00/89/90/811008990.db2.gz CCZWGLNMKVGTOY-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100063758 811008983 /nfs/dbraw/zinc/00/89/83/811008983.db2.gz CCZWGLNMKVGTOY-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063758 811008996 /nfs/dbraw/zinc/00/89/96/811008996.db2.gz CCZWGLNMKVGTOY-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063758 811009002 /nfs/dbraw/zinc/00/90/02/811009002.db2.gz CCZWGLNMKVGTOY-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074719 811014489 /nfs/dbraw/zinc/01/44/89/811014489.db2.gz RHPDTLAVOSZIRF-KBPBESRZSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076001 811014806 /nfs/dbraw/zinc/01/48/06/811014806.db2.gz DNOWUZMYHJIMCC-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073760 811015375 /nfs/dbraw/zinc/01/53/75/811015375.db2.gz GQMUDJSQADQOHW-UONOGXRCSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082577 811016466 /nfs/dbraw/zinc/01/64/66/811016466.db2.gz FCKLILQVJXBDHT-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082577 811016470 /nfs/dbraw/zinc/01/64/70/811016470.db2.gz FCKLILQVJXBDHT-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082577 811016479 /nfs/dbraw/zinc/01/64/79/811016479.db2.gz FCKLILQVJXBDHT-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131403 811024293 /nfs/dbraw/zinc/02/42/93/811024293.db2.gz CMTXWSQJGROTHK-KBPBESRZSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131403 811024296 /nfs/dbraw/zinc/02/42/96/811024296.db2.gz CMTXWSQJGROTHK-KBPBESRZSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131403 811024303 /nfs/dbraw/zinc/02/43/03/811024303.db2.gz CMTXWSQJGROTHK-KBPBESRZSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131405 811025404 /nfs/dbraw/zinc/02/54/04/811025404.db2.gz CMTXWSQJGROTHK-UONOGXRCSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131405 811025411 /nfs/dbraw/zinc/02/54/11/811025411.db2.gz CMTXWSQJGROTHK-UONOGXRCSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131405 811025419 /nfs/dbraw/zinc/02/54/19/811025419.db2.gz CMTXWSQJGROTHK-UONOGXRCSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100415323 811057001 /nfs/dbraw/zinc/05/70/01/811057001.db2.gz KJZNEBHKRZJWCV-NRXISQOPSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100415323 811057010 /nfs/dbraw/zinc/05/70/10/811057010.db2.gz KJZNEBHKRZJWCV-NRXISQOPSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511110 811158984 /nfs/dbraw/zinc/15/89/84/811158984.db2.gz JRTYNGOMGWJXTQ-ZIAGYGMSSA-N 2 1 281.400 -0.118 20 30 CBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241185 812185909 /nfs/dbraw/zinc/18/59/09/812185909.db2.gz DENJHYFLVNMWQR-FOLVSLTJSA-N 2 1 291.395 -0.222 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158379668 815522889 /nfs/dbraw/zinc/52/28/89/815522889.db2.gz FBXSSORKBLHXSO-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC001118200860 812494274 /nfs/dbraw/zinc/49/42/74/812494274.db2.gz DVLCVEGHYSKMQJ-RQJHMYQMSA-N 2 1 251.315 -0.557 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122442724 813165251 /nfs/dbraw/zinc/16/52/51/813165251.db2.gz UUYFHZHXEBYUDC-STQMWFEESA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122442724 813165252 /nfs/dbraw/zinc/16/52/52/813165252.db2.gz UUYFHZHXEBYUDC-STQMWFEESA-N 2 1 265.357 -0.733 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127637875 813738895 /nfs/dbraw/zinc/73/88/95/813738895.db2.gz AWAFBWUDOQICGP-CHWSQXEVSA-N 2 1 267.373 -0.318 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128773855 813797553 /nfs/dbraw/zinc/79/75/53/813797553.db2.gz GOPUXMMWXHTWGG-ZDUSSCGKSA-N 2 1 296.415 -0.131 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129381174 813838744 /nfs/dbraw/zinc/83/87/44/813838744.db2.gz QAKNGISYUHEVIE-GFCCVEGCSA-N 2 1 265.361 -0.295 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC=C ZINC001129770213 813862821 /nfs/dbraw/zinc/86/28/21/813862821.db2.gz CXXSAGHNLLYYGT-AWEZNQCLSA-N 2 1 279.384 -0.008 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC=C ZINC001129770213 813862830 /nfs/dbraw/zinc/86/28/30/813862830.db2.gz CXXSAGHNLLYYGT-AWEZNQCLSA-N 2 1 279.384 -0.008 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129842314 813871956 /nfs/dbraw/zinc/87/19/56/813871956.db2.gz WDLQYYUSCYHUMP-ZDUSSCGKSA-N 2 1 294.399 -0.684 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001160104798 815610680 /nfs/dbraw/zinc/61/06/80/815610680.db2.gz URFHOOXZJOIATJ-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001160104798 815610683 /nfs/dbraw/zinc/61/06/83/815610683.db2.gz URFHOOXZJOIATJ-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001160104798 815610689 /nfs/dbraw/zinc/61/06/89/815610689.db2.gz URFHOOXZJOIATJ-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@H+](C)CCN(CC)c1nc(N)[nH+]c(N)n1 ZINC001307152589 816797121 /nfs/dbraw/zinc/79/71/21/816797121.db2.gz GHTFPFCARUQLNB-UHFFFAOYSA-N 2 1 251.338 -0.020 20 30 CBEDMP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)C[NH+]1CCOCC1 ZINC001312083537 816849277 /nfs/dbraw/zinc/84/92/77/816849277.db2.gz SCZVFFNEAXSDSF-AWEZNQCLSA-N 2 1 296.415 -0.181 20 30 CBEDMP COCC[N@H+]1CC[C@@H](NC(=O)NCC#CC[NH+](C)C)C1 ZINC001312080177 816849401 /nfs/dbraw/zinc/84/94/01/816849401.db2.gz VPERNBQXYCWCIQ-CYBMUJFWSA-N 2 1 282.388 -0.429 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317281579 816958029 /nfs/dbraw/zinc/95/80/29/816958029.db2.gz DSDJVSSYYDDUJZ-CHWSQXEVSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317287106 816959308 /nfs/dbraw/zinc/95/93/08/816959308.db2.gz YBVXILVZTABJCY-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317287106 816959311 /nfs/dbraw/zinc/95/93/11/816959311.db2.gz YBVXILVZTABJCY-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001317291465 816960491 /nfs/dbraw/zinc/96/04/91/816960491.db2.gz VSPZBCWITOGFDQ-GFCCVEGCSA-N 2 1 278.356 -0.064 20 30 CBEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317317470 816964242 /nfs/dbraw/zinc/96/42/42/816964242.db2.gz MNJRWOYPUHEAKR-STQMWFEESA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317317470 816964245 /nfs/dbraw/zinc/96/42/45/816964245.db2.gz MNJRWOYPUHEAKR-STQMWFEESA-N 2 1 267.373 -0.059 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001317324834 816965338 /nfs/dbraw/zinc/96/53/38/816965338.db2.gz HFIVCTJVHULSTL-KBPBESRZSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001317324834 816965343 /nfs/dbraw/zinc/96/53/43/816965343.db2.gz HFIVCTJVHULSTL-KBPBESRZSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCO ZINC001317395233 816970876 /nfs/dbraw/zinc/97/08/76/816970876.db2.gz GSHJWZCJBYPJDG-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCO ZINC001317395233 816970881 /nfs/dbraw/zinc/97/08/81/816970881.db2.gz GSHJWZCJBYPJDG-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001317397969 816970912 /nfs/dbraw/zinc/97/09/12/816970912.db2.gz ZHUHJSJKDFIPGC-NEPJUHHUSA-N 2 1 280.372 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001317397969 816970917 /nfs/dbraw/zinc/97/09/17/816970917.db2.gz ZHUHJSJKDFIPGC-NEPJUHHUSA-N 2 1 280.372 -0.946 20 30 CBEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319174025 817173045 /nfs/dbraw/zinc/17/30/45/817173045.db2.gz OJHJRMSVUXUJAG-NEPJUHHUSA-N 2 1 253.346 -0.708 20 30 CBEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319174025 817173047 /nfs/dbraw/zinc/17/30/47/817173047.db2.gz OJHJRMSVUXUJAG-NEPJUHHUSA-N 2 1 253.346 -0.708 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001320264050 817308925 /nfs/dbraw/zinc/30/89/25/817308925.db2.gz QCUGCOLNDRWGDC-KGLIPLIRSA-N 2 1 281.400 -0.192 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001320285398 817314341 /nfs/dbraw/zinc/31/43/41/817314341.db2.gz ZVSOYDLZOJYUSR-LBPRGKRZSA-N 2 1 278.356 -0.294 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)CCCn1cc[nH+]c1C ZINC001320286805 817315084 /nfs/dbraw/zinc/31/50/84/817315084.db2.gz PTVQYDLWSWRBHP-ZDUSSCGKSA-N 2 1 278.356 -0.328 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181653286 820807234 /nfs/dbraw/zinc/80/72/34/820807234.db2.gz WOMKPGYNNJTFBC-CHWSQXEVSA-N 2 1 292.383 -0.980 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186367356 821180701 /nfs/dbraw/zinc/18/07/01/821180701.db2.gz WQPWILMOMVNFKS-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001280681651 828370902 /nfs/dbraw/zinc/37/09/02/828370902.db2.gz KIVNDDDGGZPHIA-ZDUSSCGKSA-N 2 1 267.373 -0.223 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187981819 822311996 /nfs/dbraw/zinc/31/19/96/822311996.db2.gz ACBSVPSPDHMOFT-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187981819 822312002 /nfs/dbraw/zinc/31/20/02/822312002.db2.gz ACBSVPSPDHMOFT-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001281636979 828421754 /nfs/dbraw/zinc/42/17/54/828421754.db2.gz QBEKZWIFSCXKGC-AWEZNQCLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001281989963 828429885 /nfs/dbraw/zinc/42/98/85/828429885.db2.gz AAQBRUNKJNWIHX-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001281989963 828429887 /nfs/dbraw/zinc/42/98/87/828429887.db2.gz AAQBRUNKJNWIHX-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCO)C1 ZINC001282015287 828430840 /nfs/dbraw/zinc/43/08/40/828430840.db2.gz XNJHRRRTBQZNOF-RUXDESIVSA-N 2 1 279.384 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCO)C1 ZINC001282015287 828430844 /nfs/dbraw/zinc/43/08/44/828430844.db2.gz XNJHRRRTBQZNOF-RUXDESIVSA-N 2 1 279.384 -0.439 20 30 CBEDMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282366406 828442432 /nfs/dbraw/zinc/44/24/32/828442432.db2.gz JYEDRBJAPKUESJ-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282366406 828442435 /nfs/dbraw/zinc/44/24/35/828442435.db2.gz JYEDRBJAPKUESJ-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282366406 828442437 /nfs/dbraw/zinc/44/24/37/828442437.db2.gz JYEDRBJAPKUESJ-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001282366406 828442440 /nfs/dbraw/zinc/44/24/40/828442440.db2.gz JYEDRBJAPKUESJ-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283805110 828550573 /nfs/dbraw/zinc/55/05/73/828550573.db2.gz QIBQITYNTUBUGB-SWLSCSKDSA-N 2 1 299.390 -0.101 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283805109 828550715 /nfs/dbraw/zinc/55/07/15/828550715.db2.gz QIBQITYNTUBUGB-IUODEOHRSA-N 2 1 299.390 -0.101 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CCC ZINC001283823711 828553407 /nfs/dbraw/zinc/55/34/07/828553407.db2.gz JEQGDCUWFGOGAG-LBPRGKRZSA-N 2 1 255.362 -0.582 20 30 CBEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001284509700 828606277 /nfs/dbraw/zinc/60/62/77/828606277.db2.gz OWZXKQDTOVYYHF-CYBMUJFWSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980823 824139962 /nfs/dbraw/zinc/13/99/62/824139962.db2.gz GSXWVCIBLGIAEX-MGPQQGTHSA-N 2 1 281.400 -0.243 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980823 824139965 /nfs/dbraw/zinc/13/99/65/824139965.db2.gz GSXWVCIBLGIAEX-MGPQQGTHSA-N 2 1 281.400 -0.243 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197254178 824185972 /nfs/dbraw/zinc/18/59/72/824185972.db2.gz NGXFTQFSXVHUNS-ZIAGYGMSSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197254178 824185975 /nfs/dbraw/zinc/18/59/75/824185975.db2.gz NGXFTQFSXVHUNS-ZIAGYGMSSA-N 2 1 297.399 -0.556 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528514 824194735 /nfs/dbraw/zinc/19/47/35/824194735.db2.gz MXORIMVCJGDCEG-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197528514 824194738 /nfs/dbraw/zinc/19/47/38/824194738.db2.gz MXORIMVCJGDCEG-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528514 824194740 /nfs/dbraw/zinc/19/47/40/824194740.db2.gz MXORIMVCJGDCEG-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528514 824194741 /nfs/dbraw/zinc/19/47/41/824194741.db2.gz MXORIMVCJGDCEG-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200114343 824307066 /nfs/dbraw/zinc/30/70/66/824307066.db2.gz CPTIOULLDQLWKJ-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388688 824531146 /nfs/dbraw/zinc/53/11/46/824531146.db2.gz HLVCSTHCUJXLRC-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388688 824531148 /nfs/dbraw/zinc/53/11/48/824531148.db2.gz HLVCSTHCUJXLRC-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCN1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052143 824653720 /nfs/dbraw/zinc/65/37/20/824653720.db2.gz HYGLCVNFIDRQKD-UONOGXRCSA-N 2 1 279.384 -0.129 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804059 824895443 /nfs/dbraw/zinc/89/54/43/824895443.db2.gz LVBKIDUOORVOMB-RDBSUJKOSA-N 2 1 279.384 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804059 824895448 /nfs/dbraw/zinc/89/54/48/824895448.db2.gz LVBKIDUOORVOMB-RDBSUJKOSA-N 2 1 279.384 -0.489 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219799911 824895662 /nfs/dbraw/zinc/89/56/62/824895662.db2.gz CBHMFKHQZNWOMO-NEPJUHHUSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219799911 824895665 /nfs/dbraw/zinc/89/56/65/824895665.db2.gz CBHMFKHQZNWOMO-NEPJUHHUSA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804539 824896209 /nfs/dbraw/zinc/89/62/09/824896209.db2.gz ZDRJMBJECNWFOM-FRRDWIJNSA-N 2 1 267.373 -0.326 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804539 824896212 /nfs/dbraw/zinc/89/62/12/824896212.db2.gz ZDRJMBJECNWFOM-FRRDWIJNSA-N 2 1 267.373 -0.326 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219825795 824900374 /nfs/dbraw/zinc/90/03/74/824900374.db2.gz KXEIIDSLLOHQPM-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219825795 824900384 /nfs/dbraw/zinc/90/03/84/824900384.db2.gz KXEIIDSLLOHQPM-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219825795 824900388 /nfs/dbraw/zinc/90/03/88/824900388.db2.gz KXEIIDSLLOHQPM-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219825795 824900395 /nfs/dbraw/zinc/90/03/95/824900395.db2.gz KXEIIDSLLOHQPM-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219903222 824912306 /nfs/dbraw/zinc/91/23/06/824912306.db2.gz VOYPSCQITMWMFC-OLZOCXBDSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903222 824912311 /nfs/dbraw/zinc/91/23/11/824912311.db2.gz VOYPSCQITMWMFC-OLZOCXBDSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903222 824912320 /nfs/dbraw/zinc/91/23/20/824912320.db2.gz VOYPSCQITMWMFC-OLZOCXBDSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#C[C@](C)([NH3+])C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220025622 824938396 /nfs/dbraw/zinc/93/83/96/824938396.db2.gz TWRKDQMHMMPCDS-MADCSZMMSA-N 2 1 264.354 -0.164 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237904 824991597 /nfs/dbraw/zinc/99/15/97/824991597.db2.gz HLPWYHLZDISHRK-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237904 824991602 /nfs/dbraw/zinc/99/16/02/824991602.db2.gz HLPWYHLZDISHRK-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=C[C@H]1C[C@@]1(NC(=O)C[NH2+]C1CC[NH2+]CC1)C(=O)OCC ZINC001220571497 825065971 /nfs/dbraw/zinc/06/59/71/825065971.db2.gz SISVIIMGZATZOA-NHYWBVRUSA-N 2 1 295.383 -0.048 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584847 825070439 /nfs/dbraw/zinc/07/04/39/825070439.db2.gz MDZPWJFHWFCAHM-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584847 825070442 /nfs/dbraw/zinc/07/04/42/825070442.db2.gz MDZPWJFHWFCAHM-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582775 825071384 /nfs/dbraw/zinc/07/13/84/825071384.db2.gz DDFFHQBBBOGVTK-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220683202 825084314 /nfs/dbraw/zinc/08/43/14/825084314.db2.gz MXORIMVCJGDCEG-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220683202 825084328 /nfs/dbraw/zinc/08/43/28/825084328.db2.gz MXORIMVCJGDCEG-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220683202 825084338 /nfs/dbraw/zinc/08/43/38/825084338.db2.gz MXORIMVCJGDCEG-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220683202 825084348 /nfs/dbraw/zinc/08/43/48/825084348.db2.gz MXORIMVCJGDCEG-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220683202 825084359 /nfs/dbraw/zinc/08/43/59/825084359.db2.gz MXORIMVCJGDCEG-NEPJUHHUSA-N 2 1 255.362 -0.325 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220816929 825105683 /nfs/dbraw/zinc/10/56/83/825105683.db2.gz HSZBMDZCLQQXFD-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220816929 825105662 /nfs/dbraw/zinc/10/56/62/825105662.db2.gz HSZBMDZCLQQXFD-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220816929 825105670 /nfs/dbraw/zinc/10/56/70/825105670.db2.gz HSZBMDZCLQQXFD-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220816929 825105675 /nfs/dbraw/zinc/10/56/75/825105675.db2.gz HSZBMDZCLQQXFD-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220816929 825105688 /nfs/dbraw/zinc/10/56/88/825105688.db2.gz HSZBMDZCLQQXFD-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220824112 825107022 /nfs/dbraw/zinc/10/70/22/825107022.db2.gz NYOAWRBZVPZJSL-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220824112 825107024 /nfs/dbraw/zinc/10/70/24/825107024.db2.gz NYOAWRBZVPZJSL-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220824112 825107027 /nfs/dbraw/zinc/10/70/27/825107027.db2.gz NYOAWRBZVPZJSL-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220824112 825107029 /nfs/dbraw/zinc/10/70/29/825107029.db2.gz NYOAWRBZVPZJSL-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220829227 825108555 /nfs/dbraw/zinc/10/85/55/825108555.db2.gz ORPLVYWZWLEREG-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220868719 825116906 /nfs/dbraw/zinc/11/69/06/825116906.db2.gz PYXFETHLWQAZFJ-SRVKXCTJSA-N 2 1 253.346 -0.524 20 30 CBEDMP N#CC1(NC(=O)[C@@H]([NH3+])CC[NH3+])Cc2ccccc2C1 ZINC001221366664 825176483 /nfs/dbraw/zinc/17/64/83/825176483.db2.gz JQLRDDZREHAPBQ-LBPRGKRZSA-N 2 1 258.325 -0.160 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246024665 825623778 /nfs/dbraw/zinc/62/37/78/825623778.db2.gz INQXDWNHNSGVMM-QWHCGFSZSA-N 2 1 255.362 -0.813 20 30 CBEDMP C=CCOC[C@@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246024665 825623782 /nfs/dbraw/zinc/62/37/82/825623782.db2.gz INQXDWNHNSGVMM-QWHCGFSZSA-N 2 1 255.362 -0.813 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246028092 825626136 /nfs/dbraw/zinc/62/61/36/825626136.db2.gz ZUZCCXFNIWBUMN-STQMWFEESA-N 2 1 256.346 -0.827 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001251707745 825786172 /nfs/dbraw/zinc/78/61/72/825786172.db2.gz FEBSKFUIOVMPRI-AWEZNQCLSA-N 2 1 296.415 -0.303 20 30 CBEDMP C=CCOC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252473973 825870875 /nfs/dbraw/zinc/87/08/75/825870875.db2.gz UBVUZCLATTVRFW-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252473973 825870879 /nfs/dbraw/zinc/87/08/79/825870879.db2.gz UBVUZCLATTVRFW-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CCOCCOCC[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC001253213050 825906696 /nfs/dbraw/zinc/90/66/96/825906696.db2.gz KTOYQEIZAHGBRE-CQSZACIVSA-N 2 1 272.389 -0.055 20 30 CBEDMP N#C[C@H]1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001254637652 825966807 /nfs/dbraw/zinc/96/68/07/825966807.db2.gz SZPFHMQIAGSMSE-QWHCGFSZSA-N 2 1 255.362 -0.055 20 30 CBEDMP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265240199 826861532 /nfs/dbraw/zinc/86/15/32/826861532.db2.gz JNLFYACOVSZLDT-OAHLLOKOSA-N 2 1 292.427 -0.162 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C[C@@H](O)COC ZINC001265785160 826919102 /nfs/dbraw/zinc/91/91/02/826919102.db2.gz APGMVJMSYOLKKA-MCIONIFRSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C[C@@H](O)COC ZINC001265785160 826919104 /nfs/dbraw/zinc/91/91/04/826919104.db2.gz APGMVJMSYOLKKA-MCIONIFRSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001266277651 826970530 /nfs/dbraw/zinc/97/05/30/826970530.db2.gz KWOCEZUMZWUWFL-HNNXBMFYSA-N 2 1 292.427 -0.305 20 30 CBEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001266280986 826971590 /nfs/dbraw/zinc/97/15/90/826971590.db2.gz APEOSLUKWSTJDD-HNNXBMFYSA-N 2 1 292.427 -0.162 20 30 CBEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001266280986 826971592 /nfs/dbraw/zinc/97/15/92/826971592.db2.gz APEOSLUKWSTJDD-HNNXBMFYSA-N 2 1 292.427 -0.162 20 30 CBEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001266944629 827092808 /nfs/dbraw/zinc/09/28/08/827092808.db2.gz NHZOABUSFBRZJE-LLVKDONJSA-N 2 1 295.387 -0.795 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCCO ZINC001267200615 827127057 /nfs/dbraw/zinc/12/70/57/827127057.db2.gz NPZBRTKWLHLEEU-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCCO ZINC001267200615 827127058 /nfs/dbraw/zinc/12/70/58/827127058.db2.gz NPZBRTKWLHLEEU-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCO ZINC001267200615 827127059 /nfs/dbraw/zinc/12/70/59/827127059.db2.gz NPZBRTKWLHLEEU-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCO ZINC001267200615 827127061 /nfs/dbraw/zinc/12/70/61/827127061.db2.gz NPZBRTKWLHLEEU-ZDUSSCGKSA-N 2 1 267.373 -0.486 20 30 CBEDMP C=CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001267230781 827132685 /nfs/dbraw/zinc/13/26/85/827132685.db2.gz BXNXNNNIJBPWJD-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001267230781 827132689 /nfs/dbraw/zinc/13/26/89/827132689.db2.gz BXNXNNNIJBPWJD-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001267230781 827132692 /nfs/dbraw/zinc/13/26/92/827132692.db2.gz BXNXNNNIJBPWJD-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001267230781 827132695 /nfs/dbraw/zinc/13/26/95/827132695.db2.gz BXNXNNNIJBPWJD-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001267230780 827133463 /nfs/dbraw/zinc/13/34/63/827133463.db2.gz BXNXNNNIJBPWJD-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001267230780 827133465 /nfs/dbraw/zinc/13/34/65/827133465.db2.gz BXNXNNNIJBPWJD-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001267230780 827133469 /nfs/dbraw/zinc/13/34/69/827133469.db2.gz BXNXNNNIJBPWJD-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001267230780 827133472 /nfs/dbraw/zinc/13/34/72/827133472.db2.gz BXNXNNNIJBPWJD-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)NC ZINC001267806423 827224158 /nfs/dbraw/zinc/22/41/58/827224158.db2.gz NQTQQOGBVXLTEG-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)NC ZINC001267806423 827224166 /nfs/dbraw/zinc/22/41/66/827224166.db2.gz NQTQQOGBVXLTEG-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267985920 827238039 /nfs/dbraw/zinc/23/80/39/827238039.db2.gz YAOKUYZQPCNOIC-RYUDHWBXSA-N 2 1 255.362 -0.155 20 30 CBEDMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267985920 827238043 /nfs/dbraw/zinc/23/80/43/827238043.db2.gz YAOKUYZQPCNOIC-RYUDHWBXSA-N 2 1 255.362 -0.155 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCO ZINC001268068609 827252136 /nfs/dbraw/zinc/25/21/36/827252136.db2.gz MUBUKFLIIYXGNY-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCO ZINC001268068609 827252145 /nfs/dbraw/zinc/25/21/45/827252145.db2.gz MUBUKFLIIYXGNY-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268355722 827314726 /nfs/dbraw/zinc/31/47/26/827314726.db2.gz ZIZWQEXFLJYBEB-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268355722 827314736 /nfs/dbraw/zinc/31/47/36/827314736.db2.gz ZIZWQEXFLJYBEB-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H](C)O ZINC001268459673 827335031 /nfs/dbraw/zinc/33/50/31/827335031.db2.gz ZOWCQRAXAWJFRF-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H](C)O ZINC001268459673 827335036 /nfs/dbraw/zinc/33/50/36/827335036.db2.gz ZOWCQRAXAWJFRF-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268684829 827402301 /nfs/dbraw/zinc/40/23/01/827402301.db2.gz VEEGQNRDVSNRPX-STQMWFEESA-N 2 1 285.388 -0.386 20 30 CBEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268684829 827402307 /nfs/dbraw/zinc/40/23/07/827402307.db2.gz VEEGQNRDVSNRPX-STQMWFEESA-N 2 1 285.388 -0.386 20 30 CBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001269078875 827461377 /nfs/dbraw/zinc/46/13/77/827461377.db2.gz WYKNRLGLOFQWFD-LBPRGKRZSA-N 2 1 295.387 -0.842 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001269540995 827517451 /nfs/dbraw/zinc/51/74/51/827517451.db2.gz UCHPSJYJKKLVDT-GFCCVEGCSA-N 2 1 265.357 -0.421 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001271191680 827675069 /nfs/dbraw/zinc/67/50/69/827675069.db2.gz GKCGSWKTQMRPJK-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001271191680 827675073 /nfs/dbraw/zinc/67/50/73/827675073.db2.gz GKCGSWKTQMRPJK-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001271191680 827675076 /nfs/dbraw/zinc/67/50/76/827675076.db2.gz GKCGSWKTQMRPJK-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271218881 827677334 /nfs/dbraw/zinc/67/73/34/827677334.db2.gz DNXHCDWWVBVTEM-OCCSQVGLSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271218881 827677336 /nfs/dbraw/zinc/67/73/36/827677336.db2.gz DNXHCDWWVBVTEM-OCCSQVGLSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271218881 827677337 /nfs/dbraw/zinc/67/73/37/827677337.db2.gz DNXHCDWWVBVTEM-OCCSQVGLSA-N 2 1 265.357 -0.876 20 30 CBEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001271220267 827678329 /nfs/dbraw/zinc/67/83/29/827678329.db2.gz MRSORGWYAWQZSS-OAHLLOKOSA-N 2 1 290.367 -0.232 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001271220267 827678331 /nfs/dbraw/zinc/67/83/31/827678331.db2.gz MRSORGWYAWQZSS-OAHLLOKOSA-N 2 1 290.367 -0.232 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001272434223 827795701 /nfs/dbraw/zinc/79/57/01/827795701.db2.gz CMJZLRIRVACBIJ-LBPRGKRZSA-N 2 1 253.346 -0.829 20 30 CBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001273244373 827877061 /nfs/dbraw/zinc/87/70/61/827877061.db2.gz PZBQWKOQVNNQPT-KGLIPLIRSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001274571503 828002933 /nfs/dbraw/zinc/00/29/33/828002933.db2.gz CNXDLPXVGPETLC-UHFFFAOYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274888418 828038835 /nfs/dbraw/zinc/03/88/35/828038835.db2.gz LYFRFRFIASJABN-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275802405 828116185 /nfs/dbraw/zinc/11/61/85/828116185.db2.gz ZZTXJVWSBXGLAC-NEPJUHHUSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275802405 828116187 /nfs/dbraw/zinc/11/61/87/828116187.db2.gz ZZTXJVWSBXGLAC-NEPJUHHUSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275802405 828116190 /nfs/dbraw/zinc/11/61/90/828116190.db2.gz ZZTXJVWSBXGLAC-NEPJUHHUSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275802405 828116192 /nfs/dbraw/zinc/11/61/92/828116192.db2.gz ZZTXJVWSBXGLAC-NEPJUHHUSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001275919751 828122767 /nfs/dbraw/zinc/12/27/67/828122767.db2.gz FWFFSTYICGMNBZ-QWHCGFSZSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001275919751 828122770 /nfs/dbraw/zinc/12/27/70/828122770.db2.gz FWFFSTYICGMNBZ-QWHCGFSZSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001277542566 828194260 /nfs/dbraw/zinc/19/42/60/828194260.db2.gz VIMIATJTBMRJKV-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001277542566 828194264 /nfs/dbraw/zinc/19/42/64/828194264.db2.gz VIMIATJTBMRJKV-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001277542566 828194266 /nfs/dbraw/zinc/19/42/66/828194266.db2.gz VIMIATJTBMRJKV-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001277542566 828194270 /nfs/dbraw/zinc/19/42/70/828194270.db2.gz VIMIATJTBMRJKV-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277629166 828198876 /nfs/dbraw/zinc/19/88/76/828198876.db2.gz FVDMMGDNRFMMKO-ZIAGYGMSSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277629166 828198880 /nfs/dbraw/zinc/19/88/80/828198880.db2.gz FVDMMGDNRFMMKO-ZIAGYGMSSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001278106001 828248133 /nfs/dbraw/zinc/24/81/33/828248133.db2.gz RASLWZFYKBPUMW-QWHCGFSZSA-N 2 1 267.373 -0.439 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001278106001 828248137 /nfs/dbraw/zinc/24/81/37/828248137.db2.gz RASLWZFYKBPUMW-QWHCGFSZSA-N 2 1 267.373 -0.439 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278736942 828278122 /nfs/dbraw/zinc/27/81/22/828278122.db2.gz DQERIBIAUARWPT-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278742816 828279266 /nfs/dbraw/zinc/27/92/66/828279266.db2.gz GYCXLEGGPSPHKZ-QWHCGFSZSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278742816 828279270 /nfs/dbraw/zinc/27/92/70/828279270.db2.gz GYCXLEGGPSPHKZ-QWHCGFSZSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278742817 828279704 /nfs/dbraw/zinc/27/97/04/828279704.db2.gz GYCXLEGGPSPHKZ-STQMWFEESA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278742817 828279711 /nfs/dbraw/zinc/27/97/11/828279711.db2.gz GYCXLEGGPSPHKZ-STQMWFEESA-N 2 1 285.388 -0.698 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213371421 884777500 /nfs/dbraw/zinc/77/75/00/884777500.db2.gz ZOOLTWXWTLPUQT-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213371421 884777516 /nfs/dbraw/zinc/77/75/16/884777516.db2.gz ZOOLTWXWTLPUQT-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329202504 885965713 /nfs/dbraw/zinc/96/57/13/885965713.db2.gz KYRJKTFYPPETET-RYUDHWBXSA-N 2 1 297.403 -0.551 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145759 884720363 /nfs/dbraw/zinc/72/03/63/884720363.db2.gz NNJLLGICABPMQR-CYBMUJFWSA-N 2 1 296.415 -0.181 20 30 CBEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001326070635 884896374 /nfs/dbraw/zinc/89/63/74/884896374.db2.gz RDZIORGWECQFFO-CYBMUJFWSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001327620602 885432298 /nfs/dbraw/zinc/43/22/98/885432298.db2.gz CTJBAVIKZIZTMB-ZDUSSCGKSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001331712425 886926935 /nfs/dbraw/zinc/92/69/35/886926935.db2.gz OIYBTYNMJJXUDT-FRRDWIJNSA-N 2 1 267.373 -0.583 20 30 CBEDMP C#CC[NH2+]CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC001341510235 889609586 /nfs/dbraw/zinc/60/95/86/889609586.db2.gz ZHDKAQHIIHXNEE-UHFFFAOYSA-N 2 1 273.340 -0.348 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001350828440 891053172 /nfs/dbraw/zinc/05/31/72/891053172.db2.gz FRUFMWOIBCURDB-UHFFFAOYSA-N 2 1 268.361 -0.830 20 30 CBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379281737 898534368 /nfs/dbraw/zinc/53/43/68/898534368.db2.gz FGNVYBXOETUJMP-GHMZBOCLSA-N 2 1 275.780 -0.243 20 30 CBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001502600405 921371359 /nfs/dbraw/zinc/37/13/59/921371359.db2.gz UVWGTZYFCAWPEY-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001502600404 921371437 /nfs/dbraw/zinc/37/14/37/921371437.db2.gz UVWGTZYFCAWPEY-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001505488595 921431412 /nfs/dbraw/zinc/43/14/12/921431412.db2.gz HXJUTSYGBWFVDE-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001505488595 921431418 /nfs/dbraw/zinc/43/14/18/921431418.db2.gz HXJUTSYGBWFVDE-JXQTWKCFSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001506917172 921642246 /nfs/dbraw/zinc/64/22/46/921642246.db2.gz KTMOGGKKVQXQKQ-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001506917172 921642257 /nfs/dbraw/zinc/64/22/57/921642257.db2.gz KTMOGGKKVQXQKQ-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001507059190 921664503 /nfs/dbraw/zinc/66/45/03/921664503.db2.gz CQDGBOHTOTUZCU-UONOGXRCSA-N 2 1 299.415 -0.044 20 30 CBEDMP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001507059190 921664511 /nfs/dbraw/zinc/66/45/11/921664511.db2.gz CQDGBOHTOTUZCU-UONOGXRCSA-N 2 1 299.415 -0.044 20 30 CBEDMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001507063599 921666629 /nfs/dbraw/zinc/66/66/29/921666629.db2.gz RUDJUMJSGOHKIL-NEPJUHHUSA-N 2 1 295.387 -0.843 20 30 CBEDMP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507059188 921666802 /nfs/dbraw/zinc/66/68/02/921666802.db2.gz CQDGBOHTOTUZCU-KGLIPLIRSA-N 2 1 299.415 -0.044 20 30 CBEDMP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507059188 921666804 /nfs/dbraw/zinc/66/68/04/921666804.db2.gz CQDGBOHTOTUZCU-KGLIPLIRSA-N 2 1 299.415 -0.044 20 30 CBEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001507182162 921718688 /nfs/dbraw/zinc/71/86/88/921718688.db2.gz HJBFXWKNHLLHET-VXGBXAGGSA-N 2 1 255.362 -0.277 20 30 CBEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507200135 921735148 /nfs/dbraw/zinc/73/51/48/921735148.db2.gz DOMSBOVYIVBHSP-RYUDHWBXSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001507202076 921737581 /nfs/dbraw/zinc/73/75/81/921737581.db2.gz IKGANVKGDNOZKH-ODBHDECVSA-N 2 1 299.802 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001507202076 921737599 /nfs/dbraw/zinc/73/75/99/921737599.db2.gz IKGANVKGDNOZKH-ODBHDECVSA-N 2 1 299.802 -0.097 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507232358 921763943 /nfs/dbraw/zinc/76/39/43/921763943.db2.gz KJAKPHYEKGFTPV-QWHCGFSZSA-N 2 1 267.373 -0.582 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507263636 921791091 /nfs/dbraw/zinc/79/10/91/921791091.db2.gz ARMLOWGKBUGUQO-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507262114 921791895 /nfs/dbraw/zinc/79/18/95/921791895.db2.gz VOTQWPGNRHJKGO-MNOVXSKESA-N 2 1 275.780 -0.243 20 30 CBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507262114 921791908 /nfs/dbraw/zinc/79/19/08/921791908.db2.gz VOTQWPGNRHJKGO-MNOVXSKESA-N 2 1 275.780 -0.243 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001507261123 921793155 /nfs/dbraw/zinc/79/31/55/921793155.db2.gz PHRRVWGGWYZFSS-GFCCVEGCSA-N 2 1 264.329 -0.718 20 30 CBEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001480010956 916260097 /nfs/dbraw/zinc/26/00/97/916260097.db2.gz SHGFVFUWEKGNDE-QWHCGFSZSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001480010956 916260113 /nfs/dbraw/zinc/26/01/13/916260113.db2.gz SHGFVFUWEKGNDE-QWHCGFSZSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001480054521 916278941 /nfs/dbraw/zinc/27/89/41/916278941.db2.gz YPHWVKABVKNDOT-AWEZNQCLSA-N 2 1 279.384 -0.174 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480122119 916296482 /nfs/dbraw/zinc/29/64/82/916296482.db2.gz NNJLLGICABPMQR-ZDUSSCGKSA-N 2 1 296.415 -0.181 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480571578 916477581 /nfs/dbraw/zinc/47/75/81/916477581.db2.gz IVJCFLAYMAVXBQ-STQMWFEESA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001480597141 916488842 /nfs/dbraw/zinc/48/88/42/916488842.db2.gz ZOHZHIRCDNIBEG-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001480597141 916488854 /nfs/dbraw/zinc/48/88/54/916488854.db2.gz ZOHZHIRCDNIBEG-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481874212 917013889 /nfs/dbraw/zinc/01/38/89/917013889.db2.gz FSUIZYNTJYXGMJ-STQMWFEESA-N 2 1 294.399 -0.828 20 30 CBEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482269500 917110267 /nfs/dbraw/zinc/11/02/67/917110267.db2.gz PFIMKAWGHGPNAW-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482269500 917110273 /nfs/dbraw/zinc/11/02/73/917110273.db2.gz PFIMKAWGHGPNAW-OLZOCXBDSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482588251 917170583 /nfs/dbraw/zinc/17/05/83/917170583.db2.gz PEBKDMUABGEVGB-CYBMUJFWSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001482588251 917170598 /nfs/dbraw/zinc/17/05/98/917170598.db2.gz PEBKDMUABGEVGB-CYBMUJFWSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482588251 917170606 /nfs/dbraw/zinc/17/06/06/917170606.db2.gz PEBKDMUABGEVGB-CYBMUJFWSA-N 2 1 267.373 -0.270 20 30 CBEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482588251 917170616 /nfs/dbraw/zinc/17/06/16/917170616.db2.gz PEBKDMUABGEVGB-CYBMUJFWSA-N 2 1 267.373 -0.270 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483116154 917416554 /nfs/dbraw/zinc/41/65/54/917416554.db2.gz CPYLLACIDYDJPR-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484217292 917766895 /nfs/dbraw/zinc/76/68/95/917766895.db2.gz RGVYOEBNTUSJCN-GOEBONIOSA-N 2 1 291.395 -0.486 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484217290 917768093 /nfs/dbraw/zinc/76/80/93/917768093.db2.gz RGVYOEBNTUSJCN-GDBMZVCRSA-N 2 1 291.395 -0.486 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484238939 917786804 /nfs/dbraw/zinc/78/68/04/917786804.db2.gz NPZRMSUEANEVOF-AWEZNQCLSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[N@H+](C)CCOCCNC(=O)Cn1c[nH+]cc1C ZINC001485773823 918186966 /nfs/dbraw/zinc/18/69/66/918186966.db2.gz MVGUXGMHLFAVTM-UHFFFAOYSA-N 2 1 278.356 -0.111 20 30 CBEDMP C#CC[N@@H+](C)CCOCCNC(=O)Cn1c[nH+]cc1C ZINC001485773823 918186976 /nfs/dbraw/zinc/18/69/76/918186976.db2.gz MVGUXGMHLFAVTM-UHFFFAOYSA-N 2 1 278.356 -0.111 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001486004043 918300266 /nfs/dbraw/zinc/30/02/66/918300266.db2.gz DXXMULGPXIUTSP-OLZOCXBDSA-N 2 1 285.363 -0.490 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001486004043 918300291 /nfs/dbraw/zinc/30/02/91/918300291.db2.gz DXXMULGPXIUTSP-OLZOCXBDSA-N 2 1 285.363 -0.490 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001486024474 918315203 /nfs/dbraw/zinc/31/52/03/918315203.db2.gz OLYRUTDHABBTOR-VXGBXAGGSA-N 2 1 253.346 -0.829 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001486067277 918353193 /nfs/dbraw/zinc/35/31/93/918353193.db2.gz XPTZGUCZXRRCIG-UONOGXRCSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486296282 918413955 /nfs/dbraw/zinc/41/39/55/918413955.db2.gz OZKDZWCYIPFDSJ-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001486332784 918436321 /nfs/dbraw/zinc/43/63/21/918436321.db2.gz IZVHPPYZDHKNKY-KGLIPLIRSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001486332784 918436330 /nfs/dbraw/zinc/43/63/30/918436330.db2.gz IZVHPPYZDHKNKY-KGLIPLIRSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486332784 918436338 /nfs/dbraw/zinc/43/63/38/918436338.db2.gz IZVHPPYZDHKNKY-KGLIPLIRSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486332784 918436347 /nfs/dbraw/zinc/43/63/47/918436347.db2.gz IZVHPPYZDHKNKY-KGLIPLIRSA-N 2 1 299.415 -0.356 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001490500806 918922240 /nfs/dbraw/zinc/92/22/40/918922240.db2.gz KKQYYLLONSONFF-UHFFFAOYSA-N 2 1 292.427 -0.305 20 30 CBEDMP CC#CC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001491609702 919227946 /nfs/dbraw/zinc/22/79/46/919227946.db2.gz FWYBZDGGRJUIFI-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493507301 919566653 /nfs/dbraw/zinc/56/66/53/919566653.db2.gz GCKMCWDOFCOBST-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493507301 919566657 /nfs/dbraw/zinc/56/66/57/919566657.db2.gz GCKMCWDOFCOBST-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493793830 919620495 /nfs/dbraw/zinc/62/04/95/919620495.db2.gz NHFFZZLYSXJRQY-CHWSQXEVSA-N 2 1 296.415 -0.323 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496979002 920190000 /nfs/dbraw/zinc/19/00/00/920190000.db2.gz NESOXJRGIVBESW-HZSPNIEDSA-N 2 1 281.400 -0.193 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497115078 920253061 /nfs/dbraw/zinc/25/30/61/920253061.db2.gz SWNCHEAIYPYPOK-RYUDHWBXSA-N 2 1 255.362 -0.419 20 30 CBEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497798379 920391777 /nfs/dbraw/zinc/39/17/77/920391777.db2.gz DDWTVEFUZXEUFA-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497798379 920391795 /nfs/dbraw/zinc/39/17/95/920391795.db2.gz DDWTVEFUZXEUFA-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497818232 920403026 /nfs/dbraw/zinc/40/30/26/920403026.db2.gz RANUPBZOGYETGM-JHJVBQTASA-N 2 1 296.415 -0.277 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001500695390 920863565 /nfs/dbraw/zinc/86/35/65/920863565.db2.gz KXZPUQWUMPEQCS-HNNXBMFYSA-N 2 1 291.395 -0.199 20 30 CBEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001501445418 921013307 /nfs/dbraw/zinc/01/33/07/921013307.db2.gz ILJRGKOLYZHOKC-ZDUSSCGKSA-N 2 1 285.388 -0.696 20 30 CBEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001501445418 921013317 /nfs/dbraw/zinc/01/33/17/921013317.db2.gz ILJRGKOLYZHOKC-ZDUSSCGKSA-N 2 1 285.388 -0.696 20 30 CBEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001501445417 921013446 /nfs/dbraw/zinc/01/34/46/921013446.db2.gz ILJRGKOLYZHOKC-CYBMUJFWSA-N 2 1 285.388 -0.696 20 30 CBEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001501445417 921013456 /nfs/dbraw/zinc/01/34/56/921013456.db2.gz ILJRGKOLYZHOKC-CYBMUJFWSA-N 2 1 285.388 -0.696 20 30 CBEDMP CNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000066245394 351598540 /nfs/dbraw/zinc/59/85/40/351598540.db2.gz ZDWFVYZOYAGNHW-ZDUSSCGKSA-N 2 1 262.357 -0.060 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000328136735 352783240 /nfs/dbraw/zinc/78/32/40/352783240.db2.gz YNEYKPQSNMJFLW-CYBMUJFWSA-N 2 1 295.343 -0.303 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000328136735 352783241 /nfs/dbraw/zinc/78/32/41/352783241.db2.gz YNEYKPQSNMJFLW-CYBMUJFWSA-N 2 1 295.343 -0.303 20 30 CBEDMP C[C@@H]1C[C@H](O)C[NH+]1CC#CC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000341905780 353218145 /nfs/dbraw/zinc/21/81/45/353218145.db2.gz CRIRAWSLIYXEPA-SYQHCUMBSA-N 2 1 252.358 -0.100 20 30 CBEDMP C[C@@H]1C[C@H](O)C[NH+]1CC#CC[N@H+]1C[C@H](O)C[C@H]1C ZINC000341905780 353218147 /nfs/dbraw/zinc/21/81/47/353218147.db2.gz CRIRAWSLIYXEPA-SYQHCUMBSA-N 2 1 252.358 -0.100 20 30 CBEDMP OC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](CO)C2)C1 ZINC000342144859 353219473 /nfs/dbraw/zinc/21/94/73/353219473.db2.gz WJWUUODSHZULFN-ZIAGYGMSSA-N 2 1 252.358 -0.382 20 30 CBEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000579731444 354979080 /nfs/dbraw/zinc/97/90/80/354979080.db2.gz ZISZNZXXUZBXIE-XQQFMLRXSA-N 2 1 258.362 -0.141 20 30 CBEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000579731444 354979082 /nfs/dbraw/zinc/97/90/82/354979082.db2.gz ZISZNZXXUZBXIE-XQQFMLRXSA-N 2 1 258.362 -0.141 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472277 355155737 /nfs/dbraw/zinc/15/57/37/355155737.db2.gz SJIOYXUCFJURNH-GFCCVEGCSA-N 2 1 297.403 -0.776 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472277 355155739 /nfs/dbraw/zinc/15/57/39/355155739.db2.gz SJIOYXUCFJURNH-GFCCVEGCSA-N 2 1 297.403 -0.776 20 30 CBEDMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600742836 355563795 /nfs/dbraw/zinc/56/37/95/355563795.db2.gz KOBOFHKQTJHYGC-OLZOCXBDSA-N 2 1 279.340 -0.532 20 30 CBEDMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424143901 373666253 /nfs/dbraw/zinc/66/62/53/373666253.db2.gz KCCXYLHTUBUQDB-RWMBFGLXSA-N 2 1 282.388 -0.079 20 30 CBEDMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424143901 373666262 /nfs/dbraw/zinc/66/62/62/373666262.db2.gz KCCXYLHTUBUQDB-RWMBFGLXSA-N 2 1 282.388 -0.079 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnnn1C ZINC000262256564 220248170 /nfs/dbraw/zinc/24/81/70/220248170.db2.gz FHHHWDCNRGXZSR-SNVBAGLBSA-N 2 1 265.365 -0.296 20 30 CBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262529680 220252525 /nfs/dbraw/zinc/25/25/25/220252525.db2.gz MXINIHXDZNEFDF-LBPRGKRZSA-N 2 1 253.394 -0.063 20 30 CBEDMP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000263045531 220260018 /nfs/dbraw/zinc/26/00/18/220260018.db2.gz FHIGELPEZCEYAL-OLZOCXBDSA-N 2 1 283.420 -0.424 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnn(C)n1 ZINC000262799378 220258177 /nfs/dbraw/zinc/25/81/77/220258177.db2.gz QMEYQAGDHYQDRP-VIFPVBQESA-N 2 1 266.353 -0.901 20 30 CBEDMP C=CCNC(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000271964583 220273067 /nfs/dbraw/zinc/27/30/67/220273067.db2.gz SDSZQFXSFNEARV-NSHDSACASA-N 2 1 267.377 -0.323 20 30 CBEDMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330764176 220361861 /nfs/dbraw/zinc/36/18/61/220361861.db2.gz RFJXLZSINDPNKO-JTQLQIEISA-N 2 1 256.350 -0.080 20 30 CBEDMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCc1[nH]nc(N)c1C#N ZINC000563352230 420436535 /nfs/dbraw/zinc/43/65/35/420436535.db2.gz HCMPMFJUDRSBIE-LLVKDONJSA-N 2 1 294.403 0.041 20 30 CBEDMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCc1[nH]nc(N)c1C#N ZINC000563352230 420436539 /nfs/dbraw/zinc/43/65/39/420436539.db2.gz HCMPMFJUDRSBIE-LLVKDONJSA-N 2 1 294.403 0.041 20 30 CBEDMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000563352230 420436541 /nfs/dbraw/zinc/43/65/41/420436541.db2.gz HCMPMFJUDRSBIE-LLVKDONJSA-N 2 1 294.403 0.041 20 30 CBEDMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000563352230 420436545 /nfs/dbraw/zinc/43/65/45/420436545.db2.gz HCMPMFJUDRSBIE-LLVKDONJSA-N 2 1 294.403 0.041 20 30 CBEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000518375319 260389520 /nfs/dbraw/zinc/38/95/20/260389520.db2.gz QFUXUQJMMLSQKF-CABCVRRESA-N 2 1 298.431 -0.371 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000491266570 332177348 /nfs/dbraw/zinc/17/73/48/332177348.db2.gz PQDHOUVFPMCNAO-AWEZNQCLSA-N 2 1 280.416 -0.306 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000491266570 332177349 /nfs/dbraw/zinc/17/73/49/332177349.db2.gz PQDHOUVFPMCNAO-AWEZNQCLSA-N 2 1 280.416 -0.306 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000491339902 332193315 /nfs/dbraw/zinc/19/33/15/332193315.db2.gz UBFYDMLMRQGDQG-CQSZACIVSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000491339902 332193316 /nfs/dbraw/zinc/19/33/16/332193316.db2.gz UBFYDMLMRQGDQG-CQSZACIVSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000491339902 332193317 /nfs/dbraw/zinc/19/33/17/332193317.db2.gz UBFYDMLMRQGDQG-CQSZACIVSA-N 2 1 282.388 -0.693 20 30 CBEDMP C#CCNC(=O)CC[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000491454201 332215104 /nfs/dbraw/zinc/21/51/04/332215104.db2.gz WUFZFUMCESQGRA-UHFFFAOYSA-N 2 1 280.416 -0.259 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000491618671 332245190 /nfs/dbraw/zinc/24/51/90/332245190.db2.gz AWFBNRPKRFVDDF-UHFFFAOYSA-N 2 1 295.431 -0.222 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000748816524 582288656 /nfs/dbraw/zinc/28/86/56/582288656.db2.gz DQZGLUQULGDSOK-OAHLLOKOSA-N 2 1 293.411 -0.142 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000815069432 582460314 /nfs/dbraw/zinc/46/03/14/582460314.db2.gz GRUSSIAJJJVXFE-OAHLLOKOSA-N 2 1 292.427 -0.162 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC000817288803 582490284 /nfs/dbraw/zinc/49/02/84/582490284.db2.gz NEZAOOOGTDRWFW-ZIAGYGMSSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CCN1CCN(C(=O)CN2C[C@H](O)CC[C@H]2C)CC1 ZINC000817288803 582490286 /nfs/dbraw/zinc/49/02/86/582490286.db2.gz NEZAOOOGTDRWFW-ZIAGYGMSSA-N 2 1 279.384 -0.391 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000837188984 583144678 /nfs/dbraw/zinc/14/46/78/583144678.db2.gz JGWPDNUZZYWWPH-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000837188984 583144682 /nfs/dbraw/zinc/14/46/82/583144682.db2.gz JGWPDNUZZYWWPH-GFCCVEGCSA-N 2 1 255.362 -0.371 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000838623742 583151846 /nfs/dbraw/zinc/15/18/46/583151846.db2.gz KJIGBOHIFFJUPP-AWEZNQCLSA-N 2 1 284.404 -0.447 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306131 583439976 /nfs/dbraw/zinc/43/99/76/583439976.db2.gz MSFAIOPVPJDQJC-NWDGAFQWSA-N 2 1 253.346 -0.618 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848525216 583450171 /nfs/dbraw/zinc/45/01/71/583450171.db2.gz LYXIRTMDZVRAMU-CQSZACIVSA-N 2 1 279.384 -0.031 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)N1 ZINC000849000317 583466110 /nfs/dbraw/zinc/46/61/10/583466110.db2.gz RVLUJRVYCJLEQS-GHMZBOCLSA-N 2 1 267.377 -0.489 20 30 CBEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000852914333 583574062 /nfs/dbraw/zinc/57/40/62/583574062.db2.gz SWYHZASBAQUNLO-HNNXBMFYSA-N 2 1 290.411 -0.505 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713070 583780537 /nfs/dbraw/zinc/78/05/37/583780537.db2.gz YUUXWPUNSUIDNT-ILXRZTDVSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861713070 583780539 /nfs/dbraw/zinc/78/05/39/583780539.db2.gz YUUXWPUNSUIDNT-ILXRZTDVSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861713070 583780541 /nfs/dbraw/zinc/78/05/41/583780541.db2.gz YUUXWPUNSUIDNT-ILXRZTDVSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861713070 583780543 /nfs/dbraw/zinc/78/05/43/583780543.db2.gz YUUXWPUNSUIDNT-ILXRZTDVSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@H+](C)CCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000867312018 583947904 /nfs/dbraw/zinc/94/79/04/583947904.db2.gz ZNOHUHUMTLHIRT-UHFFFAOYSA-N 2 1 287.429 -0.045 20 30 CBEDMP C#CC[N@@H+](C)CCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000867312018 583947906 /nfs/dbraw/zinc/94/79/06/583947906.db2.gz ZNOHUHUMTLHIRT-UHFFFAOYSA-N 2 1 287.429 -0.045 20 30 CBEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000878454667 584203663 /nfs/dbraw/zinc/20/36/63/584203663.db2.gz ZWASGPCOHLSGAV-UONOGXRCSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000890366783 584549157 /nfs/dbraw/zinc/54/91/57/584549157.db2.gz DPWKYUJODCTFMG-ZFWWWQNUSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000890366783 584549159 /nfs/dbraw/zinc/54/91/59/584549159.db2.gz DPWKYUJODCTFMG-ZFWWWQNUSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000890366783 584549161 /nfs/dbraw/zinc/54/91/61/584549161.db2.gz DPWKYUJODCTFMG-ZFWWWQNUSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000890366783 584549163 /nfs/dbraw/zinc/54/91/63/584549163.db2.gz DPWKYUJODCTFMG-ZFWWWQNUSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](CC)CCO)C1 ZINC000890367467 584549177 /nfs/dbraw/zinc/54/91/77/584549177.db2.gz MIXXFLYBAMOXTQ-AWEZNQCLSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](CC)CCO)C1 ZINC000890367467 584549179 /nfs/dbraw/zinc/54/91/79/584549179.db2.gz MIXXFLYBAMOXTQ-AWEZNQCLSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](CC)CCO)C1 ZINC000890367467 584549181 /nfs/dbraw/zinc/54/91/81/584549181.db2.gz MIXXFLYBAMOXTQ-AWEZNQCLSA-N 2 1 296.415 -0.303 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](CC)CCO)C1 ZINC000890367467 584549183 /nfs/dbraw/zinc/54/91/83/584549183.db2.gz MIXXFLYBAMOXTQ-AWEZNQCLSA-N 2 1 296.415 -0.303 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492755 584891744 /nfs/dbraw/zinc/89/17/44/584891744.db2.gz SHKWTHCDDULUHR-ZAZJYDDPSA-N 2 1 295.383 -0.111 20 30 CBEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000963653280 612954799 /nfs/dbraw/zinc/95/47/99/612954799.db2.gz KRGJXJVXWHJBSX-SWAPUOLTSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000963653280 612954800 /nfs/dbraw/zinc/95/48/00/612954800.db2.gz KRGJXJVXWHJBSX-SWAPUOLTSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968302382 612962677 /nfs/dbraw/zinc/96/26/77/612962677.db2.gz NNMRETZGVCODNZ-NEPJUHHUSA-N 2 1 251.330 -0.859 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968302382 612962678 /nfs/dbraw/zinc/96/26/78/612962678.db2.gz NNMRETZGVCODNZ-NEPJUHHUSA-N 2 1 251.330 -0.859 20 30 CBEDMP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595729 613039547 /nfs/dbraw/zinc/03/95/47/613039547.db2.gz UVKYGSHJSWRCNO-KGLIPLIRSA-N 2 1 291.395 -0.486 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958474327 613043906 /nfs/dbraw/zinc/04/39/06/613043906.db2.gz JWGLNEDMQULPED-RFQIPJPRSA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958474327 613043907 /nfs/dbraw/zinc/04/39/07/613043907.db2.gz JWGLNEDMQULPED-RFQIPJPRSA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474327 613043909 /nfs/dbraw/zinc/04/39/09/613043909.db2.gz JWGLNEDMQULPED-RFQIPJPRSA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474327 613043911 /nfs/dbraw/zinc/04/39/11/613043911.db2.gz JWGLNEDMQULPED-RFQIPJPRSA-N 2 1 277.368 -0.613 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000971703709 613196379 /nfs/dbraw/zinc/19/63/79/613196379.db2.gz LZTURCMMMSCEMR-KGLIPLIRSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000971703709 613196380 /nfs/dbraw/zinc/19/63/80/613196380.db2.gz LZTURCMMMSCEMR-KGLIPLIRSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC000971703709 613196381 /nfs/dbraw/zinc/19/63/81/613196381.db2.gz LZTURCMMMSCEMR-KGLIPLIRSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCO)C1 ZINC000971703709 613196382 /nfs/dbraw/zinc/19/63/82/613196382.db2.gz LZTURCMMMSCEMR-KGLIPLIRSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000971703708 613196573 /nfs/dbraw/zinc/19/65/73/613196573.db2.gz LZTURCMMMSCEMR-KBPBESRZSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000971703708 613196574 /nfs/dbraw/zinc/19/65/74/613196574.db2.gz LZTURCMMMSCEMR-KBPBESRZSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC000971703708 613196576 /nfs/dbraw/zinc/19/65/76/613196576.db2.gz LZTURCMMMSCEMR-KBPBESRZSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCO)C1 ZINC000971703708 613196577 /nfs/dbraw/zinc/19/65/77/613196577.db2.gz LZTURCMMMSCEMR-KBPBESRZSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCO)C1 ZINC000969866102 613200748 /nfs/dbraw/zinc/20/07/48/613200748.db2.gz SWHJSKBJMWUGJU-JSGCOSHPSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCO)C1 ZINC000969866102 613200749 /nfs/dbraw/zinc/20/07/49/613200749.db2.gz SWHJSKBJMWUGJU-JSGCOSHPSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214405 613288536 /nfs/dbraw/zinc/28/85/36/613288536.db2.gz HDGYHOWCRNOKIJ-ZIAGYGMSSA-N 2 1 291.395 -0.343 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373241 613294216 /nfs/dbraw/zinc/29/42/16/613294216.db2.gz DSETUSYEFBSFKA-KBPBESRZSA-N 2 1 279.384 -0.630 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591756 613301685 /nfs/dbraw/zinc/30/16/85/613301685.db2.gz IEYABFDNSNWXFZ-OLZOCXBDSA-N 2 1 277.368 -0.876 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979056292 613309219 /nfs/dbraw/zinc/30/92/19/613309219.db2.gz BUGNBXNNZGCUES-XDQVBPFNSA-N 2 1 261.369 -0.135 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979056292 613309221 /nfs/dbraw/zinc/30/92/21/613309221.db2.gz BUGNBXNNZGCUES-XDQVBPFNSA-N 2 1 261.369 -0.135 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979056292 613309223 /nfs/dbraw/zinc/30/92/23/613309223.db2.gz BUGNBXNNZGCUES-XDQVBPFNSA-N 2 1 261.369 -0.135 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595457 613624954 /nfs/dbraw/zinc/62/49/54/613624954.db2.gz RTAHZMHSCZOCLF-KGLIPLIRSA-N 2 1 291.395 -0.486 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374011 613816372 /nfs/dbraw/zinc/81/63/72/613816372.db2.gz KVNVHBAARCHSLI-ZIAGYGMSSA-N 2 1 281.400 -0.077 20 30 CBEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960526921 613840174 /nfs/dbraw/zinc/84/01/74/613840174.db2.gz MNERGXYVJVHTOZ-RGDJUOJXSA-N 2 1 279.384 -0.062 20 30 CBEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960526921 613840176 /nfs/dbraw/zinc/84/01/76/613840176.db2.gz MNERGXYVJVHTOZ-RGDJUOJXSA-N 2 1 279.384 -0.062 20 30 CBEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960526921 613840177 /nfs/dbraw/zinc/84/01/77/613840177.db2.gz MNERGXYVJVHTOZ-RGDJUOJXSA-N 2 1 279.384 -0.062 20 30 CBEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960526921 613840178 /nfs/dbraw/zinc/84/01/78/613840178.db2.gz MNERGXYVJVHTOZ-RGDJUOJXSA-N 2 1 279.384 -0.062 20 30 CBEDMP C#CC[C@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000923201708 658169285 /nfs/dbraw/zinc/16/92/85/658169285.db2.gz RJQJMVWWSOOBRM-UONOGXRCSA-N 2 1 298.431 -0.058 20 30 CBEDMP C#CC[C@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000923201708 658169289 /nfs/dbraw/zinc/16/92/89/658169289.db2.gz RJQJMVWWSOOBRM-UONOGXRCSA-N 2 1 298.431 -0.058 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912796 656083207 /nfs/dbraw/zinc/08/32/07/656083207.db2.gz XVNFBQOWZWIFCB-LLVKDONJSA-N 2 1 285.392 -0.910 20 30 CBEDMP CC[C@H](C)NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000194687718 656103428 /nfs/dbraw/zinc/10/34/28/656103428.db2.gz DDYMCZJGASENSH-NSHDSACASA-N 2 1 269.393 -0.147 20 30 CBEDMP C[C@H]1CN(C(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000262494200 656133069 /nfs/dbraw/zinc/13/30/69/656133069.db2.gz VXANMULXUZRATI-NWDGAFQWSA-N 2 1 269.393 -0.732 20 30 CBEDMP CNC(NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)=[NH+]C ZINC000303384733 656138738 /nfs/dbraw/zinc/13/87/38/656138738.db2.gz UXYIAMDBKSKYQK-SNVBAGLBSA-N 2 1 255.366 -0.631 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)C1CC1 ZINC000303788625 656139399 /nfs/dbraw/zinc/13/93/99/656139399.db2.gz UKDVULVADZNVRD-UHFFFAOYSA-N 2 1 297.403 -0.861 20 30 CBEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)CN1CC[NH+](C)CC1 ZINC000303874413 656139505 /nfs/dbraw/zinc/13/95/05/656139505.db2.gz HEHKOHBTFLQDFJ-CYBMUJFWSA-N 2 1 283.420 -0.483 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N(C)C ZINC000303863636 656139547 /nfs/dbraw/zinc/13/95/47/656139547.db2.gz AKCQNIGUQDWYOB-NSHDSACASA-N 2 1 269.393 -0.147 20 30 CBEDMP CN(C)C(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303891332 656139691 /nfs/dbraw/zinc/13/96/91/656139691.db2.gz QQASAZIBBCTJMR-UHFFFAOYSA-N 2 1 285.392 -0.909 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303892559 656140420 /nfs/dbraw/zinc/14/04/20/656140420.db2.gz RIDBMNDZJZNOJY-SNVBAGLBSA-N 2 1 269.393 -0.114 20 30 CBEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)C[NH+]1CCOCC1 ZINC000304760866 656141083 /nfs/dbraw/zinc/14/10/83/656141083.db2.gz SZKHFSBABITSNW-LBPRGKRZSA-N 2 1 270.377 -0.398 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000305781489 656141579 /nfs/dbraw/zinc/14/15/79/656141579.db2.gz OZKMJBIFMXEPAD-GFCCVEGCSA-N 2 1 297.403 -0.766 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000907388571 656499335 /nfs/dbraw/zinc/49/93/35/656499335.db2.gz PRAHDQKOABYOLB-ZDUSSCGKSA-N 2 1 255.362 -0.323 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000907388570 656499700 /nfs/dbraw/zinc/49/97/00/656499700.db2.gz PRAHDQKOABYOLB-CYBMUJFWSA-N 2 1 255.362 -0.323 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999392173 656628561 /nfs/dbraw/zinc/62/85/61/656628561.db2.gz QXINGDRIUNOSAY-OLZOCXBDSA-N 2 1 292.383 -0.850 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999392173 656628565 /nfs/dbraw/zinc/62/85/65/656628565.db2.gz QXINGDRIUNOSAY-OLZOCXBDSA-N 2 1 292.383 -0.850 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000464531 656716987 /nfs/dbraw/zinc/71/69/87/656716987.db2.gz INOXSQMAIKMURJ-CQSZACIVSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001000966177 656779802 /nfs/dbraw/zinc/77/98/02/656779802.db2.gz DLCOZEBVFBAGOK-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001000966177 656779809 /nfs/dbraw/zinc/77/98/09/656779809.db2.gz DLCOZEBVFBAGOK-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001000966185 656780398 /nfs/dbraw/zinc/78/03/98/656780398.db2.gz DLCOZEBVFBAGOK-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001000966185 656780416 /nfs/dbraw/zinc/78/04/16/656780416.db2.gz DLCOZEBVFBAGOK-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000911734955 657119750 /nfs/dbraw/zinc/11/97/50/657119750.db2.gz FFYJRGJHTGYMFE-UHFFFAOYSA-N 2 1 273.340 -0.348 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912993494 657364633 /nfs/dbraw/zinc/36/46/33/657364633.db2.gz ZUQXMLJRIZFUNQ-ZDUSSCGKSA-N 2 1 296.415 -0.050 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014922190 657390757 /nfs/dbraw/zinc/39/07/57/657390757.db2.gz AOFXSOLUTSYREM-HZSPNIEDSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014922190 657390763 /nfs/dbraw/zinc/39/07/63/657390763.db2.gz AOFXSOLUTSYREM-HZSPNIEDSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922190 657390771 /nfs/dbraw/zinc/39/07/71/657390771.db2.gz AOFXSOLUTSYREM-HZSPNIEDSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922190 657390777 /nfs/dbraw/zinc/39/07/77/657390777.db2.gz AOFXSOLUTSYREM-HZSPNIEDSA-N 2 1 279.384 -0.081 20 30 CBEDMP C[C@H](C(=O)NCC#CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000913518383 657485042 /nfs/dbraw/zinc/48/50/42/657485042.db2.gz MYFFOMGZZCGJLO-CYBMUJFWSA-N 2 1 266.389 -0.697 20 30 CBEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913524438 657492827 /nfs/dbraw/zinc/49/28/27/657492827.db2.gz MPIYAQNFKIODIU-VXGBXAGGSA-N 2 1 253.346 -0.613 20 30 CBEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913524438 657492830 /nfs/dbraw/zinc/49/28/30/657492830.db2.gz MPIYAQNFKIODIU-VXGBXAGGSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001016337654 657694044 /nfs/dbraw/zinc/69/40/44/657694044.db2.gz SOQGKEFHSOVPAW-ZFWWWQNUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019031298 657858581 /nfs/dbraw/zinc/85/85/81/657858581.db2.gz IPUFOOPHQDVZIV-FRRDWIJNSA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019031298 657858584 /nfs/dbraw/zinc/85/85/84/657858584.db2.gz IPUFOOPHQDVZIV-FRRDWIJNSA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001021079137 658145581 /nfs/dbraw/zinc/14/55/81/658145581.db2.gz VNQHPAJRBDCVBC-AVGNSLFASA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001021079137 658145602 /nfs/dbraw/zinc/14/56/02/658145602.db2.gz VNQHPAJRBDCVBC-AVGNSLFASA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925319028 658823582 /nfs/dbraw/zinc/82/35/82/658823582.db2.gz YMIWZFWLUURYCS-VXGBXAGGSA-N 2 1 278.356 -0.434 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925319028 658823583 /nfs/dbraw/zinc/82/35/83/658823583.db2.gz YMIWZFWLUURYCS-VXGBXAGGSA-N 2 1 278.356 -0.434 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925319027 658823939 /nfs/dbraw/zinc/82/39/39/658823939.db2.gz YMIWZFWLUURYCS-RYUDHWBXSA-N 2 1 278.356 -0.434 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925319027 658823942 /nfs/dbraw/zinc/82/39/42/658823942.db2.gz YMIWZFWLUURYCS-RYUDHWBXSA-N 2 1 278.356 -0.434 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805454 805626975 /nfs/dbraw/zinc/62/69/75/805626975.db2.gz IJNMYCPYKTUDBU-JHJVBQTASA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805454 805626981 /nfs/dbraw/zinc/62/69/81/805626981.db2.gz IJNMYCPYKTUDBU-JHJVBQTASA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805454 805626984 /nfs/dbraw/zinc/62/69/84/805626984.db2.gz IJNMYCPYKTUDBU-JHJVBQTASA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805454 805626989 /nfs/dbraw/zinc/62/69/89/805626989.db2.gz IJNMYCPYKTUDBU-JHJVBQTASA-N 2 1 267.373 -0.182 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022220523 790998081 /nfs/dbraw/zinc/99/80/81/790998081.db2.gz IGHQLUJHBYNRID-NDBYEHHHSA-N 2 1 292.383 -0.805 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022220523 790998083 /nfs/dbraw/zinc/99/80/83/790998083.db2.gz IGHQLUJHBYNRID-NDBYEHHHSA-N 2 1 292.383 -0.805 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007467 805671444 /nfs/dbraw/zinc/67/14/44/805671444.db2.gz NXOWNGIVDFGZHS-MGPQQGTHSA-N 2 1 279.384 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007467 805671448 /nfs/dbraw/zinc/67/14/48/805671448.db2.gz NXOWNGIVDFGZHS-MGPQQGTHSA-N 2 1 279.384 -0.325 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077027609 805673953 /nfs/dbraw/zinc/67/39/53/805673953.db2.gz MGZPNITUBODXRW-GBJTYRQASA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077027609 805673960 /nfs/dbraw/zinc/67/39/60/805673960.db2.gz MGZPNITUBODXRW-GBJTYRQASA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077027609 805673964 /nfs/dbraw/zinc/67/39/64/805673964.db2.gz MGZPNITUBODXRW-GBJTYRQASA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618413 805756772 /nfs/dbraw/zinc/75/67/72/805756772.db2.gz HRAUMVZOYFEOOH-ZIAGYGMSSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618413 805756776 /nfs/dbraw/zinc/75/67/76/805756776.db2.gz HRAUMVZOYFEOOH-ZIAGYGMSSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779506 805783854 /nfs/dbraw/zinc/78/38/54/805783854.db2.gz RFOWWCOASOFQIG-ZIAGYGMSSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779506 805783860 /nfs/dbraw/zinc/78/38/60/805783860.db2.gz RFOWWCOASOFQIG-ZIAGYGMSSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135294 806148814 /nfs/dbraw/zinc/14/88/14/806148814.db2.gz XFIQJSWOSZMLFM-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135294 806148817 /nfs/dbraw/zinc/14/88/17/806148817.db2.gz XFIQJSWOSZMLFM-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135293 806149534 /nfs/dbraw/zinc/14/95/34/806149534.db2.gz XFIQJSWOSZMLFM-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135293 806149541 /nfs/dbraw/zinc/14/95/41/806149541.db2.gz XFIQJSWOSZMLFM-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457957 806181484 /nfs/dbraw/zinc/18/14/84/806181484.db2.gz PRLHKOXZOUADNS-JHJVBQTASA-N 2 1 265.357 -0.613 20 30 CBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457957 806181491 /nfs/dbraw/zinc/18/14/91/806181491.db2.gz PRLHKOXZOUADNS-JHJVBQTASA-N 2 1 265.357 -0.613 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955009 806470788 /nfs/dbraw/zinc/47/07/88/806470788.db2.gz SQBJWCKEDUDKBH-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955009 806470792 /nfs/dbraw/zinc/47/07/92/806470792.db2.gz SQBJWCKEDUDKBH-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955009 806470797 /nfs/dbraw/zinc/47/07/97/806470797.db2.gz SQBJWCKEDUDKBH-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955009 806470801 /nfs/dbraw/zinc/47/08/01/806470801.db2.gz SQBJWCKEDUDKBH-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023290766 798898193 /nfs/dbraw/zinc/89/81/93/798898193.db2.gz AZRBYGBJUNHMHA-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023290766 798898194 /nfs/dbraw/zinc/89/81/94/798898194.db2.gz AZRBYGBJUNHMHA-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023290766 798898198 /nfs/dbraw/zinc/89/81/98/798898198.db2.gz AZRBYGBJUNHMHA-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023290766 798898203 /nfs/dbraw/zinc/89/82/03/798898203.db2.gz AZRBYGBJUNHMHA-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027807432 799081463 /nfs/dbraw/zinc/08/14/63/799081463.db2.gz QCPCHFFODRPOHR-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027807432 799081468 /nfs/dbraw/zinc/08/14/68/799081468.db2.gz QCPCHFFODRPOHR-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027807432 799081473 /nfs/dbraw/zinc/08/14/73/799081473.db2.gz QCPCHFFODRPOHR-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027807432 799081481 /nfs/dbraw/zinc/08/14/81/799081481.db2.gz QCPCHFFODRPOHR-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001028329188 799123014 /nfs/dbraw/zinc/12/30/14/799123014.db2.gz HXTPRLQEWRDBEI-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028994996 799184272 /nfs/dbraw/zinc/18/42/72/799184272.db2.gz FDGRIJDIDTURPC-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028994996 799184276 /nfs/dbraw/zinc/18/42/76/799184276.db2.gz FDGRIJDIDTURPC-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028994996 799184279 /nfs/dbraw/zinc/18/42/79/799184279.db2.gz FDGRIJDIDTURPC-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028994996 799184284 /nfs/dbraw/zinc/18/42/84/799184284.db2.gz FDGRIJDIDTURPC-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028994998 799184792 /nfs/dbraw/zinc/18/47/92/799184792.db2.gz FDGRIJDIDTURPC-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028994998 799184796 /nfs/dbraw/zinc/18/47/96/799184796.db2.gz FDGRIJDIDTURPC-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028994998 799184800 /nfs/dbraw/zinc/18/48/00/799184800.db2.gz FDGRIJDIDTURPC-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028994998 799184802 /nfs/dbraw/zinc/18/48/02/799184802.db2.gz FDGRIJDIDTURPC-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031597151 799517430 /nfs/dbraw/zinc/51/74/30/799517430.db2.gz VHZLZNFBZMNPFK-ZDUSSCGKSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031597151 799517432 /nfs/dbraw/zinc/51/74/32/799517432.db2.gz VHZLZNFBZMNPFK-ZDUSSCGKSA-N 2 1 265.357 -0.612 20 30 CBEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325867 799891529 /nfs/dbraw/zinc/89/15/29/799891529.db2.gz DLJAWXASIAQJTE-UONOGXRCSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325867 799891537 /nfs/dbraw/zinc/89/15/37/799891537.db2.gz DLJAWXASIAQJTE-UONOGXRCSA-N 2 1 297.399 -0.290 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381207 801857633 /nfs/dbraw/zinc/85/76/33/801857633.db2.gz HGQRIGVYNMJMCO-KKUMJFAQSA-N 2 1 291.395 -0.535 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381207 801857639 /nfs/dbraw/zinc/85/76/39/801857639.db2.gz HGQRIGVYNMJMCO-KKUMJFAQSA-N 2 1 291.395 -0.535 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047385102 801859110 /nfs/dbraw/zinc/85/91/10/801859110.db2.gz YWXGWRYWFSQVEK-KBXIAJHMSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047385102 801859119 /nfs/dbraw/zinc/85/91/19/801859119.db2.gz YWXGWRYWFSQVEK-KBXIAJHMSA-N 2 1 293.411 -0.147 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047385102 801859126 /nfs/dbraw/zinc/85/91/26/801859126.db2.gz YWXGWRYWFSQVEK-KBXIAJHMSA-N 2 1 293.411 -0.147 20 30 CBEDMP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047529066 801893793 /nfs/dbraw/zinc/89/37/93/801893793.db2.gz OYSYKLPTTCCBSG-KKUMJFAQSA-N 2 1 293.411 -0.003 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047528508 801893869 /nfs/dbraw/zinc/89/38/69/801893869.db2.gz SGVNWGVTOYYCNJ-KKUMJFAQSA-N 2 1 293.411 -0.003 20 30 CBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544069 801898236 /nfs/dbraw/zinc/89/82/36/801898236.db2.gz LRVKVLHBUUVMEG-RYUDHWBXSA-N 2 1 264.329 -0.358 20 30 CBEDMP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544069 801898243 /nfs/dbraw/zinc/89/82/43/801898243.db2.gz LRVKVLHBUUVMEG-RYUDHWBXSA-N 2 1 264.329 -0.358 20 30 CBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047598137 801908201 /nfs/dbraw/zinc/90/82/01/801908201.db2.gz WXZGMTWPGSWOBA-KKUMJFAQSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047598137 801908205 /nfs/dbraw/zinc/90/82/05/801908205.db2.gz WXZGMTWPGSWOBA-KKUMJFAQSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047598137 801908209 /nfs/dbraw/zinc/90/82/09/801908209.db2.gz WXZGMTWPGSWOBA-KKUMJFAQSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047598137 801908211 /nfs/dbraw/zinc/90/82/11/801908211.db2.gz WXZGMTWPGSWOBA-KKUMJFAQSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047628468 801914219 /nfs/dbraw/zinc/91/42/19/801914219.db2.gz GJXHDEWPSKJKDT-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047628468 801914223 /nfs/dbraw/zinc/91/42/23/801914223.db2.gz GJXHDEWPSKJKDT-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047628468 801914226 /nfs/dbraw/zinc/91/42/26/801914226.db2.gz GJXHDEWPSKJKDT-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472766 802064731 /nfs/dbraw/zinc/06/47/31/802064731.db2.gz YYYXDSMNPBEUFP-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472766 802064737 /nfs/dbraw/zinc/06/47/37/802064737.db2.gz YYYXDSMNPBEUFP-AWEZNQCLSA-N 2 1 291.395 -0.125 20 30 CBEDMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001118134427 812474908 /nfs/dbraw/zinc/47/49/08/812474908.db2.gz SPBWHKGSAZORPJ-VXGBXAGGSA-N 2 1 268.361 -0.156 20 30 CBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001321562862 803784752 /nfs/dbraw/zinc/78/47/52/803784752.db2.gz HSVSOCQRKKPIOD-VXGBXAGGSA-N 2 1 295.387 -0.795 20 30 CBEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001322243081 803879690 /nfs/dbraw/zinc/87/96/90/803879690.db2.gz BTGLQNXMZZYAAD-RYUDHWBXSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001322243081 803879699 /nfs/dbraw/zinc/87/96/99/803879699.db2.gz BTGLQNXMZZYAAD-RYUDHWBXSA-N 2 1 297.403 -0.597 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049232 815051493 /nfs/dbraw/zinc/05/14/93/815051493.db2.gz KONODELYFSNZIZ-GFCCVEGCSA-N 2 1 253.346 -0.706 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147013 815063578 /nfs/dbraw/zinc/06/35/78/815063578.db2.gz DCOKNKDJSQWCOU-NSHDSACASA-N 2 1 293.371 -0.412 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122270 815063765 /nfs/dbraw/zinc/06/37/65/815063765.db2.gz QAWCKIIRPPOWCW-LLVKDONJSA-N 2 1 291.355 -0.965 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155789544 815310987 /nfs/dbraw/zinc/31/09/87/815310987.db2.gz DZNWMRRTJCBKTG-LBPRGKRZSA-N 2 1 282.388 -0.521 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155789543 815311482 /nfs/dbraw/zinc/31/14/82/815311482.db2.gz DZNWMRRTJCBKTG-GFCCVEGCSA-N 2 1 282.388 -0.521 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155791536 815313885 /nfs/dbraw/zinc/31/38/85/815313885.db2.gz WJTPQIDSOFOHOP-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156124994 815338187 /nfs/dbraw/zinc/33/81/87/815338187.db2.gz DIPMERZWQDRLOR-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156124994 815338197 /nfs/dbraw/zinc/33/81/97/815338197.db2.gz DIPMERZWQDRLOR-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086331774 810261769 /nfs/dbraw/zinc/26/17/69/810261769.db2.gz GOFGGFVMACGLHW-JHJVBQTASA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086331774 810261773 /nfs/dbraw/zinc/26/17/73/810261773.db2.gz GOFGGFVMACGLHW-JHJVBQTASA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086556965 810280353 /nfs/dbraw/zinc/28/03/53/810280353.db2.gz RSCMBXCYSCIDNT-MGPQQGTHSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086556965 810280355 /nfs/dbraw/zinc/28/03/55/810280355.db2.gz RSCMBXCYSCIDNT-MGPQQGTHSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540256 810520661 /nfs/dbraw/zinc/52/06/61/810520661.db2.gz NZLYOSCXVGLNPB-ZIAGYGMSSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540256 810520664 /nfs/dbraw/zinc/52/06/64/810520664.db2.gz NZLYOSCXVGLNPB-ZIAGYGMSSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090619958 810530656 /nfs/dbraw/zinc/53/06/56/810530656.db2.gz BGMCXBKCDSUSSQ-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090619958 810530661 /nfs/dbraw/zinc/53/06/61/810530661.db2.gz BGMCXBKCDSUSSQ-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090619960 810531513 /nfs/dbraw/zinc/53/15/13/810531513.db2.gz BGMCXBKCDSUSSQ-GJZGRUSLSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090619960 810531519 /nfs/dbraw/zinc/53/15/19/810531519.db2.gz BGMCXBKCDSUSSQ-GJZGRUSLSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090815082 810569835 /nfs/dbraw/zinc/56/98/35/810569835.db2.gz MIDZRXDHMQPJCR-STQMWFEESA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090813799 810570239 /nfs/dbraw/zinc/57/02/39/810570239.db2.gz WFFFGIXLMKLOTI-STQMWFEESA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090813799 810570246 /nfs/dbraw/zinc/57/02/46/810570246.db2.gz WFFFGIXLMKLOTI-STQMWFEESA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001090970330 810583474 /nfs/dbraw/zinc/58/34/74/810583474.db2.gz UKUKMBCKGNGJQQ-BPCQOVAHSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001090970330 810583481 /nfs/dbraw/zinc/58/34/81/810583481.db2.gz UKUKMBCKGNGJQQ-BPCQOVAHSA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099876333 810959218 /nfs/dbraw/zinc/95/92/18/810959218.db2.gz BTYIISCGZKCCSY-KGLIPLIRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099876333 810959221 /nfs/dbraw/zinc/95/92/21/810959221.db2.gz BTYIISCGZKCCSY-KGLIPLIRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099876333 810959224 /nfs/dbraw/zinc/95/92/24/810959224.db2.gz BTYIISCGZKCCSY-KGLIPLIRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099876333 810959228 /nfs/dbraw/zinc/95/92/28/810959228.db2.gz BTYIISCGZKCCSY-KGLIPLIRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986290 810983642 /nfs/dbraw/zinc/98/36/42/810983642.db2.gz IROHSXLUILOTCN-RYUDHWBXSA-N 2 1 255.362 -0.325 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986161 810983817 /nfs/dbraw/zinc/98/38/17/810983817.db2.gz IISNXLLSZJFUDG-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986161 810983823 /nfs/dbraw/zinc/98/38/23/810983823.db2.gz IISNXLLSZJFUDG-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987240 810986285 /nfs/dbraw/zinc/98/62/85/810986285.db2.gz WULYARUPHUABHG-KBPBESRZSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100049116 811003155 /nfs/dbraw/zinc/00/31/55/811003155.db2.gz XNXADYGZHANUQC-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100049116 811003158 /nfs/dbraw/zinc/00/31/58/811003158.db2.gz XNXADYGZHANUQC-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048793 811003524 /nfs/dbraw/zinc/00/35/24/811003524.db2.gz RCHKPLAWJMHTGQ-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048794 811003911 /nfs/dbraw/zinc/00/39/11/811003911.db2.gz RCHKPLAWJMHTGQ-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100064123 811009267 /nfs/dbraw/zinc/00/92/67/811009267.db2.gz IJOZLHCEHCOITD-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064123 811009272 /nfs/dbraw/zinc/00/92/72/811009272.db2.gz IJOZLHCEHCOITD-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064123 811009280 /nfs/dbraw/zinc/00/92/80/811009280.db2.gz IJOZLHCEHCOITD-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074720 811014381 /nfs/dbraw/zinc/01/43/81/811014381.db2.gz RHPDTLAVOSZIRF-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100078132 811015342 /nfs/dbraw/zinc/01/53/42/811015342.db2.gz DHGCDHUNIFLKDK-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100078132 811015343 /nfs/dbraw/zinc/01/53/43/811015343.db2.gz DHGCDHUNIFLKDK-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078132 811015350 /nfs/dbraw/zinc/01/53/50/811015350.db2.gz DHGCDHUNIFLKDK-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078132 811015359 /nfs/dbraw/zinc/01/53/59/811015359.db2.gz DHGCDHUNIFLKDK-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073342 811015400 /nfs/dbraw/zinc/01/54/00/811015400.db2.gz CGXCCRUVOUQISH-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076003 811015442 /nfs/dbraw/zinc/01/54/42/811015442.db2.gz DNOWUZMYHJIMCC-UONOGXRCSA-N 2 1 297.399 -0.861 20 30 CBEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114976139 812170286 /nfs/dbraw/zinc/17/02/86/812170286.db2.gz TYPDGMHTPRAKTB-NHAGDIPZSA-N 2 1 279.384 -0.059 20 30 CBEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114976139 812170290 /nfs/dbraw/zinc/17/02/90/812170290.db2.gz TYPDGMHTPRAKTB-NHAGDIPZSA-N 2 1 279.384 -0.059 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065824 813710096 /nfs/dbraw/zinc/71/00/96/813710096.db2.gz FIWSXXRYECHDDN-ZDUSSCGKSA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127690207 813742546 /nfs/dbraw/zinc/74/25/46/813742546.db2.gz HJOTZBIIKNHJIX-QWHCGFSZSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778467 813747284 /nfs/dbraw/zinc/74/72/84/813747284.db2.gz FQPBYENWZLARBF-VXGBXAGGSA-N 2 1 253.346 -0.259 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129380370 813840285 /nfs/dbraw/zinc/84/02/85/813840285.db2.gz HWNBBJNJSVYWCG-LBPRGKRZSA-N 2 1 263.345 -0.848 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526947 813848587 /nfs/dbraw/zinc/84/85/87/813848587.db2.gz UHNJENXVANUPTG-UHFFFAOYSA-N 2 1 282.388 -0.521 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001129770921 813863353 /nfs/dbraw/zinc/86/33/53/813863353.db2.gz NTPFTCWIFMAJPL-KBPBESRZSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001129770921 813863364 /nfs/dbraw/zinc/86/33/64/813863364.db2.gz NTPFTCWIFMAJPL-KBPBESRZSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001129774682 813864457 /nfs/dbraw/zinc/86/44/57/813864457.db2.gz DOPRQZZZZQJCIA-AWEZNQCLSA-N 2 1 289.383 -0.277 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccnn1C ZINC001129774682 813864467 /nfs/dbraw/zinc/86/44/67/813864467.db2.gz DOPRQZZZZQJCIA-AWEZNQCLSA-N 2 1 289.383 -0.277 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182701 813913396 /nfs/dbraw/zinc/91/33/96/813913396.db2.gz UDVALQYWIGWDJP-CHWSQXEVSA-N 2 1 283.372 -0.939 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182701 813913401 /nfs/dbraw/zinc/91/34/01/813913401.db2.gz UDVALQYWIGWDJP-CHWSQXEVSA-N 2 1 283.372 -0.939 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130422167 813939694 /nfs/dbraw/zinc/93/96/94/813939694.db2.gz ZATXLVVWBSZKCG-GFCCVEGCSA-N 2 1 296.415 -0.440 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133820062 814302546 /nfs/dbraw/zinc/30/25/46/814302546.db2.gz XBEBHOBTBMFFKH-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)NCC#N)CC(C)(C)C ZINC001133899559 814321329 /nfs/dbraw/zinc/32/13/29/814321329.db2.gz LXMVVQWDNKIMLI-UHFFFAOYSA-N 2 1 297.403 -0.690 20 30 CBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[N@H+](C)CC)C1=O ZINC001146704525 814843647 /nfs/dbraw/zinc/84/36/47/814843647.db2.gz DANULWBAUZACBU-ZDUSSCGKSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711169 814844194 /nfs/dbraw/zinc/84/41/94/814844194.db2.gz PYKMDOPTTXBAPV-GFCCVEGCSA-N 2 1 282.388 -0.828 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900121 814923751 /nfs/dbraw/zinc/92/37/51/814923751.db2.gz HZVPPUNUYJRHGJ-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#C[C@](C)([NH3+])C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160538680 815634306 /nfs/dbraw/zinc/63/43/06/815634306.db2.gz JVVVEGVRHPJYLJ-ZANVPECISA-N 2 1 259.313 -0.222 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161041059 815704337 /nfs/dbraw/zinc/70/43/37/815704337.db2.gz DYEWMJZXADABFZ-ZDUSSCGKSA-N 2 1 294.399 -0.684 20 30 CBEDMP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317287103 816958741 /nfs/dbraw/zinc/95/87/41/816958741.db2.gz YBVXILVZTABJCY-NEPJUHHUSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317287103 816958746 /nfs/dbraw/zinc/95/87/46/816958746.db2.gz YBVXILVZTABJCY-NEPJUHHUSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317443330 816978878 /nfs/dbraw/zinc/97/88/78/816978878.db2.gz ORFSHDQPXPPXKM-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317443330 816978883 /nfs/dbraw/zinc/97/88/83/816978883.db2.gz ORFSHDQPXPPXKM-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317443330 816978886 /nfs/dbraw/zinc/97/88/86/816978886.db2.gz ORFSHDQPXPPXKM-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317443330 816978890 /nfs/dbraw/zinc/97/88/90/816978890.db2.gz ORFSHDQPXPPXKM-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317443331 816980408 /nfs/dbraw/zinc/98/04/08/816980408.db2.gz ORFSHDQPXPPXKM-OLZOCXBDSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317443331 816980410 /nfs/dbraw/zinc/98/04/10/816980410.db2.gz ORFSHDQPXPPXKM-OLZOCXBDSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317443331 816980412 /nfs/dbraw/zinc/98/04/12/816980412.db2.gz ORFSHDQPXPPXKM-OLZOCXBDSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317443331 816980414 /nfs/dbraw/zinc/98/04/14/816980414.db2.gz ORFSHDQPXPPXKM-OLZOCXBDSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001319224744 817178173 /nfs/dbraw/zinc/17/81/73/817178173.db2.gz JBWVNBCDPRMHEB-CHWSQXEVSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320199345 817289123 /nfs/dbraw/zinc/28/91/23/817289123.db2.gz BGUPXOGBCPEJAY-NEPJUHHUSA-N 2 1 255.362 -0.277 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320315445 817321543 /nfs/dbraw/zinc/32/15/43/817321543.db2.gz UJISGIDLOUWPJJ-RYUDHWBXSA-N 2 1 253.346 -0.972 20 30 CBEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166668285 820015265 /nfs/dbraw/zinc/01/52/65/820015265.db2.gz XUKUZXQFAAVIJJ-LBPRGKRZSA-N 2 1 295.387 -0.936 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176643748 820454992 /nfs/dbraw/zinc/45/49/92/820454992.db2.gz HLMDHHGOQBPUAT-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176643748 820454997 /nfs/dbraw/zinc/45/49/97/820454997.db2.gz HLMDHHGOQBPUAT-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181651357 820807903 /nfs/dbraw/zinc/80/79/03/820807903.db2.gz BJICONSLWOYHML-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183581909 821007312 /nfs/dbraw/zinc/00/73/12/821007312.db2.gz ORIIECKCRSCEON-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183581909 821007322 /nfs/dbraw/zinc/00/73/22/821007322.db2.gz ORIIECKCRSCEON-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186056340 821164619 /nfs/dbraw/zinc/16/46/19/821164619.db2.gz XWXFHFISUIHKPD-QWHCGFSZSA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186056340 821164625 /nfs/dbraw/zinc/16/46/25/821164625.db2.gz XWXFHFISUIHKPD-QWHCGFSZSA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](O)C1 ZINC001186056340 821164633 /nfs/dbraw/zinc/16/46/33/821164633.db2.gz XWXFHFISUIHKPD-QWHCGFSZSA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](O)C1 ZINC001186056340 821164639 /nfs/dbraw/zinc/16/46/39/821164639.db2.gz XWXFHFISUIHKPD-QWHCGFSZSA-N 2 1 267.373 -0.180 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001280567257 828360981 /nfs/dbraw/zinc/36/09/81/828360981.db2.gz QVZFXDQNTKGMCE-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001280668373 828371211 /nfs/dbraw/zinc/37/12/11/828371211.db2.gz LWHBJALNBUYKLP-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCO ZINC001280823940 828377831 /nfs/dbraw/zinc/37/78/31/828377831.db2.gz YHKOMADLKPSKPN-AWEZNQCLSA-N 2 1 281.400 -0.143 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCO ZINC001280823940 828377840 /nfs/dbraw/zinc/37/78/40/828377840.db2.gz YHKOMADLKPSKPN-AWEZNQCLSA-N 2 1 281.400 -0.143 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCO ZINC001280823940 828377847 /nfs/dbraw/zinc/37/78/47/828377847.db2.gz YHKOMADLKPSKPN-AWEZNQCLSA-N 2 1 281.400 -0.143 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCO ZINC001280823940 828377858 /nfs/dbraw/zinc/37/78/58/828377858.db2.gz YHKOMADLKPSKPN-AWEZNQCLSA-N 2 1 281.400 -0.143 20 30 CBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001281161925 828406170 /nfs/dbraw/zinc/40/61/70/828406170.db2.gz AXZFCFXDFJJIBT-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187981898 822313052 /nfs/dbraw/zinc/31/30/52/822313052.db2.gz CPPQVUQLXJRPCW-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187981898 822313064 /nfs/dbraw/zinc/31/30/64/822313064.db2.gz CPPQVUQLXJRPCW-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282366409 828443037 /nfs/dbraw/zinc/44/30/37/828443037.db2.gz JYEDRBJAPKUESJ-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282366409 828443041 /nfs/dbraw/zinc/44/30/41/828443041.db2.gz JYEDRBJAPKUESJ-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001282366409 828443044 /nfs/dbraw/zinc/44/30/44/828443044.db2.gz JYEDRBJAPKUESJ-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001282366409 828443045 /nfs/dbraw/zinc/44/30/45/828443045.db2.gz JYEDRBJAPKUESJ-VXGBXAGGSA-N 2 1 255.362 -0.061 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CCC ZINC001283823710 828553553 /nfs/dbraw/zinc/55/35/53/828553553.db2.gz JEQGDCUWFGOGAG-GFCCVEGCSA-N 2 1 255.362 -0.582 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001190722717 823841970 /nfs/dbraw/zinc/84/19/70/823841970.db2.gz GHZPVKBFTHWBPF-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001190722717 823841982 /nfs/dbraw/zinc/84/19/82/823841982.db2.gz GHZPVKBFTHWBPF-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCO)C1 ZINC001190722717 823841991 /nfs/dbraw/zinc/84/19/91/823841991.db2.gz GHZPVKBFTHWBPF-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCO)C1 ZINC001190722717 823842001 /nfs/dbraw/zinc/84/20/01/823842001.db2.gz GHZPVKBFTHWBPF-GJZGRUSLSA-N 2 1 293.411 -0.001 20 30 CBEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192143404 823952872 /nfs/dbraw/zinc/95/28/72/823952872.db2.gz NDWAYPZGIPTDHK-GFCCVEGCSA-N 2 1 295.387 -0.889 20 30 CBEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192143404 823952874 /nfs/dbraw/zinc/95/28/74/823952874.db2.gz NDWAYPZGIPTDHK-GFCCVEGCSA-N 2 1 295.387 -0.889 20 30 CBEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192142006 823954140 /nfs/dbraw/zinc/95/41/40/823954140.db2.gz GEWKMARSXJTLDC-ZDUSSCGKSA-N 2 1 296.415 -0.227 20 30 CBEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192142006 823954147 /nfs/dbraw/zinc/95/41/47/823954147.db2.gz GEWKMARSXJTLDC-ZDUSSCGKSA-N 2 1 296.415 -0.227 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193829118 824047904 /nfs/dbraw/zinc/04/79/04/824047904.db2.gz WKZXYZRTCVJEQL-ZIAGYGMSSA-N 2 1 279.384 -0.345 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193829118 824047907 /nfs/dbraw/zinc/04/79/07/824047907.db2.gz WKZXYZRTCVJEQL-ZIAGYGMSSA-N 2 1 279.384 -0.345 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193829118 824047910 /nfs/dbraw/zinc/04/79/10/824047910.db2.gz WKZXYZRTCVJEQL-ZIAGYGMSSA-N 2 1 279.384 -0.345 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193829118 824047913 /nfs/dbraw/zinc/04/79/13/824047913.db2.gz WKZXYZRTCVJEQL-ZIAGYGMSSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892354 824048575 /nfs/dbraw/zinc/04/85/75/824048575.db2.gz KXEIIDSLLOHQPM-BFHYXJOUSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193892354 824048578 /nfs/dbraw/zinc/04/85/78/824048578.db2.gz KXEIIDSLLOHQPM-BFHYXJOUSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892354 824048582 /nfs/dbraw/zinc/04/85/82/824048582.db2.gz KXEIIDSLLOHQPM-BFHYXJOUSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892354 824048586 /nfs/dbraw/zinc/04/85/86/824048586.db2.gz KXEIIDSLLOHQPM-BFHYXJOUSA-N 2 1 279.384 -0.345 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195691578 824127862 /nfs/dbraw/zinc/12/78/62/824127862.db2.gz OKARLFJCVCFRGA-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195691578 824127867 /nfs/dbraw/zinc/12/78/67/824127867.db2.gz OKARLFJCVCFRGA-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198028676 824215829 /nfs/dbraw/zinc/21/58/29/824215829.db2.gz FYHFJCYQUDEKIR-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198028676 824215831 /nfs/dbraw/zinc/21/58/31/824215831.db2.gz FYHFJCYQUDEKIR-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198028676 824215835 /nfs/dbraw/zinc/21/58/35/824215835.db2.gz FYHFJCYQUDEKIR-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198655050 824235202 /nfs/dbraw/zinc/23/52/02/824235202.db2.gz YUKWMSXTFBDZLB-BFHYXJOUSA-N 2 1 297.399 -0.698 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198655050 824235211 /nfs/dbraw/zinc/23/52/11/824235211.db2.gz YUKWMSXTFBDZLB-BFHYXJOUSA-N 2 1 297.399 -0.698 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198655050 824235220 /nfs/dbraw/zinc/23/52/20/824235220.db2.gz YUKWMSXTFBDZLB-BFHYXJOUSA-N 2 1 297.399 -0.698 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111970 824249286 /nfs/dbraw/zinc/24/92/86/824249286.db2.gz UUQMCZBNIVZHAL-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111970 824249295 /nfs/dbraw/zinc/24/92/95/824249295.db2.gz UUQMCZBNIVZHAL-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111970 824249303 /nfs/dbraw/zinc/24/93/03/824249303.db2.gz UUQMCZBNIVZHAL-CHWSQXEVSA-N 2 1 267.373 -0.489 20 30 CBEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735073 824437795 /nfs/dbraw/zinc/43/77/95/824437795.db2.gz VKVWOJKXJFZLLR-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735073 824437793 /nfs/dbraw/zinc/43/77/93/824437793.db2.gz VKVWOJKXJFZLLR-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386741 824530955 /nfs/dbraw/zinc/53/09/55/824530955.db2.gz LQBQZNCJPOHTKL-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386741 824530959 /nfs/dbraw/zinc/53/09/59/824530959.db2.gz LQBQZNCJPOHTKL-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219874900 824905497 /nfs/dbraw/zinc/90/54/97/824905497.db2.gz HPPWSCGCJUGFBJ-UTUOFQBUSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219874900 824905505 /nfs/dbraw/zinc/90/55/05/824905505.db2.gz HPPWSCGCJUGFBJ-UTUOFQBUSA-N 2 1 255.362 -0.326 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230313 824990662 /nfs/dbraw/zinc/99/06/62/824990662.db2.gz AQHCUWMANAXDTF-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230313 824990664 /nfs/dbraw/zinc/99/06/64/824990664.db2.gz AQHCUWMANAXDTF-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276892 825003545 /nfs/dbraw/zinc/00/35/45/825003545.db2.gz MKBBRZHJWKSFCN-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276892 825003533 /nfs/dbraw/zinc/00/35/33/825003533.db2.gz MKBBRZHJWKSFCN-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764804 825099497 /nfs/dbraw/zinc/09/94/97/825099497.db2.gz XFBATOJOBCYZHG-OLZOCXBDSA-N 2 1 285.388 -0.698 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220825851 825106607 /nfs/dbraw/zinc/10/66/07/825106607.db2.gz FYHFJCYQUDEKIR-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220825851 825106617 /nfs/dbraw/zinc/10/66/17/825106617.db2.gz FYHFJCYQUDEKIR-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220825851 825106621 /nfs/dbraw/zinc/10/66/21/825106621.db2.gz FYHFJCYQUDEKIR-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220868375 825115325 /nfs/dbraw/zinc/11/53/25/825115325.db2.gz HOZAMVXKPBIPLH-QWHCGFSZSA-N 2 1 294.399 -0.917 20 30 CBEDMP C=CCOC[C@@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246022711 825623592 /nfs/dbraw/zinc/62/35/92/825623592.db2.gz AVLCBCMHKIDSAF-QWHCGFSZSA-N 2 1 255.362 -0.813 20 30 CBEDMP N#C[C@@H]1C[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246554474 825684984 /nfs/dbraw/zinc/68/49/84/825684984.db2.gz VGIMOPJCDWQFMO-XQQFMLRXSA-N 2 1 252.362 -0.194 20 30 CBEDMP N#C[C@@H]1C[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246592317 825692796 /nfs/dbraw/zinc/69/27/96/825692796.db2.gz AGQXIIBYXGQPGN-QWHCGFSZSA-N 2 1 263.389 -0.342 20 30 CBEDMP N#C[C@H]1CC[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246820220 825715799 /nfs/dbraw/zinc/71/57/99/825715799.db2.gz JNNHIGRDXWVZJM-UONOGXRCSA-N 2 1 265.405 -0.237 20 30 CBEDMP C=CCOC[C@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252470366 825869049 /nfs/dbraw/zinc/86/90/49/825869049.db2.gz KFWJOXPZDNWNIL-CQSZACIVSA-N 2 1 299.415 -0.354 20 30 CBEDMP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001263305692 826762546 /nfs/dbraw/zinc/76/25/46/826762546.db2.gz DPAFFCGYZZRQTG-ZFWWWQNUSA-N 2 1 292.427 -0.260 20 30 CBEDMP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(C)CCN1C ZINC001263305692 826762551 /nfs/dbraw/zinc/76/25/51/826762551.db2.gz DPAFFCGYZZRQTG-ZFWWWQNUSA-N 2 1 292.427 -0.260 20 30 CBEDMP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001263305690 826762698 /nfs/dbraw/zinc/76/26/98/826762698.db2.gz DPAFFCGYZZRQTG-HIFRSBDPSA-N 2 1 292.427 -0.260 20 30 CBEDMP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(C)CCN1C ZINC001263305690 826762699 /nfs/dbraw/zinc/76/26/99/826762699.db2.gz DPAFFCGYZZRQTG-HIFRSBDPSA-N 2 1 292.427 -0.260 20 30 CBEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001264633888 826816219 /nfs/dbraw/zinc/81/62/19/826816219.db2.gz HKRXLMVCFOTRKY-CQSZACIVSA-N 2 1 281.400 -0.143 20 30 CBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265441310 826892727 /nfs/dbraw/zinc/89/27/27/826892727.db2.gz BJICONSLWOYHML-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265789982 826919298 /nfs/dbraw/zinc/91/92/98/826919298.db2.gz CNJGDRDCOALWIY-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001266023781 826947310 /nfs/dbraw/zinc/94/73/10/826947310.db2.gz RHEZGQGKGNNTNA-CQSZACIVSA-N 2 1 279.384 -0.220 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266359435 826988263 /nfs/dbraw/zinc/98/82/63/826988263.db2.gz VIIGIDBZFXONJW-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266359435 826988270 /nfs/dbraw/zinc/98/82/70/826988270.db2.gz VIIGIDBZFXONJW-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266359435 826988278 /nfs/dbraw/zinc/98/82/78/826988278.db2.gz VIIGIDBZFXONJW-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266359435 826988286 /nfs/dbraw/zinc/98/82/86/826988286.db2.gz VIIGIDBZFXONJW-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001266362526 826992737 /nfs/dbraw/zinc/99/27/37/826992737.db2.gz KYHYECUONSNBET-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001266362526 826992742 /nfs/dbraw/zinc/99/27/42/826992742.db2.gz KYHYECUONSNBET-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362526 826992752 /nfs/dbraw/zinc/99/27/52/826992752.db2.gz KYHYECUONSNBET-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362526 826992761 /nfs/dbraw/zinc/99/27/61/826992761.db2.gz KYHYECUONSNBET-CYBMUJFWSA-N 2 1 296.415 -0.488 20 30 CBEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266517234 827015292 /nfs/dbraw/zinc/01/52/92/827015292.db2.gz QCSVSJLIGHXSMT-UONOGXRCSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266517234 827015304 /nfs/dbraw/zinc/01/53/04/827015304.db2.gz QCSVSJLIGHXSMT-UONOGXRCSA-N 2 1 297.399 -0.290 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266930380 827089410 /nfs/dbraw/zinc/08/94/10/827089410.db2.gz SWVVIWHDZDRTDU-CHWSQXEVSA-N 2 1 283.372 -0.939 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266930380 827089419 /nfs/dbraw/zinc/08/94/19/827089419.db2.gz SWVVIWHDZDRTDU-CHWSQXEVSA-N 2 1 283.372 -0.939 20 30 CBEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001266978010 827101268 /nfs/dbraw/zinc/10/12/68/827101268.db2.gz GFDBVHUOYRXQHN-AWEZNQCLSA-N 2 1 297.399 -0.547 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001267798335 827222155 /nfs/dbraw/zinc/22/21/55/827222155.db2.gz FYQXOTDGRRJRHV-QWHCGFSZSA-N 2 1 294.399 -0.686 20 30 CBEDMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001267800064 827223076 /nfs/dbraw/zinc/22/30/76/827223076.db2.gz MLDLYFTZZAGCPH-VXGBXAGGSA-N 2 1 295.387 -0.795 20 30 CBEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268014863 827242887 /nfs/dbraw/zinc/24/28/87/827242887.db2.gz YTVFFEICKOGMNR-KGLIPLIRSA-N 2 1 281.400 -0.070 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001268328739 827303709 /nfs/dbraw/zinc/30/37/09/827303709.db2.gz ONBVYKFSNWSAOE-ZDUSSCGKSA-N 2 1 285.388 -0.649 20 30 CBEDMP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268424737 827326524 /nfs/dbraw/zinc/32/65/24/827326524.db2.gz XKSODTRCJMLUNQ-VXGBXAGGSA-N 2 1 295.387 -0.938 20 30 CBEDMP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268424729 827326739 /nfs/dbraw/zinc/32/67/39/827326739.db2.gz XKSODTRCJMLUNQ-NWDGAFQWSA-N 2 1 295.387 -0.938 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H](O)COC ZINC001268690908 827404006 /nfs/dbraw/zinc/40/40/06/827404006.db2.gz VEWMMMWERQUQMC-IHRRRGAJSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H](O)COC ZINC001268690908 827404003 /nfs/dbraw/zinc/40/40/03/827404003.db2.gz VEWMMMWERQUQMC-IHRRRGAJSA-N 2 1 297.399 -0.814 20 30 CBEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001269384915 827501342 /nfs/dbraw/zinc/50/13/42/827501342.db2.gz XSPMPMMDSHFHEH-RYUDHWBXSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001269384915 827501345 /nfs/dbraw/zinc/50/13/45/827501345.db2.gz XSPMPMMDSHFHEH-RYUDHWBXSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001270371507 827561587 /nfs/dbraw/zinc/56/15/87/827561587.db2.gz HXXVRDDDUSIFCB-STQMWFEESA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271208306 827676534 /nfs/dbraw/zinc/67/65/34/827676534.db2.gz IRLAFFHDFRZQDY-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271208306 827676540 /nfs/dbraw/zinc/67/65/40/827676540.db2.gz IRLAFFHDFRZQDY-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271208306 827676547 /nfs/dbraw/zinc/67/65/47/827676547.db2.gz IRLAFFHDFRZQDY-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001272196837 827769959 /nfs/dbraw/zinc/76/99/59/827769959.db2.gz PSKLDLGNXKCJDI-AWEZNQCLSA-N 2 1 281.400 -0.096 20 30 CBEDMP C=CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001272258000 827775363 /nfs/dbraw/zinc/77/53/63/827775363.db2.gz AJRISSHEAUSDGH-ZDUSSCGKSA-N 2 1 269.389 -0.075 20 30 CBEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001272585602 827825812 /nfs/dbraw/zinc/82/58/12/827825812.db2.gz WSAOTKZHQJJCPT-UONOGXRCSA-N 2 1 299.415 -0.260 20 30 CBEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001272585602 827825818 /nfs/dbraw/zinc/82/58/18/827825818.db2.gz WSAOTKZHQJJCPT-UONOGXRCSA-N 2 1 299.415 -0.260 20 30 CBEDMP C=C[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273880974 827936318 /nfs/dbraw/zinc/93/63/18/827936318.db2.gz ILCBWOQDUWPWME-LBPRGKRZSA-N 2 1 283.372 -0.992 20 30 CBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001273929450 827943239 /nfs/dbraw/zinc/94/32/39/827943239.db2.gz KMBZTXUJGTWPLO-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCO ZINC001274791152 828030262 /nfs/dbraw/zinc/03/02/62/828030262.db2.gz CZWYBMZDYWCATD-NEPJUHHUSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCO ZINC001274791152 828030266 /nfs/dbraw/zinc/03/02/66/828030266.db2.gz CZWYBMZDYWCATD-NEPJUHHUSA-N 2 1 253.346 -0.829 20 30 CBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1CCC[NH+]1C ZINC001275520588 828095642 /nfs/dbraw/zinc/09/56/42/828095642.db2.gz ILZNDZOSIDQDGR-NWDGAFQWSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1CCC[NH+]1C ZINC001275520588 828095646 /nfs/dbraw/zinc/09/56/46/828095646.db2.gz ILZNDZOSIDQDGR-NWDGAFQWSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275520588 828095654 /nfs/dbraw/zinc/09/56/54/828095654.db2.gz ILZNDZOSIDQDGR-NWDGAFQWSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275520588 828095662 /nfs/dbraw/zinc/09/56/62/828095662.db2.gz ILZNDZOSIDQDGR-NWDGAFQWSA-N 2 1 295.387 -0.843 20 30 CBEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001278874395 828303718 /nfs/dbraw/zinc/30/37/18/828303718.db2.gz YIOGHMSXQDIKSJ-ZDUSSCGKSA-N 2 1 269.389 -0.288 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370841 884777829 /nfs/dbraw/zinc/77/78/29/884777829.db2.gz NLFPJKDMWIOLCJ-VXGBXAGGSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370841 884777836 /nfs/dbraw/zinc/77/78/36/884777836.db2.gz NLFPJKDMWIOLCJ-VXGBXAGGSA-N 2 1 253.346 -0.613 20 30 CBEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331787389 886981936 /nfs/dbraw/zinc/98/19/36/886981936.db2.gz IFKRLMYABBNHSE-QWHCGFSZSA-N 2 1 269.389 -0.029 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001332548039 887349309 /nfs/dbraw/zinc/34/93/09/887349309.db2.gz WMACQQREQNOUKN-LBPRGKRZSA-N 2 1 264.329 -0.766 20 30 CBEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001338505022 889170906 /nfs/dbraw/zinc/17/09/06/889170906.db2.gz IKBWCQJZXJPOSB-DGCLKSJQSA-N 2 1 253.346 -0.303 20 30 CBEDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001338505022 889170909 /nfs/dbraw/zinc/17/09/09/889170909.db2.gz IKBWCQJZXJPOSB-DGCLKSJQSA-N 2 1 253.346 -0.303 20 30 CBEDMP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001329592468 886133816 /nfs/dbraw/zinc/13/38/16/886133816.db2.gz PSZQACPDWOZXHV-NWDGAFQWSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001329592468 886133828 /nfs/dbraw/zinc/13/38/28/886133828.db2.gz PSZQACPDWOZXHV-NWDGAFQWSA-N 2 1 297.403 -0.597 20 30 CBEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001330583274 886487320 /nfs/dbraw/zinc/48/73/20/886487320.db2.gz JVBMWSWGBMDVEG-JHJVBQTASA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001330583274 886487329 /nfs/dbraw/zinc/48/73/29/886487329.db2.gz JVBMWSWGBMDVEG-JHJVBQTASA-N 2 1 265.357 -0.565 20 30 CBEDMP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001340041935 889369978 /nfs/dbraw/zinc/36/99/78/889369978.db2.gz PQGOHSQHUJDRSB-ZDUSSCGKSA-N 2 1 296.415 -0.003 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001341762770 889659969 /nfs/dbraw/zinc/65/99/69/889659969.db2.gz BIEQQTKXLCZGDE-ZDUSSCGKSA-N 2 1 258.325 -0.223 20 30 CBEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001346250237 890250264 /nfs/dbraw/zinc/25/02/64/890250264.db2.gz CISOYZHKVKNRQE-HOTGVXAUSA-N 2 1 296.411 -0.034 20 30 CBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379281746 898537516 /nfs/dbraw/zinc/53/75/16/898537516.db2.gz FGNVYBXOETUJMP-QWRGUYRKSA-N 2 1 275.780 -0.243 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001410830160 904192948 /nfs/dbraw/zinc/19/29/48/904192948.db2.gz ZABPJGCIJIKLOX-SNVBAGLBSA-N 2 1 272.736 -0.298 20 30 CBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422269170 907770744 /nfs/dbraw/zinc/77/07/44/907770744.db2.gz VTGBYOGHRHCKFB-QWRGUYRKSA-N 2 1 275.780 -0.100 20 30 CBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001502600403 921370197 /nfs/dbraw/zinc/37/01/97/921370197.db2.gz UVWGTZYFCAWPEY-DZGCQCFKSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001502773537 921391196 /nfs/dbraw/zinc/39/11/96/921391196.db2.gz CPNZPMJIFVBGAG-ZDUSSCGKSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001502773537 921391203 /nfs/dbraw/zinc/39/12/03/921391203.db2.gz CPNZPMJIFVBGAG-ZDUSSCGKSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425791224 908741956 /nfs/dbraw/zinc/74/19/56/908741956.db2.gz JHMIRJRLKWATTA-GHMZBOCLSA-N 2 1 275.780 -0.100 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425791224 908741962 /nfs/dbraw/zinc/74/19/62/908741962.db2.gz JHMIRJRLKWATTA-GHMZBOCLSA-N 2 1 275.780 -0.100 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CCO ZINC001506927143 921642117 /nfs/dbraw/zinc/64/21/17/921642117.db2.gz RBZHOUABBPSXQZ-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CCO ZINC001506927143 921642126 /nfs/dbraw/zinc/64/21/26/921642126.db2.gz RBZHOUABBPSXQZ-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001506917171 921642218 /nfs/dbraw/zinc/64/22/18/921642218.db2.gz KTMOGGKKVQXQKQ-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001506917171 921642227 /nfs/dbraw/zinc/64/22/27/921642227.db2.gz KTMOGGKKVQXQKQ-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507059187 921664748 /nfs/dbraw/zinc/66/47/48/921664748.db2.gz CQDGBOHTOTUZCU-KBPBESRZSA-N 2 1 299.415 -0.044 20 30 CBEDMP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507059187 921664757 /nfs/dbraw/zinc/66/47/57/921664757.db2.gz CQDGBOHTOTUZCU-KBPBESRZSA-N 2 1 299.415 -0.044 20 30 CBEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001507182160 921718548 /nfs/dbraw/zinc/71/85/48/921718548.db2.gz HJBFXWKNHLLHET-NWDGAFQWSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507233716 921768608 /nfs/dbraw/zinc/76/86/08/921768608.db2.gz TYUFVYZXJOKLSU-NEPJUHHUSA-N 2 1 253.346 -0.972 20 30 CBEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001507261661 921790347 /nfs/dbraw/zinc/79/03/47/921790347.db2.gz SYQLBCPIGRHXTM-LBPRGKRZSA-N 2 1 266.345 -0.166 20 30 CBEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001507261660 921793327 /nfs/dbraw/zinc/79/33/27/921793327.db2.gz SYQLBCPIGRHXTM-GFCCVEGCSA-N 2 1 266.345 -0.166 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480571577 916477424 /nfs/dbraw/zinc/47/74/24/916477424.db2.gz IVJCFLAYMAVXBQ-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480571575 916479383 /nfs/dbraw/zinc/47/93/83/916479383.db2.gz IVJCFLAYMAVXBQ-CHWSQXEVSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001481434631 916837786 /nfs/dbraw/zinc/83/77/86/916837786.db2.gz CTVUTYNXPANLNS-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001481434631 916837796 /nfs/dbraw/zinc/83/77/96/916837796.db2.gz CTVUTYNXPANLNS-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCO)C1 ZINC001481434631 916837806 /nfs/dbraw/zinc/83/78/06/916837806.db2.gz CTVUTYNXPANLNS-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCO)C1 ZINC001481434631 916837819 /nfs/dbraw/zinc/83/78/19/916837819.db2.gz CTVUTYNXPANLNS-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001481877000 917013413 /nfs/dbraw/zinc/01/34/13/917013413.db2.gz YQNSOMTYVCCGDJ-VXGBXAGGSA-N 2 1 295.387 -0.938 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482714481 917223763 /nfs/dbraw/zinc/22/37/63/917223763.db2.gz BTHKPDJFUMOFEF-RYUDHWBXSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001483019247 917378718 /nfs/dbraw/zinc/37/87/18/917378718.db2.gz HPTKNTCMIDOULF-GXMNPTEKSA-N 2 1 259.353 -0.021 20 30 CBEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001483019247 917378725 /nfs/dbraw/zinc/37/87/25/917378725.db2.gz HPTKNTCMIDOULF-GXMNPTEKSA-N 2 1 259.353 -0.021 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484246255 917784779 /nfs/dbraw/zinc/78/47/79/917784779.db2.gz HOJVZVSFLRYOQC-UKRRQHHQSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484252609 917792783 /nfs/dbraw/zinc/79/27/83/917792783.db2.gz VUVQNRFORDYPME-AWEZNQCLSA-N 2 1 265.357 -0.732 20 30 CBEDMP C#CCC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001484493869 917876512 /nfs/dbraw/zinc/87/65/12/917876512.db2.gz MCNJVUZWDGCKPR-AWEZNQCLSA-N 2 1 281.400 -0.238 20 30 CBEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485860468 918211870 /nfs/dbraw/zinc/21/18/70/918211870.db2.gz AYHHTKSDKPSPFC-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485860468 918211885 /nfs/dbraw/zinc/21/18/85/918211885.db2.gz AYHHTKSDKPSPFC-NWDGAFQWSA-N 2 1 255.362 -0.061 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001486024473 918314275 /nfs/dbraw/zinc/31/42/75/918314275.db2.gz OLYRUTDHABBTOR-NWDGAFQWSA-N 2 1 253.346 -0.829 20 30 CBEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490649452 918950427 /nfs/dbraw/zinc/95/04/27/918950427.db2.gz SWXUBHZPCHMDCC-CHWSQXEVSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490649452 918950436 /nfs/dbraw/zinc/95/04/36/918950436.db2.gz SWXUBHZPCHMDCC-CHWSQXEVSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490649454 918953422 /nfs/dbraw/zinc/95/34/22/918953422.db2.gz SWXUBHZPCHMDCC-QWHCGFSZSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490649454 918953434 /nfs/dbraw/zinc/95/34/34/918953434.db2.gz SWXUBHZPCHMDCC-QWHCGFSZSA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001490897353 918986536 /nfs/dbraw/zinc/98/65/36/918986536.db2.gz HNGVQGMVYAEUBV-AVGNSLFASA-N 2 1 292.383 -0.933 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001490897353 918986550 /nfs/dbraw/zinc/98/65/50/918986550.db2.gz HNGVQGMVYAEUBV-AVGNSLFASA-N 2 1 292.383 -0.933 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001491005436 919005697 /nfs/dbraw/zinc/00/56/97/919005697.db2.gz ZDVHILYNMZGZAV-XQQFMLRXSA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001491005436 919005713 /nfs/dbraw/zinc/00/57/13/919005713.db2.gz ZDVHILYNMZGZAV-XQQFMLRXSA-N 2 1 265.357 -0.423 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001491992140 919306000 /nfs/dbraw/zinc/30/60/00/919306000.db2.gz KSRPRJTWYNQMHI-QWHCGFSZSA-N 2 1 296.415 -0.133 20 30 CBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494775003 919792280 /nfs/dbraw/zinc/79/22/80/919792280.db2.gz LPGPYISKNCBMEI-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494775003 919792293 /nfs/dbraw/zinc/79/22/93/919792293.db2.gz LPGPYISKNCBMEI-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC#CCOC ZINC001494960988 919827096 /nfs/dbraw/zinc/82/70/96/919827096.db2.gz YYGMSDJLYFMLHX-KBPBESRZSA-N 2 1 297.399 -0.549 20 30 CBEDMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC#CCOC ZINC001494960988 919827113 /nfs/dbraw/zinc/82/71/13/919827113.db2.gz YYGMSDJLYFMLHX-KBPBESRZSA-N 2 1 297.399 -0.549 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001495906958 919985229 /nfs/dbraw/zinc/98/52/29/919985229.db2.gz MQFWIYPZHBTGPZ-ZDUSSCGKSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001495906958 919985242 /nfs/dbraw/zinc/98/52/42/919985242.db2.gz MQFWIYPZHBTGPZ-ZDUSSCGKSA-N 2 1 279.384 -0.031 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497115076 920254731 /nfs/dbraw/zinc/25/47/31/920254731.db2.gz SWNCHEAIYPYPOK-NWDGAFQWSA-N 2 1 255.362 -0.419 20 30 CBEDMP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651148 920363226 /nfs/dbraw/zinc/36/32/26/920363226.db2.gz UTDGZXIIAIEMKM-DSYXLKISSA-N 2 1 294.399 -0.355 20 30 CBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001497909703 920421931 /nfs/dbraw/zinc/42/19/31/920421931.db2.gz BIUXZZADRMDIIY-NWDGAFQWSA-N 2 1 295.387 -0.938 20 30 CBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001498059699 920463739 /nfs/dbraw/zinc/46/37/39/920463739.db2.gz HSVSOCQRKKPIOD-NWDGAFQWSA-N 2 1 295.387 -0.795 20 30 CBEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500724874 920872250 /nfs/dbraw/zinc/87/22/50/920872250.db2.gz JAQUWHGUTQFNPW-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500724874 920872263 /nfs/dbraw/zinc/87/22/63/920872263.db2.gz JAQUWHGUTQFNPW-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500724874 920872278 /nfs/dbraw/zinc/87/22/78/920872278.db2.gz JAQUWHGUTQFNPW-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500724873 920875338 /nfs/dbraw/zinc/87/53/38/920875338.db2.gz JAQUWHGUTQFNPW-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500724873 920875351 /nfs/dbraw/zinc/87/53/51/920875351.db2.gz JAQUWHGUTQFNPW-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500724873 920875366 /nfs/dbraw/zinc/87/53/66/920875366.db2.gz JAQUWHGUTQFNPW-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC ZINC001507484959 921845699 /nfs/dbraw/zinc/84/56/99/921845699.db2.gz NWENSJWKPPXFPW-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC ZINC001507484959 921845717 /nfs/dbraw/zinc/84/57/17/921845717.db2.gz NWENSJWKPPXFPW-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001507728816 921899544 /nfs/dbraw/zinc/89/95/44/921899544.db2.gz NTALEVNTYXQFGT-CQSZACIVSA-N 2 1 292.383 -0.034 20 30 CBEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001507728816 921899558 /nfs/dbraw/zinc/89/95/58/921899558.db2.gz NTALEVNTYXQFGT-CQSZACIVSA-N 2 1 292.383 -0.034 20 30 CBEDMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001520969002 922328783 /nfs/dbraw/zinc/32/87/83/922328783.db2.gz HRFNITHRRUOZPJ-OLZOCXBDSA-N 2 1 291.399 -0.521 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001528977158 922864846 /nfs/dbraw/zinc/86/48/46/922864846.db2.gz LSTFCULGVZTMDO-UHFFFAOYSA-N 2 1 280.416 -0.048 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001545547457 923316289 /nfs/dbraw/zinc/31/62/89/923316289.db2.gz LDCGSFXIZNSYIU-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001545547457 923316297 /nfs/dbraw/zinc/31/62/97/923316297.db2.gz LDCGSFXIZNSYIU-NEPJUHHUSA-N 2 1 255.362 -0.061 20 30 CBEDMP N#CCNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000066498277 351601026 /nfs/dbraw/zinc/60/10/26/351601026.db2.gz ZHAVAZZNWHESFU-UHFFFAOYSA-N 2 1 280.372 -0.330 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312779895 352775923 /nfs/dbraw/zinc/77/59/23/352775923.db2.gz HOSCLBNVWPNLLO-TXEJJXNPSA-N 2 1 280.372 -0.070 20 30 CBEDMP C[C@@]1(O)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000341872379 353217398 /nfs/dbraw/zinc/21/73/98/353217398.db2.gz PJJKRNHYPTWWIT-OKILXGFUSA-N 2 1 252.358 -0.097 20 30 CBEDMP C[C@@]1(O)CC[NH+](CC#CC[N@H+]2CC[C@](C)(O)C2)C1 ZINC000341872379 353217399 /nfs/dbraw/zinc/21/73/99/353217399.db2.gz PJJKRNHYPTWWIT-OKILXGFUSA-N 2 1 252.358 -0.097 20 30 CBEDMP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000341905106 353218357 /nfs/dbraw/zinc/21/83/57/353218357.db2.gz BTVGUDZGHLNGKF-LVEBTZEWSA-N 2 1 252.358 -0.385 20 30 CBEDMP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000341905106 353218361 /nfs/dbraw/zinc/21/83/61/353218361.db2.gz BTVGUDZGHLNGKF-LVEBTZEWSA-N 2 1 252.358 -0.385 20 30 CBEDMP OC[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1CO ZINC000351266424 353475231 /nfs/dbraw/zinc/47/52/31/353475231.db2.gz DJVINPBQWZOVRB-ZIAGYGMSSA-N 2 1 252.358 -0.097 20 30 CBEDMP C=CCNC(=O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830452 353668133 /nfs/dbraw/zinc/66/81/33/353668133.db2.gz KRWPWOJHVZOBSR-GFCCVEGCSA-N 2 1 280.372 -0.815 20 30 CBEDMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160302 354212476 /nfs/dbraw/zinc/21/24/76/354212476.db2.gz UDSMIECFFNFUEN-NSHDSACASA-N 2 1 256.350 -0.298 20 30 CBEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436058759 354255930 /nfs/dbraw/zinc/25/59/30/354255930.db2.gz ZHFCUPXCGMMQBA-GFCCVEGCSA-N 2 1 282.388 -0.392 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436058759 354255931 /nfs/dbraw/zinc/25/59/31/354255931.db2.gz ZHFCUPXCGMMQBA-GFCCVEGCSA-N 2 1 282.388 -0.392 20 30 CBEDMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000567875696 354802652 /nfs/dbraw/zinc/80/26/52/354802652.db2.gz JHLVNOAXQXPIOZ-OLZOCXBDSA-N 2 1 279.340 -0.532 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472278 355155252 /nfs/dbraw/zinc/15/52/52/355155252.db2.gz SJIOYXUCFJURNH-LBPRGKRZSA-N 2 1 297.403 -0.776 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472278 355155258 /nfs/dbraw/zinc/15/52/58/355155258.db2.gz SJIOYXUCFJURNH-LBPRGKRZSA-N 2 1 297.403 -0.776 20 30 CBEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000595974923 355332966 /nfs/dbraw/zinc/33/29/66/355332966.db2.gz BTXGDTAZRBDLJU-KGLIPLIRSA-N 2 1 293.415 -0.096 20 30 CBEDMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600742838 355564191 /nfs/dbraw/zinc/56/41/91/355564191.db2.gz KOBOFHKQTJHYGC-STQMWFEESA-N 2 1 279.340 -0.532 20 30 CBEDMP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1CC#N ZINC000602856798 355676321 /nfs/dbraw/zinc/67/63/21/355676321.db2.gz NPPMRAIZSOJLTQ-OKILXGFUSA-N 2 1 293.415 -0.321 20 30 CBEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236031 373779121 /nfs/dbraw/zinc/77/91/21/373779121.db2.gz RNKQGXFQCRDYLC-QWHCGFSZSA-N 2 1 294.399 -0.440 20 30 CBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)C[C@@H]1CCOC1 ZINC000261598414 220243757 /nfs/dbraw/zinc/24/37/57/220243757.db2.gz AMXUUXZNRATHKD-UONOGXRCSA-N 2 1 297.447 -0.224 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COCCO1 ZINC000262011830 220247771 /nfs/dbraw/zinc/24/77/71/220247771.db2.gz UJMLPTQVGAPWKU-NEPJUHHUSA-N 2 1 270.377 -0.210 20 30 CBEDMP C[NH+]=C(NCc1nncn1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262014477 220248158 /nfs/dbraw/zinc/24/81/58/220248158.db2.gz XKYNXKUAUAFUQR-CMPLNLGQSA-N 2 1 291.403 -0.037 20 30 CBEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCCC1 ZINC000262345135 220249059 /nfs/dbraw/zinc/24/90/59/220249059.db2.gz ZNWWBIYHEVOVOG-LBPRGKRZSA-N 2 1 253.394 -0.097 20 30 CBEDMP C[C@H]1CN(C(=[NH2+])NC[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC000262469268 220251564 /nfs/dbraw/zinc/25/15/64/220251564.db2.gz OKXBTKXYCZLVEW-CMPLNLGQSA-N 2 1 256.350 -0.912 20 30 CBEDMP C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@H]1CCC[N@H+]1C ZINC000262452008 220251813 /nfs/dbraw/zinc/25/18/13/220251813.db2.gz UUDACHLRDLCBPW-OLZOCXBDSA-N 2 1 294.403 -0.287 20 30 CBEDMP O[C@]12C[C@H]1CN(CC#CC[N@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723818 419522878 /nfs/dbraw/zinc/52/28/78/419522878.db2.gz VKGQOUHBVCIIEJ-CAOSSQGBSA-N 2 1 276.380 -0.097 20 30 CBEDMP O[C@]12C[C@H]1C[NH+](CC#CC[N@@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723818 419522884 /nfs/dbraw/zinc/52/28/84/419522884.db2.gz VKGQOUHBVCIIEJ-CAOSSQGBSA-N 2 1 276.380 -0.097 20 30 CBEDMP O[C@]12C[C@H]1C[NH+](CC#CC[N@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723818 419522892 /nfs/dbraw/zinc/52/28/92/419522892.db2.gz VKGQOUHBVCIIEJ-CAOSSQGBSA-N 2 1 276.380 -0.097 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000394255240 260244746 /nfs/dbraw/zinc/24/47/46/260244746.db2.gz FKUSWINRMRJTIJ-AWEZNQCLSA-N 2 1 269.389 -0.776 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000394255240 260244747 /nfs/dbraw/zinc/24/47/47/260244747.db2.gz FKUSWINRMRJTIJ-AWEZNQCLSA-N 2 1 269.389 -0.776 20 30 CBEDMP C[C@@H]1C[C@H](O)C[NH+]1CC#CC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000341905779 279000945 /nfs/dbraw/zinc/00/09/45/279000945.db2.gz CRIRAWSLIYXEPA-MQYQWHSLSA-N 2 1 252.358 -0.100 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262758926 279329888 /nfs/dbraw/zinc/32/98/88/279329888.db2.gz FFZOBYVJSJSYBX-KBPBESRZSA-N 3 1 294.447 -0.625 20 30 CBEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN2CCN1CC2 ZINC000262758926 279329889 /nfs/dbraw/zinc/32/98/89/279329889.db2.gz FFZOBYVJSJSYBX-KBPBESRZSA-N 2 1 294.447 -0.625 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN2CCN1CC2 ZINC000262758926 279329890 /nfs/dbraw/zinc/32/98/90/279329890.db2.gz FFZOBYVJSJSYBX-KBPBESRZSA-N 2 1 294.447 -0.625 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000490638137 332098899 /nfs/dbraw/zinc/09/88/99/332098899.db2.gz VLLFYLCAXCKAMG-HNNXBMFYSA-N 2 1 292.427 -0.306 20 30 CBEDMP C#CC[N@H+](C)CCCNC(NCCN1CCOCC1)=[NH+]C ZINC000491393553 332203271 /nfs/dbraw/zinc/20/32/71/332203271.db2.gz IHVUADRBFWWVCN-UHFFFAOYSA-N 2 1 295.431 -0.561 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000491654122 332266440 /nfs/dbraw/zinc/26/64/40/332266440.db2.gz PBUJRMJYODGIRY-GFCCVEGCSA-N 2 1 252.362 -0.022 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491737517 332317006 /nfs/dbraw/zinc/31/70/06/332317006.db2.gz DZGDLXGJOLVDKB-LBPRGKRZSA-N 2 1 252.362 -0.007 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000491753010 332328578 /nfs/dbraw/zinc/32/85/78/332328578.db2.gz NLWXNQIMFUGNEX-CYBMUJFWSA-N 2 1 281.404 -0.856 20 30 CBEDMP COCC[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000567681685 334751459 /nfs/dbraw/zinc/75/14/59/334751459.db2.gz YQYBVQNYPZOBBM-HNNXBMFYSA-N 2 1 298.431 -0.107 20 30 CBEDMP C#CCC[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000743490870 582276955 /nfs/dbraw/zinc/27/69/55/582276955.db2.gz WZTYNJBKRIMOHI-UHFFFAOYSA-N 2 1 292.427 -0.162 20 30 CBEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000763988839 582321826 /nfs/dbraw/zinc/32/18/26/582321826.db2.gz ARFJIDBOQSQQOR-OAHLLOKOSA-N 2 1 290.411 -0.456 20 30 CBEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000763988839 582321827 /nfs/dbraw/zinc/32/18/27/582321827.db2.gz ARFJIDBOQSQQOR-OAHLLOKOSA-N 2 1 290.411 -0.456 20 30 CBEDMP C#C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000801544172 582424661 /nfs/dbraw/zinc/42/46/61/582424661.db2.gz BTODXYAZYAIMGL-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000817288801 582490253 /nfs/dbraw/zinc/49/02/53/582490253.db2.gz NEZAOOOGTDRWFW-KGLIPLIRSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CCN1CCN(C(=O)CN2C[C@@H](O)CC[C@H]2C)CC1 ZINC000817288801 582490254 /nfs/dbraw/zinc/49/02/54/582490254.db2.gz NEZAOOOGTDRWFW-KGLIPLIRSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986327 582524397 /nfs/dbraw/zinc/52/43/97/582524397.db2.gz KYFPQXKBYIAESH-OLZOCXBDSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986327 582524399 /nfs/dbraw/zinc/52/43/99/582524399.db2.gz KYFPQXKBYIAESH-OLZOCXBDSA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000827115095 582800932 /nfs/dbraw/zinc/80/09/32/582800932.db2.gz UUCRMLWQZZDRJL-CQSZACIVSA-N 2 1 294.399 -0.598 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000827115095 582800934 /nfs/dbraw/zinc/80/09/34/582800934.db2.gz UUCRMLWQZZDRJL-CQSZACIVSA-N 2 1 294.399 -0.598 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000827115095 582800937 /nfs/dbraw/zinc/80/09/37/582800937.db2.gz UUCRMLWQZZDRJL-CQSZACIVSA-N 2 1 294.399 -0.598 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000827115095 582800940 /nfs/dbraw/zinc/80/09/40/582800940.db2.gz UUCRMLWQZZDRJL-CQSZACIVSA-N 2 1 294.399 -0.598 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](C[C@H](C)O)C2CC2)CC1 ZINC000847103152 583398308 /nfs/dbraw/zinc/39/83/08/583398308.db2.gz ZRCUPOALQVOVPW-ZDUSSCGKSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CCN1CCN(C(=O)CN(C[C@H](C)O)C2CC2)CC1 ZINC000847103152 583398310 /nfs/dbraw/zinc/39/83/10/583398310.db2.gz ZRCUPOALQVOVPW-ZDUSSCGKSA-N 2 1 279.384 -0.391 20 30 CBEDMP COCC[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852867330 583564514 /nfs/dbraw/zinc/56/45/14/583564514.db2.gz ULERBPCQHPKNAI-CQSZACIVSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCOCC[NH3+] ZINC000861634881 583773665 /nfs/dbraw/zinc/77/36/65/583773665.db2.gz UTNZXCPLELPXDB-UHFFFAOYSA-N 2 1 270.377 -0.442 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000861634910 583773668 /nfs/dbraw/zinc/77/36/68/583773668.db2.gz VIQMIWDTLHQCAT-UHFFFAOYSA-N 2 1 282.388 -0.251 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713072 583780556 /nfs/dbraw/zinc/78/05/56/583780556.db2.gz YUUXWPUNSUIDNT-KKUMJFAQSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861713072 583780557 /nfs/dbraw/zinc/78/05/57/583780557.db2.gz YUUXWPUNSUIDNT-KKUMJFAQSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861713072 583780558 /nfs/dbraw/zinc/78/05/58/583780558.db2.gz YUUXWPUNSUIDNT-KKUMJFAQSA-N 2 1 291.395 -0.249 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861713072 583780559 /nfs/dbraw/zinc/78/05/59/583780559.db2.gz YUUXWPUNSUIDNT-KKUMJFAQSA-N 2 1 291.395 -0.249 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861713588 583780713 /nfs/dbraw/zinc/78/07/13/583780713.db2.gz DFFKNJWVGFHNBX-STQMWFEESA-N 2 1 267.373 -0.228 20 30 CBEDMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801805 584146078 /nfs/dbraw/zinc/14/60/78/584146078.db2.gz IZBMFUDIEYEKKT-OLZOCXBDSA-N 2 1 298.387 -0.801 20 30 CBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000876972507 584159161 /nfs/dbraw/zinc/15/91/61/584159161.db2.gz LDCJKHWCENPEBP-RYUDHWBXSA-N 2 1 286.807 -0.038 20 30 CBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000876972506 584159256 /nfs/dbraw/zinc/15/92/56/584159256.db2.gz LDCJKHWCENPEBP-NWDGAFQWSA-N 2 1 286.807 -0.038 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000888858091 584507630 /nfs/dbraw/zinc/50/76/30/584507630.db2.gz LVKWMGKOUJJPFJ-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000888858091 584507632 /nfs/dbraw/zinc/50/76/32/584507632.db2.gz LVKWMGKOUJJPFJ-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000890361541 584547955 /nfs/dbraw/zinc/54/79/55/584547955.db2.gz UFMONOKNFGZRBR-KGLIPLIRSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000890361541 584547957 /nfs/dbraw/zinc/54/79/57/584547957.db2.gz UFMONOKNFGZRBR-KGLIPLIRSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000890361541 584547958 /nfs/dbraw/zinc/54/79/58/584547958.db2.gz UFMONOKNFGZRBR-KGLIPLIRSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000890361541 584547959 /nfs/dbraw/zinc/54/79/59/584547959.db2.gz UFMONOKNFGZRBR-KGLIPLIRSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000890368477 584548875 /nfs/dbraw/zinc/54/88/75/584548875.db2.gz IYJIESVPLYYWJD-ZFWWWQNUSA-N 2 1 296.415 -0.304 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000890368477 584548877 /nfs/dbraw/zinc/54/88/77/584548877.db2.gz IYJIESVPLYYWJD-ZFWWWQNUSA-N 2 1 296.415 -0.304 20 30 CBEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000963653279 612954647 /nfs/dbraw/zinc/95/46/47/612954647.db2.gz KRGJXJVXWHJBSX-JNJRBNHSSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000963653279 612954648 /nfs/dbraw/zinc/95/46/48/612954648.db2.gz KRGJXJVXWHJBSX-JNJRBNHSSA-N 2 1 291.395 -0.033 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000968909740 612962229 /nfs/dbraw/zinc/96/22/29/612962229.db2.gz PZBGEQJDWGOFPL-ZIAGYGMSSA-N 2 1 289.383 -0.363 20 30 CBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595728 613035951 /nfs/dbraw/zinc/03/59/51/613035951.db2.gz UVKYGSHJSWRCNO-KBPBESRZSA-N 2 1 291.395 -0.486 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977955831 613309467 /nfs/dbraw/zinc/30/94/67/613309467.db2.gz NSUNTXNDYJGYET-YIYPIFLZSA-N 2 1 277.368 -0.756 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977955831 613309469 /nfs/dbraw/zinc/30/94/69/613309469.db2.gz NSUNTXNDYJGYET-YIYPIFLZSA-N 2 1 277.368 -0.756 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955831 613309470 /nfs/dbraw/zinc/30/94/70/613309470.db2.gz NSUNTXNDYJGYET-YIYPIFLZSA-N 2 1 277.368 -0.756 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977955831 613309472 /nfs/dbraw/zinc/30/94/72/613309472.db2.gz NSUNTXNDYJGYET-YIYPIFLZSA-N 2 1 277.368 -0.756 20 30 CBEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968304595 613864685 /nfs/dbraw/zinc/86/46/85/613864685.db2.gz YBULSKLGNVWEGM-NEPJUHHUSA-N 2 1 253.346 -0.307 20 30 CBEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968304595 613864686 /nfs/dbraw/zinc/86/46/86/613864686.db2.gz YBULSKLGNVWEGM-NEPJUHHUSA-N 2 1 253.346 -0.307 20 30 CBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000170912763 656083052 /nfs/dbraw/zinc/08/30/52/656083052.db2.gz BZSPZHTZNXOWHM-UHFFFAOYSA-N 2 1 281.404 -0.145 20 30 CBEDMP CN(C(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000181463209 656092079 /nfs/dbraw/zinc/09/20/79/656092079.db2.gz RWWBBHXTPZKKBD-UHFFFAOYSA-N 2 1 267.377 -0.441 20 30 CBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOCC(F)F ZINC000189575414 656098186 /nfs/dbraw/zinc/09/81/86/656098186.db2.gz NJLGDMVSXRXAGZ-UHFFFAOYSA-N 2 1 294.346 -0.105 20 30 CBEDMP CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303387467 656139002 /nfs/dbraw/zinc/13/90/02/656139002.db2.gz WSVDMMPKWNLMMY-SNVBAGLBSA-N 2 1 255.366 -0.537 20 30 CBEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303880954 656139326 /nfs/dbraw/zinc/13/93/26/656139326.db2.gz KKSIKSBGFZPLCN-QWHCGFSZSA-N 2 1 285.436 -0.191 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000303982037 656140080 /nfs/dbraw/zinc/14/00/80/656140080.db2.gz PUQGDWNYYCSEME-CYBMUJFWSA-N 2 1 297.447 -0.034 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998586748 656550880 /nfs/dbraw/zinc/55/08/80/656550880.db2.gz PTTCJCIJCCIRSW-BPCQOVAHSA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998586748 656550887 /nfs/dbraw/zinc/55/08/87/656550887.db2.gz PTTCJCIJCCIRSW-BPCQOVAHSA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908436319 656725912 /nfs/dbraw/zinc/72/59/12/656725912.db2.gz PCZOWFCQPLWJNX-JSGCOSHPSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC001009627785 657083362 /nfs/dbraw/zinc/08/33/62/657083362.db2.gz MRZQYHOHWCVDGG-OAHLLOKOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC001009627784 657084008 /nfs/dbraw/zinc/08/40/08/657084008.db2.gz MRZQYHOHWCVDGG-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912735038 657318562 /nfs/dbraw/zinc/31/85/62/657318562.db2.gz UOWTVLVCFFGXNY-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912735038 657318568 /nfs/dbraw/zinc/31/85/68/657318568.db2.gz UOWTVLVCFFGXNY-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015332389 657433253 /nfs/dbraw/zinc/43/32/53/657433253.db2.gz BCJOVVFWZGCLGU-IOSBVQAASA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015332389 657433260 /nfs/dbraw/zinc/43/32/60/657433260.db2.gz BCJOVVFWZGCLGU-IOSBVQAASA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015332389 657433266 /nfs/dbraw/zinc/43/32/66/657433266.db2.gz BCJOVVFWZGCLGU-IOSBVQAASA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015332389 657433273 /nfs/dbraw/zinc/43/32/73/657433273.db2.gz BCJOVVFWZGCLGU-IOSBVQAASA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001016333308 657689001 /nfs/dbraw/zinc/68/90/01/657689001.db2.gz WBYUAJQQRYDHES-CQSZACIVSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001016337648 657694296 /nfs/dbraw/zinc/69/42/96/657694296.db2.gz SOQGKEFHSOVPAW-HIFRSBDPSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178854 658021445 /nfs/dbraw/zinc/02/14/45/658021445.db2.gz GTZASFHZCATQBJ-XDQVBPFNSA-N 2 1 277.368 -0.280 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178853 658021741 /nfs/dbraw/zinc/02/17/41/658021741.db2.gz GTZASFHZCATQBJ-SYQHCUMBSA-N 2 1 277.368 -0.280 20 30 CBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000930007397 659195315 /nfs/dbraw/zinc/19/53/15/659195315.db2.gz PEKXFEJEVDCWQU-ZDUSSCGKSA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000930007397 659195317 /nfs/dbraw/zinc/19/53/17/659195317.db2.gz PEKXFEJEVDCWQU-ZDUSSCGKSA-N 2 1 294.399 -0.427 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCO ZINC000912598079 790914394 /nfs/dbraw/zinc/91/43/94/790914394.db2.gz AHEHMSQYDMRWCH-ZDUSSCGKSA-N 2 1 267.373 -0.534 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912598079 790914403 /nfs/dbraw/zinc/91/44/03/790914403.db2.gz AHEHMSQYDMRWCH-ZDUSSCGKSA-N 2 1 267.373 -0.534 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCO ZINC000912598079 790914413 /nfs/dbraw/zinc/91/44/13/790914413.db2.gz AHEHMSQYDMRWCH-ZDUSSCGKSA-N 2 1 267.373 -0.534 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCO ZINC000912598079 790914422 /nfs/dbraw/zinc/91/44/22/790914422.db2.gz AHEHMSQYDMRWCH-ZDUSSCGKSA-N 2 1 267.373 -0.534 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003070 805670884 /nfs/dbraw/zinc/67/08/84/805670884.db2.gz RFRJRQYSOPAUHG-RRFJBIMHSA-N 2 1 291.395 -0.487 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007466 805671392 /nfs/dbraw/zinc/67/13/92/805671392.db2.gz NXOWNGIVDFGZHS-BFHYXJOUSA-N 2 1 279.384 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007466 805671397 /nfs/dbraw/zinc/67/13/97/805671397.db2.gz NXOWNGIVDFGZHS-BFHYXJOUSA-N 2 1 279.384 -0.325 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078005573 805820589 /nfs/dbraw/zinc/82/05/89/805820589.db2.gz FRQPJSYYPNDIIH-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005573 805820597 /nfs/dbraw/zinc/82/05/97/805820597.db2.gz FRQPJSYYPNDIIH-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005573 805820601 /nfs/dbraw/zinc/82/06/01/805820601.db2.gz FRQPJSYYPNDIIH-MGPQQGTHSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368535 806169164 /nfs/dbraw/zinc/16/91/64/806169164.db2.gz GJRSJLLWRJNTRW-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368535 806169169 /nfs/dbraw/zinc/16/91/69/806169169.db2.gz GJRSJLLWRJNTRW-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368535 806169172 /nfs/dbraw/zinc/16/91/72/806169172.db2.gz GJRSJLLWRJNTRW-BFHYXJOUSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369958 806169456 /nfs/dbraw/zinc/16/94/56/806169456.db2.gz LPAWPDLPJWHBRT-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369958 806169462 /nfs/dbraw/zinc/16/94/62/806169462.db2.gz LPAWPDLPJWHBRT-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369958 806169465 /nfs/dbraw/zinc/16/94/65/806169465.db2.gz LPAWPDLPJWHBRT-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369958 806169470 /nfs/dbraw/zinc/16/94/70/806169470.db2.gz LPAWPDLPJWHBRT-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465695 806335901 /nfs/dbraw/zinc/33/59/01/806335901.db2.gz NXOWNGIVDFGZHS-MJBXVCDLSA-N 2 1 279.384 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465695 806335911 /nfs/dbraw/zinc/33/59/11/806335911.db2.gz NXOWNGIVDFGZHS-MJBXVCDLSA-N 2 1 279.384 -0.325 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645076 806390908 /nfs/dbraw/zinc/39/09/08/806390908.db2.gz JZJCELWWNOZONU-OLZOCXBDSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645076 806390918 /nfs/dbraw/zinc/39/09/18/806390918.db2.gz JZJCELWWNOZONU-OLZOCXBDSA-N 2 1 278.356 -0.071 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749713 806423617 /nfs/dbraw/zinc/42/36/17/806423617.db2.gz NMOHDKLXJHWLSU-KGLIPLIRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781916 806430525 /nfs/dbraw/zinc/43/05/25/806430525.db2.gz ZZTQINJZKULLTB-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781916 806430532 /nfs/dbraw/zinc/43/05/32/806430532.db2.gz ZZTQINJZKULLTB-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781916 806430542 /nfs/dbraw/zinc/43/05/42/806430542.db2.gz ZZTQINJZKULLTB-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833261 806441764 /nfs/dbraw/zinc/44/17/64/806441764.db2.gz RFOWWCOASOFQIG-KGLIPLIRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833261 806441771 /nfs/dbraw/zinc/44/17/71/806441771.db2.gz RFOWWCOASOFQIG-KGLIPLIRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833599 806442404 /nfs/dbraw/zinc/44/24/04/806442404.db2.gz KWWKDGHAXYVHLE-CABCVRRESA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953970 806466949 /nfs/dbraw/zinc/46/69/49/806466949.db2.gz FRQPJSYYPNDIIH-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953970 806466953 /nfs/dbraw/zinc/46/69/53/806466953.db2.gz FRQPJSYYPNDIIH-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953970 806466959 /nfs/dbraw/zinc/46/69/59/806466959.db2.gz FRQPJSYYPNDIIH-MCIONIFRSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053572 806480612 /nfs/dbraw/zinc/48/06/12/806480612.db2.gz CFNYNXCVDNUCKS-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053572 806480614 /nfs/dbraw/zinc/48/06/14/806480614.db2.gz CFNYNXCVDNUCKS-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053572 806480617 /nfs/dbraw/zinc/48/06/17/806480617.db2.gz CFNYNXCVDNUCKS-UPJWGTAASA-N 2 1 265.357 -0.877 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053541 806482328 /nfs/dbraw/zinc/48/23/28/806482328.db2.gz BDJJFTIIYPIQJA-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053541 806482330 /nfs/dbraw/zinc/48/23/30/806482330.db2.gz BDJJFTIIYPIQJA-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053541 806482332 /nfs/dbraw/zinc/48/23/32/806482332.db2.gz BDJJFTIIYPIQJA-XQQFMLRXSA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027446878 799047837 /nfs/dbraw/zinc/04/78/37/799047837.db2.gz WCXNQVKYRLSKLW-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001027446878 799047852 /nfs/dbraw/zinc/04/78/52/799047852.db2.gz WCXNQVKYRLSKLW-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCO)C1 ZINC001027446878 799047861 /nfs/dbraw/zinc/04/78/61/799047861.db2.gz WCXNQVKYRLSKLW-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCO)C1 ZINC001027446878 799047869 /nfs/dbraw/zinc/04/78/69/799047869.db2.gz WCXNQVKYRLSKLW-CABCVRRESA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027807438 799082805 /nfs/dbraw/zinc/08/28/05/799082805.db2.gz QCPCHFFODRPOHR-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027807438 799082809 /nfs/dbraw/zinc/08/28/09/799082809.db2.gz QCPCHFFODRPOHR-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027807438 799082815 /nfs/dbraw/zinc/08/28/15/799082815.db2.gz QCPCHFFODRPOHR-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027807438 799082819 /nfs/dbraw/zinc/08/28/19/799082819.db2.gz QCPCHFFODRPOHR-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001028329187 799123482 /nfs/dbraw/zinc/12/34/82/799123482.db2.gz HXTPRLQEWRDBEI-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461111 799140542 /nfs/dbraw/zinc/14/05/42/799140542.db2.gz JZGBMFWNXSARGA-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461111 799140545 /nfs/dbraw/zinc/14/05/45/799140545.db2.gz JZGBMFWNXSARGA-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461111 799140550 /nfs/dbraw/zinc/14/05/50/799140550.db2.gz JZGBMFWNXSARGA-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461111 799140555 /nfs/dbraw/zinc/14/05/55/799140555.db2.gz JZGBMFWNXSARGA-UONOGXRCSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001028604380 799153309 /nfs/dbraw/zinc/15/33/09/799153309.db2.gz WXIMGSHZVHSSBH-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001028604380 799153312 /nfs/dbraw/zinc/15/33/12/799153312.db2.gz WXIMGSHZVHSSBH-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCO)C1 ZINC001028604380 799153314 /nfs/dbraw/zinc/15/33/14/799153314.db2.gz WXIMGSHZVHSSBH-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCO)C1 ZINC001028604380 799153318 /nfs/dbraw/zinc/15/33/18/799153318.db2.gz WXIMGSHZVHSSBH-CABCVRRESA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689321 799533971 /nfs/dbraw/zinc/53/39/71/799533971.db2.gz SPFPWSOGSHZTEW-CABCVRRESA-N 2 1 291.395 -0.079 20 30 CBEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689321 799533973 /nfs/dbraw/zinc/53/39/73/799533973.db2.gz SPFPWSOGSHZTEW-CABCVRRESA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032043640 799575202 /nfs/dbraw/zinc/57/52/02/799575202.db2.gz KRTUSJTVLURUIE-UHFFFAOYSA-N 2 1 289.383 -0.261 20 30 CBEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035615313 799953832 /nfs/dbraw/zinc/95/38/32/799953832.db2.gz XFDVOTPNLSCVTD-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035615313 799953842 /nfs/dbraw/zinc/95/38/42/799953842.db2.gz XFDVOTPNLSCVTD-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035615313 799953848 /nfs/dbraw/zinc/95/38/48/799953848.db2.gz XFDVOTPNLSCVTD-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035615313 799953853 /nfs/dbraw/zinc/95/38/53/799953853.db2.gz XFDVOTPNLSCVTD-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038142797 800062557 /nfs/dbraw/zinc/06/25/57/800062557.db2.gz QEXRRCCGSXSKLC-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038142797 800062563 /nfs/dbraw/zinc/06/25/63/800062563.db2.gz QEXRRCCGSXSKLC-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038142795 800064088 /nfs/dbraw/zinc/06/40/88/800064088.db2.gz QEXRRCCGSXSKLC-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038142795 800064097 /nfs/dbraw/zinc/06/40/97/800064097.db2.gz QEXRRCCGSXSKLC-OLZOCXBDSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)CC1 ZINC001046849573 801798685 /nfs/dbraw/zinc/79/86/85/801798685.db2.gz HMISCVGYDYFESR-INIZCTEOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001047528204 801894866 /nfs/dbraw/zinc/89/48/66/801894866.db2.gz MZNSNAIMRFKUFN-KKUMJFAQSA-N 2 1 293.411 -0.145 20 30 CBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047629072 801914824 /nfs/dbraw/zinc/91/48/24/801914824.db2.gz RRVFCJIQQDZWIF-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047629072 801914828 /nfs/dbraw/zinc/91/48/28/801914828.db2.gz RRVFCJIQQDZWIF-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047629072 801914834 /nfs/dbraw/zinc/91/48/34/801914834.db2.gz RRVFCJIQQDZWIF-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047629072 801914838 /nfs/dbraw/zinc/91/48/38/801914838.db2.gz RRVFCJIQQDZWIF-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001124033847 813393830 /nfs/dbraw/zinc/39/38/30/813393830.db2.gz WVGJAAOCPHUTGM-DZGCQCFKSA-N 2 1 290.411 -0.412 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834175 814304792 /nfs/dbraw/zinc/30/47/92/814304792.db2.gz PWLIHWUMYBLUMP-OLZOCXBDSA-N 2 1 296.415 -0.133 20 30 CBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CCC)C1=O ZINC001148643372 814954201 /nfs/dbraw/zinc/95/42/01/814954201.db2.gz XFRJLWDCTNODQU-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148639003 814955204 /nfs/dbraw/zinc/95/52/04/814955204.db2.gz XEDCHMBBGRAVCW-UHFFFAOYSA-N 2 1 270.377 -0.664 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)C(N)=O ZINC001322549735 803908736 /nfs/dbraw/zinc/90/87/36/803908736.db2.gz RWMCTFLBKMHKBF-OLZOCXBDSA-N 2 1 294.399 -0.604 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)C(N)=O ZINC001322549735 803908748 /nfs/dbraw/zinc/90/87/48/803908748.db2.gz RWMCTFLBKMHKBF-OLZOCXBDSA-N 2 1 294.399 -0.604 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001322548579 803909263 /nfs/dbraw/zinc/90/92/63/803909263.db2.gz DOUHRENUGNVUAN-LBPRGKRZSA-N 2 1 280.372 -0.993 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(N)=O ZINC001322548579 803909270 /nfs/dbraw/zinc/90/92/70/803909270.db2.gz DOUHRENUGNVUAN-LBPRGKRZSA-N 2 1 280.372 -0.993 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590139 815037166 /nfs/dbraw/zinc/03/71/66/815037166.db2.gz ZUWFGMIBHQRPEV-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590139 815037175 /nfs/dbraw/zinc/03/71/75/815037175.db2.gz ZUWFGMIBHQRPEV-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152445634 815122299 /nfs/dbraw/zinc/12/22/99/815122299.db2.gz LDHSLJMSJXVABM-GFCCVEGCSA-N 2 1 295.387 -0.794 20 30 CBEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152620923 815131637 /nfs/dbraw/zinc/13/16/37/815131637.db2.gz QHBJECPMZNHDGX-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152620923 815131642 /nfs/dbraw/zinc/13/16/42/815131642.db2.gz QHBJECPMZNHDGX-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152620923 815131643 /nfs/dbraw/zinc/13/16/43/815131643.db2.gz QHBJECPMZNHDGX-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152620923 815131647 /nfs/dbraw/zinc/13/16/47/815131647.db2.gz QHBJECPMZNHDGX-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155822366 815314076 /nfs/dbraw/zinc/31/40/76/815314076.db2.gz OTJXYYCAQQLGEO-OLZOCXBDSA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144197 815340517 /nfs/dbraw/zinc/34/05/17/815340517.db2.gz BFWLADAEMUAZEV-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144197 815340523 /nfs/dbraw/zinc/34/05/23/815340523.db2.gz BFWLADAEMUAZEV-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001086109768 810242411 /nfs/dbraw/zinc/24/24/11/810242411.db2.gz DEZKUNIMGMWUHD-KBXIAJHMSA-N 2 1 293.411 -0.051 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001086109768 810242419 /nfs/dbraw/zinc/24/24/19/810242419.db2.gz DEZKUNIMGMWUHD-KBXIAJHMSA-N 2 1 293.411 -0.051 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086276477 810255123 /nfs/dbraw/zinc/25/51/23/810255123.db2.gz RSCMBXCYSCIDNT-MJBXVCDLSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086276477 810255125 /nfs/dbraw/zinc/25/51/25/810255125.db2.gz RSCMBXCYSCIDNT-MJBXVCDLSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086556964 810280333 /nfs/dbraw/zinc/28/03/33/810280333.db2.gz RSCMBXCYSCIDNT-IHRRRGAJSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086556964 810280337 /nfs/dbraw/zinc/28/03/37/810280337.db2.gz RSCMBXCYSCIDNT-IHRRRGAJSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433062 810497187 /nfs/dbraw/zinc/49/71/87/810497187.db2.gz ODWDCDFEYINZAU-UONOGXRCSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433062 810497196 /nfs/dbraw/zinc/49/71/96/810497196.db2.gz ODWDCDFEYINZAU-UONOGXRCSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574408 810527360 /nfs/dbraw/zinc/52/73/60/810527360.db2.gz SPMXHTBLWIRDLJ-UONOGXRCSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574408 810527366 /nfs/dbraw/zinc/52/73/66/810527366.db2.gz SPMXHTBLWIRDLJ-UONOGXRCSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574408 810527373 /nfs/dbraw/zinc/52/73/73/810527373.db2.gz SPMXHTBLWIRDLJ-UONOGXRCSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574408 810527378 /nfs/dbraw/zinc/52/73/78/810527378.db2.gz SPMXHTBLWIRDLJ-UONOGXRCSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730084 810559884 /nfs/dbraw/zinc/55/98/84/810559884.db2.gz FWPKHKLFAHUHFM-STQMWFEESA-N 2 1 279.384 -0.180 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099876335 810958908 /nfs/dbraw/zinc/95/89/08/810958908.db2.gz BTYIISCGZKCCSY-ZIAGYGMSSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099876335 810958911 /nfs/dbraw/zinc/95/89/11/810958911.db2.gz BTYIISCGZKCCSY-ZIAGYGMSSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099876335 810958916 /nfs/dbraw/zinc/95/89/16/810958916.db2.gz BTYIISCGZKCCSY-ZIAGYGMSSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099876335 810958922 /nfs/dbraw/zinc/95/89/22/810958922.db2.gz BTYIISCGZKCCSY-ZIAGYGMSSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985916 810983975 /nfs/dbraw/zinc/98/39/75/810983975.db2.gz GYHFPFBZPUSCQY-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989516 810986895 /nfs/dbraw/zinc/98/68/95/810986895.db2.gz RRYHLOWBMFBILB-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100067789 811011743 /nfs/dbraw/zinc/01/17/43/811011743.db2.gz XWGMRDZJVUBJEU-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100067789 811011748 /nfs/dbraw/zinc/01/17/48/811011748.db2.gz XWGMRDZJVUBJEU-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100067789 811011753 /nfs/dbraw/zinc/01/17/53/811011753.db2.gz XWGMRDZJVUBJEU-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100078133 811015000 /nfs/dbraw/zinc/01/50/00/811015000.db2.gz DHGCDHUNIFLKDK-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100078133 811015013 /nfs/dbraw/zinc/01/50/13/811015013.db2.gz DHGCDHUNIFLKDK-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078133 811015021 /nfs/dbraw/zinc/01/50/21/811015021.db2.gz DHGCDHUNIFLKDK-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078133 811015030 /nfs/dbraw/zinc/01/50/30/811015030.db2.gz DHGCDHUNIFLKDK-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073758 811015629 /nfs/dbraw/zinc/01/56/29/811015629.db2.gz GQMUDJSQADQOHW-KBPBESRZSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080719 811016938 /nfs/dbraw/zinc/01/69/38/811016938.db2.gz LUOFUFIYEDHGCH-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080719 811016945 /nfs/dbraw/zinc/01/69/45/811016945.db2.gz LUOFUFIYEDHGCH-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100082578 811019056 /nfs/dbraw/zinc/01/90/56/811019056.db2.gz FCKLILQVJXBDHT-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100082578 811019063 /nfs/dbraw/zinc/01/90/63/811019063.db2.gz FCKLILQVJXBDHT-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100082578 811019068 /nfs/dbraw/zinc/01/90/68/811019068.db2.gz FCKLILQVJXBDHT-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100211941 811039258 /nfs/dbraw/zinc/03/92/58/811039258.db2.gz IATFLLDYBGCEKA-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100211941 811039265 /nfs/dbraw/zinc/03/92/65/811039265.db2.gz IATFLLDYBGCEKA-RUXDESIVSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114975893 812170311 /nfs/dbraw/zinc/17/03/11/812170311.db2.gz RWGHQJWTEHEBQI-NHAGDIPZSA-N 2 1 277.368 -0.612 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114975893 812170314 /nfs/dbraw/zinc/17/03/14/812170314.db2.gz RWGHQJWTEHEBQI-NHAGDIPZSA-N 2 1 277.368 -0.612 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158420599 815527842 /nfs/dbraw/zinc/52/78/42/815527842.db2.gz GTENQNVHFVHSDL-CHWSQXEVSA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507059 815536389 /nfs/dbraw/zinc/53/63/89/815536389.db2.gz OYUQMBPPQZLQIG-UONOGXRCSA-N 2 1 279.384 -0.031 20 30 CBEDMP N#CCCN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001118932877 812668916 /nfs/dbraw/zinc/66/89/16/812668916.db2.gz DEQFQGJKKYCCRS-UHFFFAOYSA-N 2 1 251.378 -0.577 20 30 CBEDMP C#CC[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001121902672 813088451 /nfs/dbraw/zinc/08/84/51/813088451.db2.gz BYHDSDRJKALJJK-ZDUSSCGKSA-N 2 1 267.373 -0.318 20 30 CBEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125219781 813533021 /nfs/dbraw/zinc/53/30/21/813533021.db2.gz BNBJJBGCESZNMP-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125219781 813533026 /nfs/dbraw/zinc/53/30/26/813533026.db2.gz BNBJJBGCESZNMP-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127067116 813709016 /nfs/dbraw/zinc/70/90/16/813709016.db2.gz WVEIZUCOZQBXQG-GFCCVEGCSA-N 2 1 295.387 -0.795 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643846 813740089 /nfs/dbraw/zinc/74/00/89/813740089.db2.gz NSTDAFGUBBZPJR-YNEHKIRRSA-N 2 1 294.399 -0.830 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784835 813748022 /nfs/dbraw/zinc/74/80/22/813748022.db2.gz BSQIXABQJRSGIS-STQMWFEESA-N 2 1 265.357 -0.421 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001129770602 813863961 /nfs/dbraw/zinc/86/39/61/813863961.db2.gz JTMFMNUDTOMRKU-ZDUSSCGKSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001129770602 813863969 /nfs/dbraw/zinc/86/39/69/813863969.db2.gz JTMFMNUDTOMRKU-ZDUSSCGKSA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182715 813912771 /nfs/dbraw/zinc/91/27/71/813912771.db2.gz UOHOGCIIVRHZEM-CHWSQXEVSA-N 2 1 285.388 -0.386 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182715 813912763 /nfs/dbraw/zinc/91/27/63/813912763.db2.gz UOHOGCIIVRHZEM-CHWSQXEVSA-N 2 1 285.388 -0.386 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419415 813938663 /nfs/dbraw/zinc/93/86/63/813938663.db2.gz ZPAMGFNQUQRCED-UHFFFAOYSA-N 2 1 282.388 -0.828 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380635 814026221 /nfs/dbraw/zinc/02/62/21/814026221.db2.gz UMYQUFQAFWVHAJ-UHFFFAOYSA-N 2 1 264.329 -0.453 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131377744 814026852 /nfs/dbraw/zinc/02/68/52/814026852.db2.gz ZKCWNPLQTPWBAE-UHFFFAOYSA-N 2 1 279.344 -0.800 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525733 814037576 /nfs/dbraw/zinc/03/75/76/814037576.db2.gz IINYWRQVXFOBJQ-MBHSVXNSSA-N 2 1 263.341 -0.811 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869121 814313399 /nfs/dbraw/zinc/31/33/99/814313399.db2.gz BIDGCDRCJRMJEJ-CHWSQXEVSA-N 2 1 267.373 -0.460 20 30 CBEDMP C#CC[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135321597 814460245 /nfs/dbraw/zinc/46/02/45/814460245.db2.gz QJSFVPHCGXDMDX-UHFFFAOYSA-N 2 1 267.373 -0.172 20 30 CBEDMP CC#CC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135340746 814465746 /nfs/dbraw/zinc/46/57/46/814465746.db2.gz HQKQSPSPTBNKKD-UHFFFAOYSA-N 2 1 253.346 -0.562 20 30 CBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)CC)C1=O ZINC001146704524 814844100 /nfs/dbraw/zinc/84/41/00/814844100.db2.gz DANULWBAUZACBU-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP N#CCCN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160484117 815627960 /nfs/dbraw/zinc/62/79/60/815627960.db2.gz YMQPIJANLYXATA-UHFFFAOYSA-N 2 1 279.388 -0.614 20 30 CBEDMP N#CCCN(CCC#N)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160749996 815666783 /nfs/dbraw/zinc/66/67/83/815666783.db2.gz DKUUNLSJJDMYHG-UHFFFAOYSA-N 2 1 263.345 -0.016 20 30 CBEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161040546 815702174 /nfs/dbraw/zinc/70/21/74/815702174.db2.gz BVQKLHLANBMVCH-LBPRGKRZSA-N 2 1 295.387 -0.794 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606737 815836190 /nfs/dbraw/zinc/83/61/90/815836190.db2.gz VMTFENBOPCXDSC-UHFFFAOYSA-N 2 1 291.355 -0.963 20 30 CBEDMP COCC[N@H+]1CC[C@H](NC(=O)NCC#CC[NH+](C)C)C1 ZINC001312080184 816849299 /nfs/dbraw/zinc/84/92/99/816849299.db2.gz VPERNBQXYCWCIQ-ZDUSSCGKSA-N 2 1 282.388 -0.429 20 30 CBEDMP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317287104 816959328 /nfs/dbraw/zinc/95/93/28/816959328.db2.gz YBVXILVZTABJCY-NWDGAFQWSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317287104 816959331 /nfs/dbraw/zinc/95/93/31/816959331.db2.gz YBVXILVZTABJCY-NWDGAFQWSA-N 2 1 255.362 -0.013 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCO ZINC001317395230 816971323 /nfs/dbraw/zinc/97/13/23/816971323.db2.gz GSHJWZCJBYPJDG-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCO ZINC001317395230 816971326 /nfs/dbraw/zinc/97/13/26/816971326.db2.gz GSHJWZCJBYPJDG-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317578216 817019823 /nfs/dbraw/zinc/01/98/23/817019823.db2.gz HRWRFCAXOKCGCB-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317578216 817019829 /nfs/dbraw/zinc/01/98/29/817019829.db2.gz HRWRFCAXOKCGCB-LBPRGKRZSA-N 2 1 255.362 -0.059 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)O ZINC001317596017 817026825 /nfs/dbraw/zinc/02/68/25/817026825.db2.gz DWLPLJCCBFOKMC-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)O ZINC001317596017 817026832 /nfs/dbraw/zinc/02/68/32/817026832.db2.gz DWLPLJCCBFOKMC-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001318162115 817082634 /nfs/dbraw/zinc/08/26/34/817082634.db2.gz XXXJXLHYBBOCPX-UHFFFAOYSA-N 2 1 279.384 -0.220 20 30 CBEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319174028 817173480 /nfs/dbraw/zinc/17/34/80/817173480.db2.gz OJHJRMSVUXUJAG-VXGBXAGGSA-N 2 1 253.346 -0.708 20 30 CBEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319174028 817173487 /nfs/dbraw/zinc/17/34/87/817173487.db2.gz OJHJRMSVUXUJAG-VXGBXAGGSA-N 2 1 253.346 -0.708 20 30 CBEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319174026 817173974 /nfs/dbraw/zinc/17/39/74/817173974.db2.gz OJHJRMSVUXUJAG-NWDGAFQWSA-N 2 1 253.346 -0.708 20 30 CBEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319174026 817173981 /nfs/dbraw/zinc/17/39/81/817173981.db2.gz OJHJRMSVUXUJAG-NWDGAFQWSA-N 2 1 253.346 -0.708 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001320264051 817308580 /nfs/dbraw/zinc/30/85/80/817308580.db2.gz QCUGCOLNDRWGDC-UONOGXRCSA-N 2 1 281.400 -0.192 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320315444 817320643 /nfs/dbraw/zinc/32/06/43/817320643.db2.gz UJISGIDLOUWPJJ-NWDGAFQWSA-N 2 1 253.346 -0.972 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320315555 817321582 /nfs/dbraw/zinc/32/15/82/817321582.db2.gz JAEGIKNUOAFVIA-ZIAGYGMSSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001320647103 817366922 /nfs/dbraw/zinc/36/69/22/817366922.db2.gz SFRWQESCZFPIBL-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001320647103 817366929 /nfs/dbraw/zinc/36/69/29/817366929.db2.gz SFRWQESCZFPIBL-CHWSQXEVSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001320647104 817368013 /nfs/dbraw/zinc/36/80/13/817368013.db2.gz SFRWQESCZFPIBL-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001320647104 817368021 /nfs/dbraw/zinc/36/80/21/817368021.db2.gz SFRWQESCZFPIBL-OLZOCXBDSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940490 819871457 /nfs/dbraw/zinc/87/14/57/819871457.db2.gz MACPNLRGWIHUMZ-CYBMUJFWSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940490 819871467 /nfs/dbraw/zinc/87/14/67/819871467.db2.gz MACPNLRGWIHUMZ-CYBMUJFWSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168442175 820162827 /nfs/dbraw/zinc/16/28/27/820162827.db2.gz NMHJGVBDDVXSGB-UHFFFAOYSA-N 2 1 253.346 -0.562 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176637121 820455180 /nfs/dbraw/zinc/45/51/80/820455180.db2.gz YDZOTVFBMMESSA-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176637121 820455185 /nfs/dbraw/zinc/45/51/85/820455185.db2.gz YDZOTVFBMMESSA-CYBMUJFWSA-N 2 1 267.373 -0.174 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821800 820833953 /nfs/dbraw/zinc/83/39/53/820833953.db2.gz IMNDVSXEBFRHLR-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821800 820833963 /nfs/dbraw/zinc/83/39/63/820833963.db2.gz IMNDVSXEBFRHLR-CHWSQXEVSA-N 2 1 265.357 -0.469 20 30 CBEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001280473376 828355427 /nfs/dbraw/zinc/35/54/27/828355427.db2.gz PPWMIZVQCKZGKF-ZDUSSCGKSA-N 2 1 279.384 -0.031 20 30 CBEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001280473376 828355436 /nfs/dbraw/zinc/35/54/36/828355436.db2.gz PPWMIZVQCKZGKF-ZDUSSCGKSA-N 2 1 279.384 -0.031 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187981814 822313784 /nfs/dbraw/zinc/31/37/84/822313784.db2.gz ACBSVPSPDHMOFT-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187981814 822313796 /nfs/dbraw/zinc/31/37/96/822313796.db2.gz ACBSVPSPDHMOFT-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001281636981 828421338 /nfs/dbraw/zinc/42/13/38/828421338.db2.gz QBEKZWIFSCXKGC-CQSZACIVSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001282497222 828450349 /nfs/dbraw/zinc/45/03/49/828450349.db2.gz MLMXUBMFCIEADC-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001282497222 828450350 /nfs/dbraw/zinc/45/03/50/828450350.db2.gz MLMXUBMFCIEADC-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001282497222 828450352 /nfs/dbraw/zinc/45/03/52/828450352.db2.gz MLMXUBMFCIEADC-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001282497222 828450355 /nfs/dbraw/zinc/45/03/55/828450355.db2.gz MLMXUBMFCIEADC-CHWSQXEVSA-N 2 1 267.373 -0.223 20 30 CBEDMP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283470388 828520784 /nfs/dbraw/zinc/52/07/84/828520784.db2.gz BGBRLDCBTQPROJ-CYBMUJFWSA-N 2 1 267.373 -0.316 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283805108 828550310 /nfs/dbraw/zinc/55/03/10/828550310.db2.gz QIBQITYNTUBUGB-DOMZBBRYSA-N 2 1 299.390 -0.101 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194085664 824059182 /nfs/dbraw/zinc/05/91/82/824059182.db2.gz HPPWSCGCJUGFBJ-IJLUTSLNSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194085664 824059187 /nfs/dbraw/zinc/05/91/87/824059187.db2.gz HPPWSCGCJUGFBJ-IJLUTSLNSA-N 2 1 255.362 -0.326 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244669 824064650 /nfs/dbraw/zinc/06/46/50/824064650.db2.gz VOYPSCQITMWMFC-CHWSQXEVSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244669 824064654 /nfs/dbraw/zinc/06/46/54/824064654.db2.gz VOYPSCQITMWMFC-CHWSQXEVSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708187 824129580 /nfs/dbraw/zinc/12/95/80/824129580.db2.gz HLPWYHLZDISHRK-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708187 824129581 /nfs/dbraw/zinc/12/95/81/824129581.db2.gz HLPWYHLZDISHRK-CHWSQXEVSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268404 824155684 /nfs/dbraw/zinc/15/56/84/824155684.db2.gz SSTGARSQKVMUHS-FRRDWIJNSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268404 824155685 /nfs/dbraw/zinc/15/56/85/824155685.db2.gz SSTGARSQKVMUHS-FRRDWIJNSA-N 2 1 267.373 -0.489 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197034477 824176313 /nfs/dbraw/zinc/17/63/13/824176313.db2.gz OXEUSAXFGUKCKL-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197034477 824176317 /nfs/dbraw/zinc/17/63/17/824176317.db2.gz OXEUSAXFGUKCKL-VXGBXAGGSA-N 2 1 255.362 -0.325 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198038047 824215027 /nfs/dbraw/zinc/21/50/27/824215027.db2.gz HSZBMDZCLQQXFD-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198038047 824215036 /nfs/dbraw/zinc/21/50/36/824215036.db2.gz HSZBMDZCLQQXFD-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198038047 824215043 /nfs/dbraw/zinc/21/50/43/824215043.db2.gz HSZBMDZCLQQXFD-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198038047 824215052 /nfs/dbraw/zinc/21/50/52/824215052.db2.gz HSZBMDZCLQQXFD-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1 ZINC001198285442 824223793 /nfs/dbraw/zinc/22/37/93/824223793.db2.gz KPYRKNQZGLPMSI-CHWSQXEVSA-N 2 1 278.356 -0.300 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199119563 824248794 /nfs/dbraw/zinc/24/87/94/824248794.db2.gz JWYZACLBWWEIDC-VXGBXAGGSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199119563 824248799 /nfs/dbraw/zinc/24/87/99/824248799.db2.gz JWYZACLBWWEIDC-VXGBXAGGSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199119563 824248808 /nfs/dbraw/zinc/24/88/08/824248808.db2.gz JWYZACLBWWEIDC-VXGBXAGGSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199119563 824248814 /nfs/dbraw/zinc/24/88/14/824248814.db2.gz JWYZACLBWWEIDC-VXGBXAGGSA-N 2 1 255.362 -0.326 20 30 CBEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199942970 824297588 /nfs/dbraw/zinc/29/75/88/824297588.db2.gz CFXQDNLFHDKKRH-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942970 824297596 /nfs/dbraw/zinc/29/75/96/824297596.db2.gz CFXQDNLFHDKKRH-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204881553 824371794 /nfs/dbraw/zinc/37/17/94/824371794.db2.gz DKIKLILXDIYUKQ-CQSZACIVSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204881553 824371798 /nfs/dbraw/zinc/37/17/98/824371798.db2.gz DKIKLILXDIYUKQ-CQSZACIVSA-N 2 1 279.384 -0.222 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735074 824437940 /nfs/dbraw/zinc/43/79/40/824437940.db2.gz VKVWOJKXJFZLLR-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735074 824437941 /nfs/dbraw/zinc/43/79/41/824437941.db2.gz VKVWOJKXJFZLLR-ZIAGYGMSSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208493248 824454259 /nfs/dbraw/zinc/45/42/59/824454259.db2.gz XFNRXKUGGDBQBA-CHWSQXEVSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208493248 824454261 /nfs/dbraw/zinc/45/42/61/824454261.db2.gz XFNRXKUGGDBQBA-CHWSQXEVSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219875211 824906509 /nfs/dbraw/zinc/90/65/09/824906509.db2.gz SSTGARSQKVMUHS-UPJWGTAASA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219875211 824906515 /nfs/dbraw/zinc/90/65/15/824906515.db2.gz SSTGARSQKVMUHS-UPJWGTAASA-N 2 1 267.373 -0.489 20 30 CBEDMP C=C(C)C(=O)OCCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220124579 824960874 /nfs/dbraw/zinc/96/08/74/824960874.db2.gz CYZNIIPCFRTPRN-UHFFFAOYSA-N 2 1 269.345 -0.437 20 30 CBEDMP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])cc1F ZINC001220449155 825041655 /nfs/dbraw/zinc/04/16/55/825041655.db2.gz MKNGBHSEELJORM-NSHDSACASA-N 2 1 250.277 -0.010 20 30 CBEDMP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)OCC ZINC001220571570 825066093 /nfs/dbraw/zinc/06/60/93/825066093.db2.gz URQRQEMRYRALAQ-VDDIYKPWSA-N 2 1 255.318 -0.714 20 30 CBEDMP C=C[C@@H]1C[C@]1(NC(=O)C[NH2+]C1CC[NH2+]CC1)C(=O)OCC ZINC001220571496 825066351 /nfs/dbraw/zinc/06/63/51/825066351.db2.gz SISVIIMGZATZOA-IAQYHMDHSA-N 2 1 295.383 -0.048 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220682896 825084941 /nfs/dbraw/zinc/08/49/41/825084941.db2.gz GGTQPBUMZOFMRW-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220682896 825084950 /nfs/dbraw/zinc/08/49/50/825084950.db2.gz GGTQPBUMZOFMRW-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220682896 825084959 /nfs/dbraw/zinc/08/49/59/825084959.db2.gz GGTQPBUMZOFMRW-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682896 825084968 /nfs/dbraw/zinc/08/49/68/825084968.db2.gz GGTQPBUMZOFMRW-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682896 825084978 /nfs/dbraw/zinc/08/49/78/825084978.db2.gz GGTQPBUMZOFMRW-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688455 825087653 /nfs/dbraw/zinc/08/76/53/825087653.db2.gz HBFDDHGHSDWVSA-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688455 825087664 /nfs/dbraw/zinc/08/76/64/825087664.db2.gz HBFDDHGHSDWVSA-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688455 825087675 /nfs/dbraw/zinc/08/76/75/825087675.db2.gz HBFDDHGHSDWVSA-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807520 825104038 /nfs/dbraw/zinc/10/40/38/825104038.db2.gz VQVOCKZFLGULTL-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220868450 825115651 /nfs/dbraw/zinc/11/56/51/825115651.db2.gz KIRWGNTZYVFTQZ-SDDRHHMPSA-N 2 1 253.346 -0.667 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220868635 825116716 /nfs/dbraw/zinc/11/67/16/825116716.db2.gz MYAYKPDJOQPVJX-JSGCOSHPSA-N 2 1 266.389 -0.166 20 30 CBEDMP C=CCCCCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871963 825117108 /nfs/dbraw/zinc/11/71/08/825117108.db2.gz FETNMDTXVNCZKI-ZDUSSCGKSA-N 2 1 296.415 -0.002 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093369 825143151 /nfs/dbraw/zinc/14/31/51/825143151.db2.gz JWYZACLBWWEIDC-NEPJUHHUSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093369 825143158 /nfs/dbraw/zinc/14/31/58/825143158.db2.gz JWYZACLBWWEIDC-NEPJUHHUSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093369 825143164 /nfs/dbraw/zinc/14/31/64/825143164.db2.gz JWYZACLBWWEIDC-NEPJUHHUSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093369 825143166 /nfs/dbraw/zinc/14/31/66/825143166.db2.gz JWYZACLBWWEIDC-NEPJUHHUSA-N 2 1 255.362 -0.326 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)CC[NH3+] ZINC001238670887 825561699 /nfs/dbraw/zinc/56/16/99/825561699.db2.gz LIQRDKMJCJFWCT-JTQLQIEISA-N 2 1 293.389 -0.909 20 30 CBEDMP C#CCOC[C@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245989103 825618534 /nfs/dbraw/zinc/61/85/34/825618534.db2.gz XVRLYZSCKMXQEM-ZIAGYGMSSA-N 2 1 281.400 -0.539 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246024667 825624825 /nfs/dbraw/zinc/62/48/25/825624825.db2.gz INQXDWNHNSGVMM-STQMWFEESA-N 2 1 255.362 -0.813 20 30 CBEDMP C=CCOC[C@@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246024667 825624829 /nfs/dbraw/zinc/62/48/29/825624829.db2.gz INQXDWNHNSGVMM-STQMWFEESA-N 2 1 255.362 -0.813 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246044825 825629009 /nfs/dbraw/zinc/62/90/09/825629009.db2.gz HLUXPHLUKHLFRD-DAAZQVBGSA-N 2 1 256.346 -0.545 20 30 CBEDMP C=CCC[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246053405 825630438 /nfs/dbraw/zinc/63/04/38/825630438.db2.gz HRNQHCILJVELSU-AWEZNQCLSA-N 2 1 270.421 -0.602 20 30 CBEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246592322 825692811 /nfs/dbraw/zinc/69/28/11/825692811.db2.gz AGQXIIBYXGQPGN-STQMWFEESA-N 2 1 263.389 -0.342 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001251843617 825794371 /nfs/dbraw/zinc/79/43/71/825794371.db2.gz KVPDIWWRIFPKJZ-OWCLPIDISA-N 2 1 295.427 -0.293 20 30 CBEDMP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC001251896092 825804208 /nfs/dbraw/zinc/80/42/08/825804208.db2.gz AQIGGXLYZDHPKF-AWEZNQCLSA-N 2 1 270.373 -0.303 20 30 CBEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264079069 826798434 /nfs/dbraw/zinc/79/84/34/826798434.db2.gz WZMNACUFPJGDKC-HUUCEWRRSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001264079069 826798442 /nfs/dbraw/zinc/79/84/42/826798442.db2.gz WZMNACUFPJGDKC-HUUCEWRRSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001264079069 826798443 /nfs/dbraw/zinc/79/84/43/826798443.db2.gz WZMNACUFPJGDKC-HUUCEWRRSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001264633883 826814848 /nfs/dbraw/zinc/81/48/48/826814848.db2.gz HKRXLMVCFOTRKY-AWEZNQCLSA-N 2 1 281.400 -0.143 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC(N)=O)CC1 ZINC001265072666 826846809 /nfs/dbraw/zinc/84/68/09/826846809.db2.gz BHANTHSGEQKSBN-UHFFFAOYSA-N 2 1 294.399 -0.745 20 30 CBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266359433 826988957 /nfs/dbraw/zinc/98/89/57/826988957.db2.gz VIIGIDBZFXONJW-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266359433 826988962 /nfs/dbraw/zinc/98/89/62/826988962.db2.gz VIIGIDBZFXONJW-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266359433 826988965 /nfs/dbraw/zinc/98/89/65/826988965.db2.gz VIIGIDBZFXONJW-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266359433 826988968 /nfs/dbraw/zinc/98/89/68/826988968.db2.gz VIIGIDBZFXONJW-KBPBESRZSA-N 2 1 279.384 -0.222 20 30 CBEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266517227 827014690 /nfs/dbraw/zinc/01/46/90/827014690.db2.gz QCSVSJLIGHXSMT-KBPBESRZSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266517227 827014699 /nfs/dbraw/zinc/01/46/99/827014699.db2.gz QCSVSJLIGHXSMT-KBPBESRZSA-N 2 1 297.399 -0.290 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCO)C2CC2)CC1 ZINC001266621728 827032230 /nfs/dbraw/zinc/03/22/30/827032230.db2.gz IPRULMZJWXLISU-UHFFFAOYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266673926 827045720 /nfs/dbraw/zinc/04/57/20/827045720.db2.gz HDVRPVOGYAQRMU-FRRDWIJNSA-N 2 1 292.383 -0.933 20 30 CBEDMP COCC#CC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001266978011 827101522 /nfs/dbraw/zinc/10/15/22/827101522.db2.gz GFDBVHUOYRXQHN-CQSZACIVSA-N 2 1 297.399 -0.547 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267189548 827123769 /nfs/dbraw/zinc/12/37/69/827123769.db2.gz XBSDJLYAZIRBSE-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267189548 827123772 /nfs/dbraw/zinc/12/37/72/827123772.db2.gz XBSDJLYAZIRBSE-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267189548 827123775 /nfs/dbraw/zinc/12/37/75/827123775.db2.gz XBSDJLYAZIRBSE-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267189548 827123777 /nfs/dbraw/zinc/12/37/77/827123777.db2.gz XBSDJLYAZIRBSE-CHWSQXEVSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001267225991 827133266 /nfs/dbraw/zinc/13/32/66/827133266.db2.gz JQLZHNJIKJDUGY-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001267225991 827133270 /nfs/dbraw/zinc/13/32/70/827133270.db2.gz JQLZHNJIKJDUGY-STQMWFEESA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC ZINC001267806422 827224703 /nfs/dbraw/zinc/22/47/03/827224703.db2.gz NQTQQOGBVXLTEG-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC ZINC001267806422 827224710 /nfs/dbraw/zinc/22/47/10/827224710.db2.gz NQTQQOGBVXLTEG-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268317276 827295315 /nfs/dbraw/zinc/29/53/15/827295315.db2.gz QEMWVMVVHDUIHH-NWDGAFQWSA-N 2 1 253.346 -0.829 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268315495 827295418 /nfs/dbraw/zinc/29/54/18/827295418.db2.gz BTHKPDJFUMOFEF-VXGBXAGGSA-N 2 1 255.362 -0.277 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268315492 827295662 /nfs/dbraw/zinc/29/56/62/827295662.db2.gz BTHKPDJFUMOFEF-NWDGAFQWSA-N 2 1 255.362 -0.277 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[N@H+](C)CC ZINC001268329672 827304404 /nfs/dbraw/zinc/30/44/04/827304404.db2.gz WOJBJYCDPYOMTP-GFCCVEGCSA-N 2 1 255.362 -0.582 20 30 CBEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268355725 827314561 /nfs/dbraw/zinc/31/45/61/827314561.db2.gz ZIZWQEXFLJYBEB-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268355725 827314569 /nfs/dbraw/zinc/31/45/69/827314569.db2.gz ZIZWQEXFLJYBEB-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CC1 ZINC001269428249 827507408 /nfs/dbraw/zinc/50/74/08/827507408.db2.gz ITSMNLUYKWROFY-LBPRGKRZSA-N 2 1 265.357 -0.685 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CC1 ZINC001269428249 827507413 /nfs/dbraw/zinc/50/74/13/827507413.db2.gz ITSMNLUYKWROFY-LBPRGKRZSA-N 2 1 265.357 -0.685 20 30 CBEDMP C#CCN1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001271159639 827671004 /nfs/dbraw/zinc/67/10/04/827671004.db2.gz LAAKJHDKIBYEDU-GOEBONIOSA-N 2 1 289.379 -0.730 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001272519644 827811136 /nfs/dbraw/zinc/81/11/36/827811136.db2.gz CSWNCUDLRNHHGD-QWHCGFSZSA-N 2 1 269.389 -0.029 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272521886 827811696 /nfs/dbraw/zinc/81/16/96/827811696.db2.gz SRIMXYTUPMZXJW-JSGCOSHPSA-N 2 1 290.367 -0.546 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272521885 827811715 /nfs/dbraw/zinc/81/17/15/827811715.db2.gz SRIMXYTUPMZXJW-GXTWGEPZSA-N 2 1 290.367 -0.546 20 30 CBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001274521843 827996582 /nfs/dbraw/zinc/99/65/82/827996582.db2.gz ZRGXQCKCVBYPDH-ZIAGYGMSSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001275639228 828106014 /nfs/dbraw/zinc/10/60/14/828106014.db2.gz UDLNXVHIIBXWAW-CHWSQXEVSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001275639228 828106015 /nfs/dbraw/zinc/10/60/15/828106015.db2.gz UDLNXVHIIBXWAW-CHWSQXEVSA-N 2 1 296.415 -0.488 20 30 CBEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001276956678 828168664 /nfs/dbraw/zinc/16/86/64/828168664.db2.gz QEBZJXCQFZLWCD-JHJVBQTASA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001276956678 828168669 /nfs/dbraw/zinc/16/86/69/828168669.db2.gz QEBZJXCQFZLWCD-JHJVBQTASA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278017890 828231858 /nfs/dbraw/zinc/23/18/58/828231858.db2.gz QVRMEJDAPVOVQF-STQMWFEESA-N 2 1 294.399 -0.876 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278106000 828247324 /nfs/dbraw/zinc/24/73/24/828247324.db2.gz RASLWZFYKBPUMW-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001278106000 828247329 /nfs/dbraw/zinc/24/73/29/828247329.db2.gz RASLWZFYKBPUMW-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278780238 828287961 /nfs/dbraw/zinc/28/79/61/828287961.db2.gz ZMZOYZDABUCEIW-LBPRGKRZSA-N 2 1 266.345 -0.214 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278826225 828292964 /nfs/dbraw/zinc/29/29/64/828292964.db2.gz BAZCFUATIPIMPM-CHWSQXEVSA-N 2 1 267.373 -0.630 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278826226 828293705 /nfs/dbraw/zinc/29/37/05/828293705.db2.gz BAZCFUATIPIMPM-OLZOCXBDSA-N 2 1 267.373 -0.630 20 30 CBEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001279531170 828330652 /nfs/dbraw/zinc/33/06/52/828330652.db2.gz ZHESSTWNELRBLP-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001279531170 828330660 /nfs/dbraw/zinc/33/06/60/828330660.db2.gz ZHESSTWNELRBLP-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001279531170 828330666 /nfs/dbraw/zinc/33/06/66/828330666.db2.gz ZHESSTWNELRBLP-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001279531170 828330671 /nfs/dbraw/zinc/33/06/71/828330671.db2.gz ZHESSTWNELRBLP-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331683431 886904680 /nfs/dbraw/zinc/90/46/80/886904680.db2.gz KFEWTOBUCSUDNF-NWDGAFQWSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001333268696 887576858 /nfs/dbraw/zinc/57/68/58/887576858.db2.gz CELFTIACHMVEFG-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001333268696 887576864 /nfs/dbraw/zinc/57/68/64/887576864.db2.gz CELFTIACHMVEFG-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC#CC[NH+](C)C ZINC001347143337 890415827 /nfs/dbraw/zinc/41/58/27/890415827.db2.gz PDITWUYBEFBEPR-OLZOCXBDSA-N 2 1 264.373 -0.944 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cnc[nH]1 ZINC001128972978 884668888 /nfs/dbraw/zinc/66/88/88/884668888.db2.gz PVRFTUFNPPYXCB-LLVKDONJSA-N 2 1 291.355 -0.814 20 30 CBEDMP C=CCC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252612582 884802443 /nfs/dbraw/zinc/80/24/43/884802443.db2.gz PDJIJBBWPKHYCO-CYBMUJFWSA-N 2 1 260.378 -0.420 20 30 CBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001328155727 885586791 /nfs/dbraw/zinc/58/67/91/885586791.db2.gz LTSLSCCHPPOEPO-ZDUSSCGKSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001328559172 885725186 /nfs/dbraw/zinc/72/51/86/885725186.db2.gz TXSMXKSVAFEDPU-AWEZNQCLSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329202502 885965765 /nfs/dbraw/zinc/96/57/65/885965765.db2.gz KYRJKTFYPPETET-NEPJUHHUSA-N 2 1 297.403 -0.551 20 30 CBEDMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001329592469 886135349 /nfs/dbraw/zinc/13/53/49/886135349.db2.gz PSZQACPDWOZXHV-RYUDHWBXSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001329592469 886135359 /nfs/dbraw/zinc/13/53/59/886135359.db2.gz PSZQACPDWOZXHV-RYUDHWBXSA-N 2 1 297.403 -0.597 20 30 CBEDMP C=CC[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H](C)COC ZINC001329924876 886279860 /nfs/dbraw/zinc/27/98/60/886279860.db2.gz BWEGVGDGUHDFMS-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CC[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H](C)COC ZINC001329924876 886279879 /nfs/dbraw/zinc/27/98/79/886279879.db2.gz BWEGVGDGUHDFMS-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001330609444 886501823 /nfs/dbraw/zinc/50/18/23/886501823.db2.gz DQPXXMQXDBZXHU-AVGNSLFASA-N 2 1 292.383 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001330609444 886501834 /nfs/dbraw/zinc/50/18/34/886501834.db2.gz DQPXXMQXDBZXHU-AVGNSLFASA-N 2 1 292.383 -0.946 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331630783 886872896 /nfs/dbraw/zinc/87/28/96/886872896.db2.gz JQFCRXRMFYVAES-QWHCGFSZSA-N 2 1 296.415 -0.323 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001332491243 887319884 /nfs/dbraw/zinc/31/98/84/887319884.db2.gz SCSNWKRGNKPFIM-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP CN1CC[N@H+](C)C[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001333636475 887729393 /nfs/dbraw/zinc/72/93/93/887729393.db2.gz UBXZAGRLMFRZNO-CQSZACIVSA-N 2 1 278.400 -0.649 20 30 CBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001333636475 887729405 /nfs/dbraw/zinc/72/94/05/887729405.db2.gz UBXZAGRLMFRZNO-CQSZACIVSA-N 2 1 278.400 -0.649 20 30 CBEDMP CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+](C)CC1 ZINC001341395537 889588700 /nfs/dbraw/zinc/58/87/00/889588700.db2.gz UKXJETDKGCRITA-UHFFFAOYSA-N 2 1 292.427 -0.305 20 30 CBEDMP C#CC[NH2+]CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001342359560 889762421 /nfs/dbraw/zinc/76/24/21/889762421.db2.gz UPMXFHIFGKYOFS-UHFFFAOYSA-N 2 1 274.328 -0.953 20 30 CBEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001346251010 890249827 /nfs/dbraw/zinc/24/98/27/890249827.db2.gz IUPGLZFTSSJBPI-HNNXBMFYSA-N 2 1 296.411 -0.034 20 30 CBEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001346276769 890255424 /nfs/dbraw/zinc/25/54/24/890255424.db2.gz RNRBNVSXNSMIQO-DGCLKSJQSA-N 2 1 255.362 -0.057 20 30 CBEDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001346276769 890255441 /nfs/dbraw/zinc/25/54/41/890255441.db2.gz RNRBNVSXNSMIQO-DGCLKSJQSA-N 2 1 255.362 -0.057 20 30 CBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001502581338 921372205 /nfs/dbraw/zinc/37/22/05/921372205.db2.gz YCBXHUCAXJUMOB-HIFRSBDPSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507487171 921849568 /nfs/dbraw/zinc/84/95/68/921849568.db2.gz HMVTZUIJPDTDBM-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507263638 921792769 /nfs/dbraw/zinc/79/27/69/921792769.db2.gz ARMLOWGKBUGUQO-ZIAGYGMSSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001479676850 916150051 /nfs/dbraw/zinc/15/00/51/916150051.db2.gz RYVKRMDLGXGMFZ-CQSZACIVSA-N 2 1 297.399 -0.643 20 30 CBEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001479676850 916150067 /nfs/dbraw/zinc/15/00/67/916150067.db2.gz RYVKRMDLGXGMFZ-CQSZACIVSA-N 2 1 297.399 -0.643 20 30 CBEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001479676850 916150087 /nfs/dbraw/zinc/15/00/87/916150087.db2.gz RYVKRMDLGXGMFZ-CQSZACIVSA-N 2 1 297.399 -0.643 20 30 CBEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001479676850 916150102 /nfs/dbraw/zinc/15/01/02/916150102.db2.gz RYVKRMDLGXGMFZ-CQSZACIVSA-N 2 1 297.399 -0.643 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001480597144 916487007 /nfs/dbraw/zinc/48/70/07/916487007.db2.gz ZOHZHIRCDNIBEG-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001480597144 916487016 /nfs/dbraw/zinc/48/70/16/916487016.db2.gz ZOHZHIRCDNIBEG-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481108730 916720652 /nfs/dbraw/zinc/72/06/52/916720652.db2.gz CSEYLSLEWHNMSF-ZDUSSCGKSA-N 2 1 296.415 -0.322 20 30 CBEDMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001481876999 917014048 /nfs/dbraw/zinc/01/40/48/917014048.db2.gz YQNSOMTYVCCGDJ-RYUDHWBXSA-N 2 1 295.387 -0.938 20 30 CBEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482587172 917166758 /nfs/dbraw/zinc/16/67/58/917166758.db2.gz AFDRAUDPGKZEIQ-LBPRGKRZSA-N 2 1 255.362 -0.107 20 30 CBEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001482587172 917166772 /nfs/dbraw/zinc/16/67/72/917166772.db2.gz AFDRAUDPGKZEIQ-LBPRGKRZSA-N 2 1 255.362 -0.107 20 30 CBEDMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482587172 917166777 /nfs/dbraw/zinc/16/67/77/917166777.db2.gz AFDRAUDPGKZEIQ-LBPRGKRZSA-N 2 1 255.362 -0.107 20 30 CBEDMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482587172 917166785 /nfs/dbraw/zinc/16/67/85/917166785.db2.gz AFDRAUDPGKZEIQ-LBPRGKRZSA-N 2 1 255.362 -0.107 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001482736401 917244957 /nfs/dbraw/zinc/24/49/57/917244957.db2.gz WTBFRNCIDVWTSA-CHWSQXEVSA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001482736403 917245087 /nfs/dbraw/zinc/24/50/87/917245087.db2.gz WTBFRNCIDVWTSA-QWHCGFSZSA-N 2 1 267.373 -0.439 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483266363 917499403 /nfs/dbraw/zinc/49/94/03/917499403.db2.gz JBTUGJYLQGRCNF-OLZOCXBDSA-N 2 1 296.415 -0.275 20 30 CBEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001484478564 917866838 /nfs/dbraw/zinc/86/68/38/917866838.db2.gz UQUHGWMFVNGBFL-GFCCVEGCSA-N 2 1 255.362 -0.323 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001484694814 917925914 /nfs/dbraw/zinc/92/59/14/917925914.db2.gz YHVMFIRMYGRAAO-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C[NH+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001484703956 917927530 /nfs/dbraw/zinc/92/75/30/917927530.db2.gz LULYIJCOULEJCH-AWEZNQCLSA-N 2 1 293.415 -0.320 20 30 CBEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485860470 918211614 /nfs/dbraw/zinc/21/16/14/918211614.db2.gz AYHHTKSDKPSPFC-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485860470 918211628 /nfs/dbraw/zinc/21/16/28/918211628.db2.gz AYHHTKSDKPSPFC-RYUDHWBXSA-N 2 1 255.362 -0.061 20 30 CBEDMP C=CC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001486004623 918299080 /nfs/dbraw/zinc/29/90/80/918299080.db2.gz OIWASCUJUXTHEU-NSHDSACASA-N 2 1 255.362 -0.277 20 30 CBEDMP C=CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053202 918344627 /nfs/dbraw/zinc/34/46/27/918344627.db2.gz WCCDCIDLMICYGT-VXGBXAGGSA-N 2 1 255.362 -0.419 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001486066322 918352583 /nfs/dbraw/zinc/35/25/83/918352583.db2.gz RXRJIQSLTICIPC-OAHLLOKOSA-N 2 1 289.379 -0.182 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001486066322 918352599 /nfs/dbraw/zinc/35/25/99/918352599.db2.gz RXRJIQSLTICIPC-OAHLLOKOSA-N 2 1 289.379 -0.182 20 30 CBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001486066606 918354506 /nfs/dbraw/zinc/35/45/06/918354506.db2.gz QZNCCDMHXSOZIU-ZDUSSCGKSA-N 2 1 285.388 -0.957 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001486067278 918354996 /nfs/dbraw/zinc/35/49/96/918354996.db2.gz XPTZGUCZXRRCIG-ZIAGYGMSSA-N 2 1 281.400 -0.049 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001486067275 918355760 /nfs/dbraw/zinc/35/57/60/918355760.db2.gz XPTZGUCZXRRCIG-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP CC#CC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001491609704 919228130 /nfs/dbraw/zinc/22/81/30/919228130.db2.gz FWYBZDGGRJUIFI-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493507290 919564652 /nfs/dbraw/zinc/56/46/52/919564652.db2.gz GCKMCWDOFCOBST-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493507290 919564660 /nfs/dbraw/zinc/56/46/60/919564660.db2.gz GCKMCWDOFCOBST-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793832 919620996 /nfs/dbraw/zinc/62/09/96/919620996.db2.gz NHFFZZLYSXJRQY-OLZOCXBDSA-N 2 1 296.415 -0.323 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001495906957 919985190 /nfs/dbraw/zinc/98/51/90/919985190.db2.gz MQFWIYPZHBTGPZ-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001495906957 919985203 /nfs/dbraw/zinc/98/52/03/919985203.db2.gz MQFWIYPZHBTGPZ-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=C)C ZINC001496999585 920200723 /nfs/dbraw/zinc/20/07/23/920200723.db2.gz VZLGXXNXDGPFSS-KGLIPLIRSA-N 2 1 279.384 -0.273 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=C)C ZINC001496999585 920200737 /nfs/dbraw/zinc/20/07/37/920200737.db2.gz VZLGXXNXDGPFSS-KGLIPLIRSA-N 2 1 279.384 -0.273 20 30 CBEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497798378 920390768 /nfs/dbraw/zinc/39/07/68/920390768.db2.gz DDWTVEFUZXEUFA-NEPJUHHUSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497798378 920390773 /nfs/dbraw/zinc/39/07/73/920390773.db2.gz DDWTVEFUZXEUFA-NEPJUHHUSA-N 2 1 255.362 -0.013 20 30 CBEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500762219 920876396 /nfs/dbraw/zinc/87/63/96/920876396.db2.gz DSGIJRZCFZCQQG-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500762219 920876407 /nfs/dbraw/zinc/87/64/07/920876407.db2.gz DSGIJRZCFZCQQG-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500762219 920876422 /nfs/dbraw/zinc/87/64/22/920876422.db2.gz DSGIJRZCFZCQQG-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001508140811 921916979 /nfs/dbraw/zinc/91/69/79/921916979.db2.gz OJGCHQXWNOUEPP-UHFFFAOYSA-N 2 1 279.384 -0.079 20 30 CBEDMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001520969003 922329248 /nfs/dbraw/zinc/32/92/48/922329248.db2.gz HRFNITHRRUOZPJ-QWHCGFSZSA-N 2 1 291.399 -0.521 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001521496603 922359852 /nfs/dbraw/zinc/35/98/52/922359852.db2.gz WMIZMESRIQSCOU-CYBMUJFWSA-N 2 1 265.357 -0.610 20 30 CBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000518375320 260389425 /nfs/dbraw/zinc/38/94/25/260389425.db2.gz QFUXUQJMMLSQKF-GJZGRUSLSA-N 2 1 298.431 -0.371 20 30 CBEDMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424143895 354211941 /nfs/dbraw/zinc/21/19/41/354211941.db2.gz KCCXYLHTUBUQDB-AGIUHOORSA-N 2 1 282.388 -0.079 20 30 CBEDMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424143895 354211944 /nfs/dbraw/zinc/21/19/44/354211944.db2.gz KCCXYLHTUBUQDB-AGIUHOORSA-N 2 1 282.388 -0.079 20 30 CBEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619021 354250779 /nfs/dbraw/zinc/25/07/79/354250779.db2.gz YPJCRMQFJARVSR-CYBMUJFWSA-N 2 1 294.399 -0.568 20 30 CBEDMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC000332659324 283086874 /nfs/dbraw/zinc/08/68/74/283086874.db2.gz AXNGAMURSGCMQU-UPJWGTAASA-N 2 1 280.372 -0.061 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000600726602 355563357 /nfs/dbraw/zinc/56/33/57/355563357.db2.gz IBVVKDGJOSAQDP-NSHDSACASA-N 2 1 286.376 -0.446 20 30 CBEDMP C=CCN1CC[C@@H]([N@H+](C)CCOCC[NH2+]C)C1=O ZINC000629572395 356781010 /nfs/dbraw/zinc/78/10/10/356781010.db2.gz RSDZAYOANMKIJO-GFCCVEGCSA-N 2 1 255.362 -0.059 20 30 CBEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236032 373778986 /nfs/dbraw/zinc/77/89/86/373778986.db2.gz RNKQGXFQCRDYLC-STQMWFEESA-N 2 1 294.399 -0.440 20 30 CBEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000261975501 220246353 /nfs/dbraw/zinc/24/63/53/220246353.db2.gz FWOODOVRZPTSPI-GFCCVEGCSA-N 2 1 270.377 -0.256 20 30 CBEDMP C#CCNC(=[NH+]C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261674962 220244193 /nfs/dbraw/zinc/24/41/93/220244193.db2.gz HAUNYZDWAWOSPD-ZDUSSCGKSA-N 2 1 264.373 -0.151 20 30 CBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCO[C@H](COC)C1 ZINC000262018875 220247571 /nfs/dbraw/zinc/24/75/71/220247571.db2.gz VXTQWEZSPQCOPW-STQMWFEESA-N 2 1 284.404 -0.139 20 30 CBEDMP C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262348655 220249150 /nfs/dbraw/zinc/24/91/50/220249150.db2.gz YKVNZYGAPNHUJT-JTQLQIEISA-N 2 1 267.377 -0.524 20 30 CBEDMP C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262348655 220249154 /nfs/dbraw/zinc/24/91/54/220249154.db2.gz YKVNZYGAPNHUJT-JTQLQIEISA-N 2 1 267.377 -0.524 20 30 CBEDMP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@H]1CCC[N@H+]1C ZINC000262452007 220251827 /nfs/dbraw/zinc/25/18/27/220251827.db2.gz UUDACHLRDLCBPW-CHWSQXEVSA-N 2 1 294.403 -0.287 20 30 CBEDMP C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262773486 220257149 /nfs/dbraw/zinc/25/71/49/220257149.db2.gz KHZQUQAEMNXEQR-DGCLKSJQSA-N 2 1 282.388 -0.197 20 30 CBEDMP C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262773486 220257154 /nfs/dbraw/zinc/25/71/54/220257154.db2.gz KHZQUQAEMNXEQR-DGCLKSJQSA-N 2 1 282.388 -0.197 20 30 CBEDMP NC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264100187 220263337 /nfs/dbraw/zinc/26/33/37/220263337.db2.gz NWSKUIINTZERLC-UHFFFAOYSA-N 2 1 262.361 -0.133 20 30 CBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[NH+](C)C)CC1 ZINC000331079669 220371678 /nfs/dbraw/zinc/37/16/78/220371678.db2.gz XCGADWIHDPIYHL-UHFFFAOYSA-N 2 1 299.419 -0.396 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000491393906 420311915 /nfs/dbraw/zinc/31/19/15/420311915.db2.gz JWCDPJLFVYRYFW-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000491393906 420311920 /nfs/dbraw/zinc/31/19/20/420311920.db2.gz JWCDPJLFVYRYFW-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000491393906 420311923 /nfs/dbraw/zinc/31/19/23/420311923.db2.gz JWCDPJLFVYRYFW-CQSZACIVSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000394255241 260244696 /nfs/dbraw/zinc/24/46/96/260244696.db2.gz FKUSWINRMRJTIJ-CQSZACIVSA-N 2 1 269.389 -0.776 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000394255241 260244697 /nfs/dbraw/zinc/24/46/97/260244697.db2.gz FKUSWINRMRJTIJ-CQSZACIVSA-N 2 1 269.389 -0.776 20 30 CBEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC000580314242 327781454 /nfs/dbraw/zinc/78/14/54/327781454.db2.gz HTVFFOWGXNKRGJ-UHFFFAOYSA-N 2 1 254.334 -0.189 20 30 CBEDMP C#CCN1CCN(C(=O)CN2CCC[C@@](C)(O)C2)CC1 ZINC000124091308 328021530 /nfs/dbraw/zinc/02/15/30/328021530.db2.gz VJFJBUFFBQAEPN-OAHLLOKOSA-N 2 1 279.384 -0.389 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](CCO)[C@@H](C)CC)CC1 ZINC000491144234 332155840 /nfs/dbraw/zinc/15/58/40/332155840.db2.gz HSRJLTQNBGSSSU-AWEZNQCLSA-N 2 1 281.400 -0.143 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H]2CCOC2)CC1 ZINC000491407725 332206723 /nfs/dbraw/zinc/20/67/23/332206723.db2.gz SJIUXJUTBVKNFE-ZDUSSCGKSA-N 2 1 265.357 -0.516 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@H]2CCOC2)CC1 ZINC000491407725 332206724 /nfs/dbraw/zinc/20/67/24/332206724.db2.gz SJIUXJUTBVKNFE-ZDUSSCGKSA-N 2 1 265.357 -0.516 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000491644729 332262747 /nfs/dbraw/zinc/26/27/47/332262747.db2.gz LFSPKXIPEMDMEH-UHFFFAOYSA-N 2 1 296.415 -0.037 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000491644729 332262748 /nfs/dbraw/zinc/26/27/48/332262748.db2.gz LFSPKXIPEMDMEH-UHFFFAOYSA-N 2 1 296.415 -0.037 20 30 CBEDMP C#CCNC(=O)CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000491767645 332335324 /nfs/dbraw/zinc/33/53/24/332335324.db2.gz JFCQNYUAXBEDST-AWEZNQCLSA-N 2 1 281.400 -0.048 20 30 CBEDMP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000491784463 332347531 /nfs/dbraw/zinc/34/75/31/332347531.db2.gz POCZOCPOXNFILX-ZDUSSCGKSA-N 2 1 294.399 -0.697 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000491802190 332356454 /nfs/dbraw/zinc/35/64/54/332356454.db2.gz FQVILHKWQPGULJ-UHFFFAOYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CCNC(=O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000491802190 332356456 /nfs/dbraw/zinc/35/64/56/332356456.db2.gz FQVILHKWQPGULJ-UHFFFAOYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000567875697 334770965 /nfs/dbraw/zinc/77/09/65/334770965.db2.gz JHLVNOAXQXPIOZ-QWHCGFSZSA-N 2 1 279.340 -0.532 20 30 CBEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N1CCOCC1 ZINC000104173040 582113102 /nfs/dbraw/zinc/11/31/02/582113102.db2.gz NEKOBHVYUVELML-UHFFFAOYSA-N 2 1 258.366 -0.398 20 30 CBEDMP C[NH+]1CCN(c2ncc(C=NNC(N)=[NH2+])cn2)CC1 ZINC000755634377 582301934 /nfs/dbraw/zinc/30/19/34/582301934.db2.gz REZDULGCFRIFMU-UHFFFAOYSA-N 2 1 262.321 -0.955 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000840484939 583165533 /nfs/dbraw/zinc/16/55/33/583165533.db2.gz VRVKRYGSYHKYGW-UHFFFAOYSA-N 2 1 299.415 -0.090 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000841909785 583176626 /nfs/dbraw/zinc/17/66/26/583176626.db2.gz HUOXVUSHCGTTBL-OLZOCXBDSA-N 2 1 282.388 -0.301 20 30 CBEDMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843460600 583221979 /nfs/dbraw/zinc/22/19/79/583221979.db2.gz HXJDMVVEIFDGMB-GAFUQQFSSA-N 2 1 274.324 -0.077 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](C[C@@H](C)O)C2CC2)CC1 ZINC000847103150 583398231 /nfs/dbraw/zinc/39/82/31/583398231.db2.gz ZRCUPOALQVOVPW-CYBMUJFWSA-N 2 1 279.384 -0.391 20 30 CBEDMP C#CCN1CCN(C(=O)CN(C[C@@H](C)O)C2CC2)CC1 ZINC000847103150 583398234 /nfs/dbraw/zinc/39/82/34/583398234.db2.gz ZRCUPOALQVOVPW-CYBMUJFWSA-N 2 1 279.384 -0.391 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[NH+](C)C ZINC000848996652 583465317 /nfs/dbraw/zinc/46/53/17/583465317.db2.gz NGMAJOYCIQVNHE-GFCCVEGCSA-N 2 1 271.409 -0.566 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)N1 ZINC000849001319 583466428 /nfs/dbraw/zinc/46/64/28/583466428.db2.gz PJRMCLWMFKOHEE-NEPJUHHUSA-N 2 1 281.404 -0.134 20 30 CBEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC1=[NH+]CCN1C ZINC000849001312 583466470 /nfs/dbraw/zinc/46/64/70/583466470.db2.gz PELNSEUUBJGMFW-GFCCVEGCSA-N 2 1 281.404 -0.180 20 30 CBEDMP COCC[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852867329 583564218 /nfs/dbraw/zinc/56/42/18/583564218.db2.gz ULERBPCQHPKNAI-AWEZNQCLSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000861634315 583773722 /nfs/dbraw/zinc/77/37/22/583773722.db2.gz FBASNYOVEYWVPE-UHFFFAOYSA-N 2 1 282.388 -0.251 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861634991 583773766 /nfs/dbraw/zinc/77/37/66/583773766.db2.gz WQESJSPEESSAHE-GFCCVEGCSA-N 2 1 268.361 -0.771 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000863832266 583858906 /nfs/dbraw/zinc/85/89/06/583858906.db2.gz WTBWTIAAXGNQPE-AWEZNQCLSA-N 2 1 279.384 -0.486 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707785 583927831 /nfs/dbraw/zinc/92/78/31/583927831.db2.gz KBOAKKQOOLDMHN-TUAOUCFPSA-N 2 1 294.355 -0.845 20 30 CBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707785 583927832 /nfs/dbraw/zinc/92/78/32/583927832.db2.gz KBOAKKQOOLDMHN-TUAOUCFPSA-N 2 1 294.355 -0.845 20 30 CBEDMP C#CC[N@H+](C)CCCNCc1cn(CC(=O)OC)nn1 ZINC000883131297 584337868 /nfs/dbraw/zinc/33/78/68/584337868.db2.gz VATKSVZNINUSNE-UHFFFAOYSA-N 2 1 279.344 -0.504 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000890368475 584549041 /nfs/dbraw/zinc/54/90/41/584549041.db2.gz IYJIESVPLYYWJD-HIFRSBDPSA-N 2 1 296.415 -0.304 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000890368475 584549044 /nfs/dbraw/zinc/54/90/44/584549044.db2.gz IYJIESVPLYYWJD-HIFRSBDPSA-N 2 1 296.415 -0.304 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000890366781 584549196 /nfs/dbraw/zinc/54/91/96/584549196.db2.gz DPWKYUJODCTFMG-HIFRSBDPSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000890366781 584549198 /nfs/dbraw/zinc/54/91/98/584549198.db2.gz DPWKYUJODCTFMG-HIFRSBDPSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000890366781 584549199 /nfs/dbraw/zinc/54/91/99/584549199.db2.gz DPWKYUJODCTFMG-HIFRSBDPSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000890366781 584549201 /nfs/dbraw/zinc/54/92/01/584549201.db2.gz DPWKYUJODCTFMG-HIFRSBDPSA-N 2 1 294.399 -0.550 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCO)CC1 ZINC000899731784 584776503 /nfs/dbraw/zinc/77/65/03/584776503.db2.gz KIWMPLKGSZKUEY-UHFFFAOYSA-N 2 1 267.373 -0.628 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900812332 584828853 /nfs/dbraw/zinc/82/88/53/584828853.db2.gz VDZWFWZQSHIHSP-QWHCGFSZSA-N 2 1 268.405 -0.145 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373544 613039551 /nfs/dbraw/zinc/03/95/51/613039551.db2.gz HFZFIPZGKXXOKX-CABCVRRESA-N 2 1 293.411 -0.240 20 30 CBEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000980446909 613093013 /nfs/dbraw/zinc/09/30/13/613093013.db2.gz AZWGSRMZBQBTLI-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000980446909 613093015 /nfs/dbraw/zinc/09/30/15/613093015.db2.gz AZWGSRMZBQBTLI-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980446909 613093016 /nfs/dbraw/zinc/09/30/16/613093016.db2.gz AZWGSRMZBQBTLI-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980446909 613093017 /nfs/dbraw/zinc/09/30/17/613093017.db2.gz AZWGSRMZBQBTLI-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCO)C1 ZINC000969864812 613200868 /nfs/dbraw/zinc/20/08/68/613200868.db2.gz FVIZXEPIJZAFSO-ZFWWWQNUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCO)C1 ZINC000969864812 613200869 /nfs/dbraw/zinc/20/08/69/613200869.db2.gz FVIZXEPIJZAFSO-ZFWWWQNUSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214403 613301793 /nfs/dbraw/zinc/30/17/93/613301793.db2.gz HDGYHOWCRNOKIJ-KGLIPLIRSA-N 2 1 291.395 -0.343 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373242 613302265 /nfs/dbraw/zinc/30/22/65/613302265.db2.gz DSETUSYEFBSFKA-KGLIPLIRSA-N 2 1 279.384 -0.630 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979071019 613309197 /nfs/dbraw/zinc/30/91/97/613309197.db2.gz KBNABFHUXNGTEI-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979071019 613309199 /nfs/dbraw/zinc/30/91/99/613309199.db2.gz KBNABFHUXNGTEI-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979071019 613309201 /nfs/dbraw/zinc/30/92/01/613309201.db2.gz KBNABFHUXNGTEI-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979071019 613309203 /nfs/dbraw/zinc/30/92/03/613309203.db2.gz KBNABFHUXNGTEI-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962299017 613312867 /nfs/dbraw/zinc/31/28/67/613312867.db2.gz QFTAWBKKMFOJGL-ITGUQSILSA-N 2 1 259.353 -0.238 20 30 CBEDMP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591448 613829900 /nfs/dbraw/zinc/82/99/00/613829900.db2.gz GZDBTLHTOQXGPD-OLZOCXBDSA-N 2 1 279.384 -0.323 20 30 CBEDMP C#CCN1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000923572941 658333733 /nfs/dbraw/zinc/33/37/33/658333733.db2.gz HUFIVXXFICOLJY-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCN1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000923572941 658333747 /nfs/dbraw/zinc/33/37/47/658333747.db2.gz HUFIVXXFICOLJY-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP CCCCNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912687 656083085 /nfs/dbraw/zinc/08/30/85/656083085.db2.gz RVOOCDQSMGDIGN-UHFFFAOYSA-N 2 1 269.393 -0.145 20 30 CBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262506266 656132735 /nfs/dbraw/zinc/13/27/35/656132735.db2.gz BJTWWMFUTRLXSU-NSHDSACASA-N 2 1 271.434 -0.404 20 30 CBEDMP C[C@@H](CNC(=[NH2+])NC1CC1)CN1CC[NH+](C)CC1 ZINC000303376512 656138775 /nfs/dbraw/zinc/13/87/75/656138775.db2.gz OMWCWYOIVSIZRI-NSHDSACASA-N 2 1 253.394 -0.063 20 30 CBEDMP CC(C)NC(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303788165 656139475 /nfs/dbraw/zinc/13/94/75/656139475.db2.gz UABSUIGGAGEHKJ-UHFFFAOYSA-N 2 1 299.419 -0.472 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303880952 656139632 /nfs/dbraw/zinc/13/96/32/656139632.db2.gz KKSIKSBGFZPLCN-OLZOCXBDSA-N 2 1 285.436 -0.191 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303880955 656139711 /nfs/dbraw/zinc/13/97/11/656139711.db2.gz KKSIKSBGFZPLCN-STQMWFEESA-N 2 1 285.436 -0.191 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304685419 656140892 /nfs/dbraw/zinc/14/08/92/656140892.db2.gz GAVBGXWSMXVXNS-AWEZNQCLSA-N 2 1 297.447 -0.175 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000305076246 656141623 /nfs/dbraw/zinc/14/16/23/656141623.db2.gz LCMFFAURFOCUEU-WOPDTQHZSA-N 2 1 297.403 -0.592 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905276098 656347940 /nfs/dbraw/zinc/34/79/40/656347940.db2.gz VWPHYPVSRPFZEM-ZDUSSCGKSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905276098 656347941 /nfs/dbraw/zinc/34/79/41/656347941.db2.gz VWPHYPVSRPFZEM-ZDUSSCGKSA-N 2 1 270.373 -0.567 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997336763 656473472 /nfs/dbraw/zinc/47/34/72/656473472.db2.gz RKBBVTQHPZLBMA-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997336763 656473474 /nfs/dbraw/zinc/47/34/74/656473474.db2.gz RKBBVTQHPZLBMA-AWEZNQCLSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908436320 656727450 /nfs/dbraw/zinc/72/74/50/656727450.db2.gz PCZOWFCQPLWJNX-OCCSQVGLSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001000966181 656780676 /nfs/dbraw/zinc/78/06/76/656780676.db2.gz DLCOZEBVFBAGOK-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001000966181 656780685 /nfs/dbraw/zinc/78/06/85/656780685.db2.gz DLCOZEBVFBAGOK-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001280449 656806820 /nfs/dbraw/zinc/80/68/20/656806820.db2.gz YBRQXMSABMSKPH-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001280449 656806823 /nfs/dbraw/zinc/80/68/23/656806823.db2.gz YBRQXMSABMSKPH-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014922195 657391705 /nfs/dbraw/zinc/39/17/05/657391705.db2.gz AOFXSOLUTSYREM-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014922195 657391710 /nfs/dbraw/zinc/39/17/10/657391710.db2.gz AOFXSOLUTSYREM-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922195 657391714 /nfs/dbraw/zinc/39/17/14/657391714.db2.gz AOFXSOLUTSYREM-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922195 657391717 /nfs/dbraw/zinc/39/17/17/657391717.db2.gz AOFXSOLUTSYREM-MGPQQGTHSA-N 2 1 279.384 -0.081 20 30 CBEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913518807 657484250 /nfs/dbraw/zinc/48/42/50/657484250.db2.gz BIDMGZSKOIBUFA-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP CC[N@H+]1CCO[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913518807 657484260 /nfs/dbraw/zinc/48/42/60/657484260.db2.gz BIDMGZSKOIBUFA-LBPRGKRZSA-N 2 1 253.346 -0.612 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016306163 657684467 /nfs/dbraw/zinc/68/44/67/657684467.db2.gz NSGWXQRELALJSI-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016306163 657684434 /nfs/dbraw/zinc/68/44/34/657684434.db2.gz NSGWXQRELALJSI-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016306163 657684446 /nfs/dbraw/zinc/68/44/46/657684446.db2.gz NSGWXQRELALJSI-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016306163 657684458 /nfs/dbraw/zinc/68/44/58/657684458.db2.gz NSGWXQRELALJSI-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001019285891 657880794 /nfs/dbraw/zinc/88/07/94/657880794.db2.gz YABJWCAYQICDMZ-KBPBESRZSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001019285891 657880798 /nfs/dbraw/zinc/88/07/98/657880798.db2.gz YABJWCAYQICDMZ-KBPBESRZSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001019800640 657942580 /nfs/dbraw/zinc/94/25/80/657942580.db2.gz SKZDSLPHRREIHB-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800640 657942603 /nfs/dbraw/zinc/94/26/03/657942603.db2.gz SKZDSLPHRREIHB-STQMWFEESA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020405981 658046845 /nfs/dbraw/zinc/04/68/45/658046845.db2.gz HJHKTZIGBQXSQX-JGNFHWBKSA-N 2 1 289.379 -0.280 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000922629352 658065130 /nfs/dbraw/zinc/06/51/30/658065130.db2.gz JEJJIUXWNNHAIB-LBPRGKRZSA-N 2 1 252.362 -0.055 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000922629352 658065140 /nfs/dbraw/zinc/06/51/40/658065140.db2.gz JEJJIUXWNNHAIB-LBPRGKRZSA-N 2 1 252.362 -0.055 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000922629352 658065112 /nfs/dbraw/zinc/06/51/12/658065112.db2.gz JEJJIUXWNNHAIB-LBPRGKRZSA-N 2 1 252.362 -0.055 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513921 658310614 /nfs/dbraw/zinc/31/06/14/658310614.db2.gz FGNFJRJQOOBWKY-GMTAPVOTSA-N 2 1 268.361 -0.087 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513921 658310622 /nfs/dbraw/zinc/31/06/22/658310622.db2.gz FGNFJRJQOOBWKY-GMTAPVOTSA-N 2 1 268.361 -0.087 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518301 658313641 /nfs/dbraw/zinc/31/36/41/658313641.db2.gz KPISEFBALXFEMR-SDDRHHMPSA-N 2 1 280.372 -0.072 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518301 658313659 /nfs/dbraw/zinc/31/36/59/658313659.db2.gz KPISEFBALXFEMR-SDDRHHMPSA-N 2 1 280.372 -0.072 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000928655099 659060214 /nfs/dbraw/zinc/06/02/14/659060214.db2.gz RASMFQKLSSTHIS-OAHLLOKOSA-N 2 1 290.411 -0.410 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000928655795 659060489 /nfs/dbraw/zinc/06/04/89/659060489.db2.gz ZBMIZUDOKPPUMW-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000928655795 659060491 /nfs/dbraw/zinc/06/04/91/659060491.db2.gz ZBMIZUDOKPPUMW-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995591330 659905046 /nfs/dbraw/zinc/90/50/46/659905046.db2.gz TZSLRJDNECYIOO-OLZOCXBDSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995591330 659905054 /nfs/dbraw/zinc/90/50/54/659905054.db2.gz TZSLRJDNECYIOO-OLZOCXBDSA-N 2 1 279.384 -0.223 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723672030 790801759 /nfs/dbraw/zinc/80/17/59/790801759.db2.gz IVPJESWRPDWWNL-SNVBAGLBSA-N 2 1 254.334 -0.331 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900578 790802637 /nfs/dbraw/zinc/80/26/37/790802637.db2.gz KHFQAUVEEJNWIU-GHMZBOCLSA-N 2 1 268.361 -0.085 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077028803 805673628 /nfs/dbraw/zinc/67/36/28/805673628.db2.gz KSQOKQKOSRYVTF-GBJTYRQASA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077028803 805673630 /nfs/dbraw/zinc/67/36/30/805673630.db2.gz KSQOKQKOSRYVTF-GBJTYRQASA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077028803 805673633 /nfs/dbraw/zinc/67/36/33/805673633.db2.gz KSQOKQKOSRYVTF-GBJTYRQASA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077028803 805673635 /nfs/dbraw/zinc/67/36/35/805673635.db2.gz KSQOKQKOSRYVTF-GBJTYRQASA-N 2 1 293.411 -0.099 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392634 805724842 /nfs/dbraw/zinc/72/48/42/805724842.db2.gz JZJCELWWNOZONU-CHWSQXEVSA-N 2 1 278.356 -0.071 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392634 805724849 /nfs/dbraw/zinc/72/48/49/805724849.db2.gz JZJCELWWNOZONU-CHWSQXEVSA-N 2 1 278.356 -0.071 20 30 CBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077571526 805750149 /nfs/dbraw/zinc/75/01/49/805750149.db2.gz PCQINYOLKWIMIY-BYNSBNAKSA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571526 805750158 /nfs/dbraw/zinc/75/01/58/805750158.db2.gz PCQINYOLKWIMIY-BYNSBNAKSA-N 2 1 293.411 -0.099 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571526 805750163 /nfs/dbraw/zinc/75/01/63/805750163.db2.gz PCQINYOLKWIMIY-BYNSBNAKSA-N 2 1 293.411 -0.099 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175821 805850624 /nfs/dbraw/zinc/85/06/24/805850624.db2.gz OAXFSFQAAKRJDS-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175821 805850634 /nfs/dbraw/zinc/85/06/34/805850634.db2.gz OAXFSFQAAKRJDS-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175821 805850637 /nfs/dbraw/zinc/85/06/37/805850637.db2.gz OAXFSFQAAKRJDS-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175821 805850648 /nfs/dbraw/zinc/85/06/48/805850648.db2.gz OAXFSFQAAKRJDS-JHJVBQTASA-N 2 1 265.357 -0.877 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328584 806163363 /nfs/dbraw/zinc/16/33/63/806163363.db2.gz AUXUDIMIACVDNU-ZIAGYGMSSA-N 2 1 291.395 -0.079 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328584 806163370 /nfs/dbraw/zinc/16/33/70/806163370.db2.gz AUXUDIMIACVDNU-ZIAGYGMSSA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274802 806244716 /nfs/dbraw/zinc/24/47/16/806244716.db2.gz AFALNRZZADVJTM-QLFBSQMISA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274802 806244718 /nfs/dbraw/zinc/24/47/18/806244718.db2.gz AFALNRZZADVJTM-QLFBSQMISA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274802 806244727 /nfs/dbraw/zinc/24/47/27/806244727.db2.gz AFALNRZZADVJTM-QLFBSQMISA-N 2 1 291.395 -0.127 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372854 806288719 /nfs/dbraw/zinc/28/87/19/806288719.db2.gz IJNMYCPYKTUDBU-UPJWGTAASA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372854 806288722 /nfs/dbraw/zinc/28/87/22/806288722.db2.gz IJNMYCPYKTUDBU-UPJWGTAASA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372854 806288727 /nfs/dbraw/zinc/28/87/27/806288727.db2.gz IJNMYCPYKTUDBU-UPJWGTAASA-N 2 1 267.373 -0.182 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372854 806288728 /nfs/dbraw/zinc/28/87/28/806288728.db2.gz IJNMYCPYKTUDBU-UPJWGTAASA-N 2 1 267.373 -0.182 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466376 806335061 /nfs/dbraw/zinc/33/50/61/806335061.db2.gz RFRJRQYSOPAUHG-ZNMIVQPWSA-N 2 1 291.395 -0.487 20 30 CBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645103 806390142 /nfs/dbraw/zinc/39/01/42/806390142.db2.gz LDBFUFUSHMRYKO-OLZOCXBDSA-N 2 1 276.340 -0.624 20 30 CBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645103 806390152 /nfs/dbraw/zinc/39/01/52/806390152.db2.gz LDBFUFUSHMRYKO-OLZOCXBDSA-N 2 1 276.340 -0.624 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083952336 806468783 /nfs/dbraw/zinc/46/87/83/806468783.db2.gz HOZMPCIKDAWCDX-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083952336 806468787 /nfs/dbraw/zinc/46/87/87/806468787.db2.gz HOZMPCIKDAWCDX-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083952336 806468793 /nfs/dbraw/zinc/46/87/93/806468793.db2.gz HOZMPCIKDAWCDX-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083952336 806468797 /nfs/dbraw/zinc/46/87/97/806468797.db2.gz HOZMPCIKDAWCDX-UPJWGTAASA-N 2 1 267.373 -0.325 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C)C[C@@H]2O)CC1 ZINC001084089338 806486030 /nfs/dbraw/zinc/48/60/30/806486030.db2.gz DVSYOSXMILMFNO-CABCVRRESA-N 2 1 291.395 -0.321 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C)C[C@@H]2O)CC1 ZINC001084089338 806486034 /nfs/dbraw/zinc/48/60/34/806486034.db2.gz DVSYOSXMILMFNO-CABCVRRESA-N 2 1 291.395 -0.321 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028464868 799140695 /nfs/dbraw/zinc/14/06/95/799140695.db2.gz GMWIJQVDPSKDTJ-CHWSQXEVSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028464868 799140692 /nfs/dbraw/zinc/14/06/92/799140692.db2.gz GMWIJQVDPSKDTJ-CHWSQXEVSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028464868 799140697 /nfs/dbraw/zinc/14/06/97/799140697.db2.gz GMWIJQVDPSKDTJ-CHWSQXEVSA-N 2 1 265.357 -0.612 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028464868 799140699 /nfs/dbraw/zinc/14/06/99/799140699.db2.gz GMWIJQVDPSKDTJ-CHWSQXEVSA-N 2 1 265.357 -0.612 20 30 CBEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689324 799534130 /nfs/dbraw/zinc/53/41/30/799534130.db2.gz SPFPWSOGSHZTEW-LSDHHAIUSA-N 2 1 291.395 -0.079 20 30 CBEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689324 799534133 /nfs/dbraw/zinc/53/41/33/799534133.db2.gz SPFPWSOGSHZTEW-LSDHHAIUSA-N 2 1 291.395 -0.079 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031859069 799552629 /nfs/dbraw/zinc/55/26/29/799552629.db2.gz MKDUPTRKUGBLCZ-UGWHAMFMSA-N 2 1 289.379 -0.469 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031859069 799552635 /nfs/dbraw/zinc/55/26/35/799552635.db2.gz MKDUPTRKUGBLCZ-UGWHAMFMSA-N 2 1 289.379 -0.469 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032201999 799593857 /nfs/dbraw/zinc/59/38/57/799593857.db2.gz MMQIRVMUNCGJEU-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032201999 799593860 /nfs/dbraw/zinc/59/38/60/799593860.db2.gz MMQIRVMUNCGJEU-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001033684616 799781304 /nfs/dbraw/zinc/78/13/04/799781304.db2.gz PBHCKNOVRCCYMD-HNNXBMFYSA-N 2 1 293.411 -0.143 20 30 CBEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325866 799890774 /nfs/dbraw/zinc/89/07/74/799890774.db2.gz DLJAWXASIAQJTE-KGLIPLIRSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325866 799890780 /nfs/dbraw/zinc/89/07/80/799890780.db2.gz DLJAWXASIAQJTE-KGLIPLIRSA-N 2 1 297.399 -0.290 20 30 CBEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579173 799947359 /nfs/dbraw/zinc/94/73/59/799947359.db2.gz DKZFCBXHEIAIJZ-AWEZNQCLSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579173 799947370 /nfs/dbraw/zinc/94/73/70/799947370.db2.gz DKZFCBXHEIAIJZ-AWEZNQCLSA-N 2 1 291.395 -0.078 20 30 CBEDMP C#CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038396644 800104140 /nfs/dbraw/zinc/10/41/40/800104140.db2.gz SVQXBDGHBHNTIT-JHJVBQTASA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047386494 801859743 /nfs/dbraw/zinc/85/97/43/801859743.db2.gz WVMNYEATCGCQFC-MQYQWHSLSA-N 2 1 279.384 -0.537 20 30 CBEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047386494 801859749 /nfs/dbraw/zinc/85/97/49/801859749.db2.gz WVMNYEATCGCQFC-MQYQWHSLSA-N 2 1 279.384 -0.537 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386494 801859755 /nfs/dbraw/zinc/85/97/55/801859755.db2.gz WVMNYEATCGCQFC-MQYQWHSLSA-N 2 1 279.384 -0.537 20 30 CBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386494 801859762 /nfs/dbraw/zinc/85/97/62/801859762.db2.gz WVMNYEATCGCQFC-MQYQWHSLSA-N 2 1 279.384 -0.537 20 30 CBEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001047528824 801893331 /nfs/dbraw/zinc/89/33/31/801893331.db2.gz DFBMDNDPEFFDFC-IHRRRGAJSA-N 2 1 279.384 -0.535 20 30 CBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047596692 801908893 /nfs/dbraw/zinc/90/88/93/801908893.db2.gz XEGQDZUOSCOPCS-KKUMJFAQSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047596692 801908897 /nfs/dbraw/zinc/90/88/97/801908897.db2.gz XEGQDZUOSCOPCS-KKUMJFAQSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047596692 801908902 /nfs/dbraw/zinc/90/89/02/801908902.db2.gz XEGQDZUOSCOPCS-KKUMJFAQSA-N 2 1 293.411 -0.145 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213320 802005843 /nfs/dbraw/zinc/00/58/43/802005843.db2.gz MLUOEEJBXVBIRB-MCIONIFRSA-N 2 1 261.369 -0.039 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213320 802005845 /nfs/dbraw/zinc/00/58/45/802005845.db2.gz MLUOEEJBXVBIRB-MCIONIFRSA-N 2 1 261.369 -0.039 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213329 802006109 /nfs/dbraw/zinc/00/61/09/802006109.db2.gz MLUOEEJBXVBIRB-MELADBBJSA-N 2 1 261.369 -0.039 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213329 802006117 /nfs/dbraw/zinc/00/61/17/802006117.db2.gz MLUOEEJBXVBIRB-MELADBBJSA-N 2 1 261.369 -0.039 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987468 810985143 /nfs/dbraw/zinc/98/51/43/810985143.db2.gz ZZKVPARNJZPUFZ-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987468 810985146 /nfs/dbraw/zinc/98/51/46/810985146.db2.gz ZZKVPARNJZPUFZ-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834108 814304710 /nfs/dbraw/zinc/30/47/10/814304710.db2.gz OFJKCFXRCPFGTF-CHWSQXEVSA-N 2 1 294.399 -0.686 20 30 CBEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148570396 814950577 /nfs/dbraw/zinc/95/05/77/814950577.db2.gz CQQQNHARBJKYPH-UHFFFAOYSA-N 2 1 283.376 -0.936 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148655613 814956006 /nfs/dbraw/zinc/95/60/06/814956006.db2.gz PNWAHFMHCJZVGH-GFCCVEGCSA-N 2 1 282.388 -0.828 20 30 CBEDMP CC#CC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001322023427 803852462 /nfs/dbraw/zinc/85/24/62/803852462.db2.gz ILHFLKRDQXHGES-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001322181949 803872557 /nfs/dbraw/zinc/87/25/57/803872557.db2.gz BTGLQNXMZZYAAD-VXGBXAGGSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001322181949 803872565 /nfs/dbraw/zinc/87/25/65/803872565.db2.gz BTGLQNXMZZYAAD-VXGBXAGGSA-N 2 1 297.403 -0.597 20 30 CBEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001325154784 804249562 /nfs/dbraw/zinc/24/95/62/804249562.db2.gz WFLLSEWIIFEHLP-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001325154784 804249572 /nfs/dbraw/zinc/24/95/72/804249572.db2.gz WFLLSEWIIFEHLP-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001325154784 804249577 /nfs/dbraw/zinc/24/95/77/804249577.db2.gz WFLLSEWIIFEHLP-HNNXBMFYSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590138 815036533 /nfs/dbraw/zinc/03/65/33/815036533.db2.gz ZUWFGMIBHQRPEV-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590138 815036540 /nfs/dbraw/zinc/03/65/40/815036540.db2.gz ZUWFGMIBHQRPEV-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151115456 815061589 /nfs/dbraw/zinc/06/15/89/815061589.db2.gz XSIMYVYJYKFRAC-UHFFFAOYSA-N 2 1 264.329 -0.453 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152427199 815121019 /nfs/dbraw/zinc/12/10/19/815121019.db2.gz UOHXXBSMTVGPFW-UHFFFAOYSA-N 2 1 255.362 -0.318 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152446332 815122730 /nfs/dbraw/zinc/12/27/30/815122730.db2.gz XRNVQMDFXJWZRZ-LBPRGKRZSA-N 2 1 284.404 -0.277 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155822368 815315046 /nfs/dbraw/zinc/31/50/46/815315046.db2.gz OTJXYYCAQQLGEO-STQMWFEESA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433060 810497533 /nfs/dbraw/zinc/49/75/33/810497533.db2.gz ODWDCDFEYINZAU-KBPBESRZSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433060 810497540 /nfs/dbraw/zinc/49/75/40/810497540.db2.gz ODWDCDFEYINZAU-KBPBESRZSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090619961 810531212 /nfs/dbraw/zinc/53/12/12/810531212.db2.gz BGMCXBKCDSUSSQ-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090619961 810531216 /nfs/dbraw/zinc/53/12/16/810531216.db2.gz BGMCXBKCDSUSSQ-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731626 810560456 /nfs/dbraw/zinc/56/04/56/810560456.db2.gz UBPCEWANPHWWIP-ZIAGYGMSSA-N 2 1 291.395 -0.343 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729998 810560591 /nfs/dbraw/zinc/56/05/91/810560591.db2.gz DIABUFUEWUCCPV-KGLIPLIRSA-N 2 1 291.395 -0.343 20 30 CBEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090815076 810570305 /nfs/dbraw/zinc/57/03/05/810570305.db2.gz MIDZRXDHMQPJCR-OLZOCXBDSA-N 2 1 267.373 -0.180 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099876332 810959599 /nfs/dbraw/zinc/95/95/99/810959599.db2.gz BTYIISCGZKCCSY-KBPBESRZSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099876332 810959609 /nfs/dbraw/zinc/95/96/09/810959609.db2.gz BTYIISCGZKCCSY-KBPBESRZSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099876332 810959616 /nfs/dbraw/zinc/95/96/16/810959616.db2.gz BTYIISCGZKCCSY-KBPBESRZSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099876332 810959625 /nfs/dbraw/zinc/95/96/25/810959625.db2.gz BTYIISCGZKCCSY-KBPBESRZSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099898859 810963681 /nfs/dbraw/zinc/96/36/81/810963681.db2.gz IYCYPZJUSVQSKO-QWHCGFSZSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099898859 810963684 /nfs/dbraw/zinc/96/36/84/810963684.db2.gz IYCYPZJUSVQSKO-QWHCGFSZSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898859 810963688 /nfs/dbraw/zinc/96/36/88/810963688.db2.gz IYCYPZJUSVQSKO-QWHCGFSZSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898859 810963694 /nfs/dbraw/zinc/96/36/94/810963694.db2.gz IYCYPZJUSVQSKO-QWHCGFSZSA-N 2 1 281.400 -0.099 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973470 810981370 /nfs/dbraw/zinc/98/13/70/810981370.db2.gz DPLOELCLOJTLFX-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972543 810981553 /nfs/dbraw/zinc/98/15/53/810981553.db2.gz YKEYADAHEZLZNT-KBPBESRZSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974117 810981579 /nfs/dbraw/zinc/98/15/79/810981579.db2.gz NNMGBFZOCUXLIP-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100067790 811012782 /nfs/dbraw/zinc/01/27/82/811012782.db2.gz XWGMRDZJVUBJEU-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100067790 811012789 /nfs/dbraw/zinc/01/27/89/811012789.db2.gz XWGMRDZJVUBJEU-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100067790 811012795 /nfs/dbraw/zinc/01/27/95/811012795.db2.gz XWGMRDZJVUBJEU-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074835 811015559 /nfs/dbraw/zinc/01/55/59/811015559.db2.gz UDLHEPBYGHALSH-CHWSQXEVSA-N 2 1 285.388 -0.698 20 30 CBEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100081465 811018147 /nfs/dbraw/zinc/01/81/47/811018147.db2.gz SUBRYPNSSCWDEL-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100081465 811018154 /nfs/dbraw/zinc/01/81/54/811018154.db2.gz SUBRYPNSSCWDEL-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100081465 811018161 /nfs/dbraw/zinc/01/81/61/811018161.db2.gz SUBRYPNSSCWDEL-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132354 811025702 /nfs/dbraw/zinc/02/57/02/811025702.db2.gz RYAJGUGUCTWRNL-STQMWFEESA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132354 811025706 /nfs/dbraw/zinc/02/57/06/811025706.db2.gz RYAJGUGUCTWRNL-STQMWFEESA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132354 811025711 /nfs/dbraw/zinc/02/57/11/811025711.db2.gz RYAJGUGUCTWRNL-STQMWFEESA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132354 811025716 /nfs/dbraw/zinc/02/57/16/811025716.db2.gz RYAJGUGUCTWRNL-STQMWFEESA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131404 811026711 /nfs/dbraw/zinc/02/67/11/811026711.db2.gz CMTXWSQJGROTHK-KGLIPLIRSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131404 811026717 /nfs/dbraw/zinc/02/67/17/811026717.db2.gz CMTXWSQJGROTHK-KGLIPLIRSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131404 811026721 /nfs/dbraw/zinc/02/67/21/811026721.db2.gz CMTXWSQJGROTHK-KGLIPLIRSA-N 2 1 281.400 -0.099 20 30 CBEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157380164 815429635 /nfs/dbraw/zinc/42/96/35/815429635.db2.gz XZNPOZQZOGKBLI-WFASDCNBSA-N 2 1 294.399 -0.427 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979728 812171086 /nfs/dbraw/zinc/17/10/86/812171086.db2.gz CUDCRJNPBGPOMM-FOLVSLTJSA-N 2 1 291.395 -0.222 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979728 812171090 /nfs/dbraw/zinc/17/10/90/812171090.db2.gz CUDCRJNPBGPOMM-FOLVSLTJSA-N 2 1 291.395 -0.222 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486183 815535427 /nfs/dbraw/zinc/53/54/27/815535427.db2.gz HJNULJBPAOCRRB-STQMWFEESA-N 2 1 265.357 -0.421 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507035 815536182 /nfs/dbraw/zinc/53/61/82/815536182.db2.gz OOGIYDMDMPBNFS-UONOGXRCSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507057 815536674 /nfs/dbraw/zinc/53/66/74/815536674.db2.gz OYUQMBPPQZLQIG-KBPBESRZSA-N 2 1 279.384 -0.031 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507036 815536776 /nfs/dbraw/zinc/53/67/76/815536776.db2.gz OOGIYDMDMPBNFS-ZIAGYGMSSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001122442721 813165004 /nfs/dbraw/zinc/16/50/04/813165004.db2.gz UUYFHZHXEBYUDC-CHWSQXEVSA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122442721 813165011 /nfs/dbraw/zinc/16/50/11/813165011.db2.gz UUYFHZHXEBYUDC-CHWSQXEVSA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001122442723 813165220 /nfs/dbraw/zinc/16/52/20/813165220.db2.gz UUYFHZHXEBYUDC-QWHCGFSZSA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122442723 813165224 /nfs/dbraw/zinc/16/52/24/813165224.db2.gz UUYFHZHXEBYUDC-QWHCGFSZSA-N 2 1 265.357 -0.733 20 30 CBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001124877599 813495045 /nfs/dbraw/zinc/49/50/45/813495045.db2.gz HCDNBGPLXXXLQL-OLZOCXBDSA-N 2 1 294.399 -0.427 20 30 CBEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125226596 813537569 /nfs/dbraw/zinc/53/75/69/813537569.db2.gz DGTKLQSRXJBUJY-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125226596 813537574 /nfs/dbraw/zinc/53/75/74/813537574.db2.gz DGTKLQSRXJBUJY-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127067117 813710374 /nfs/dbraw/zinc/71/03/74/813710374.db2.gz WVEIZUCOZQBXQG-LBPRGKRZSA-N 2 1 295.387 -0.795 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660338 813742517 /nfs/dbraw/zinc/74/25/17/813742517.db2.gz WOWRVNDLXTYVFJ-JHJVBQTASA-N 2 1 296.415 -0.277 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785967 813748771 /nfs/dbraw/zinc/74/87/71/813748771.db2.gz SACAQAOXOHERHK-ZIAGYGMSSA-N 2 1 297.399 -0.242 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779278 813749017 /nfs/dbraw/zinc/74/90/17/813749017.db2.gz KPIJFPKLONUYFB-RYUDHWBXSA-N 2 1 251.330 -0.811 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129380364 813840143 /nfs/dbraw/zinc/84/01/43/813840143.db2.gz HWNBBJNJSVYWCG-GFCCVEGCSA-N 2 1 263.345 -0.848 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364142 813840385 /nfs/dbraw/zinc/84/03/85/813840385.db2.gz PXISWSXOQGHVOQ-CQSZACIVSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001129762190 813862444 /nfs/dbraw/zinc/86/24/44/813862444.db2.gz ITCCFEIHMJPOKW-ZDUSSCGKSA-N 2 1 290.371 -0.882 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001129762190 813862448 /nfs/dbraw/zinc/86/24/48/813862448.db2.gz ITCCFEIHMJPOKW-ZDUSSCGKSA-N 2 1 290.371 -0.882 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001129771082 813863686 /nfs/dbraw/zinc/86/36/86/813863686.db2.gz QJCQMEZHXLJRNH-RYUDHWBXSA-N 2 1 280.372 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001129771082 813863692 /nfs/dbraw/zinc/86/36/92/813863692.db2.gz QJCQMEZHXLJRNH-RYUDHWBXSA-N 2 1 280.372 -0.946 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC ZINC001129791099 813864736 /nfs/dbraw/zinc/86/47/36/813864736.db2.gz RPQSGKQXVADVGM-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC ZINC001129791099 813864748 /nfs/dbraw/zinc/86/47/48/813864748.db2.gz RPQSGKQXVADVGM-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182405 813913735 /nfs/dbraw/zinc/91/37/35/813913735.db2.gz GOUOAXUBRQDPSU-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182405 813913738 /nfs/dbraw/zinc/91/37/38/813913738.db2.gz GOUOAXUBRQDPSU-VXGBXAGGSA-N 2 1 253.346 -0.565 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130298218 813925382 /nfs/dbraw/zinc/92/53/82/813925382.db2.gz YLSGBGHMWCLVSP-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130422168 813939400 /nfs/dbraw/zinc/93/94/00/813939400.db2.gz ZATXLVVWBSZKCG-LBPRGKRZSA-N 2 1 296.415 -0.440 20 30 CBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848531 814194278 /nfs/dbraw/zinc/19/42/78/814194278.db2.gz KEEZESKLCNGMKH-CYBMUJFWSA-N 2 1 267.373 -0.175 20 30 CBEDMP C[N@@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001292879862 816490065 /nfs/dbraw/zinc/49/00/65/816490065.db2.gz CQYWKQQSGWKHDO-CHWSQXEVSA-N 2 1 294.399 -0.064 20 30 CBEDMP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317287105 816959351 /nfs/dbraw/zinc/95/93/51/816959351.db2.gz YBVXILVZTABJCY-RYUDHWBXSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317287105 816959355 /nfs/dbraw/zinc/95/93/55/816959355.db2.gz YBVXILVZTABJCY-RYUDHWBXSA-N 2 1 255.362 -0.013 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](O)COC ZINC001317596443 817025597 /nfs/dbraw/zinc/02/55/97/817025597.db2.gz JISZFBLLCBBMKI-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](O)COC ZINC001317596443 817025604 /nfs/dbraw/zinc/02/56/04/817025604.db2.gz JISZFBLLCBBMKI-KBPBESRZSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001317596145 817026411 /nfs/dbraw/zinc/02/64/11/817026411.db2.gz HWGOMPBIXZXGGU-RYUDHWBXSA-N 2 1 280.372 -0.994 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001317596145 817026417 /nfs/dbraw/zinc/02/64/17/817026417.db2.gz HWGOMPBIXZXGGU-RYUDHWBXSA-N 2 1 280.372 -0.994 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317627050 817033682 /nfs/dbraw/zinc/03/36/82/817033682.db2.gz RLTQKADMHAHTEL-ZDUSSCGKSA-N 2 1 296.415 -0.322 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320199346 817288605 /nfs/dbraw/zinc/28/86/05/817288605.db2.gz BGUPXOGBCPEJAY-NWDGAFQWSA-N 2 1 255.362 -0.277 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320217522 817295790 /nfs/dbraw/zinc/29/57/90/817295790.db2.gz OTBQOPJHLYEDMO-OLZOCXBDSA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001320227672 817298958 /nfs/dbraw/zinc/29/89/58/817298958.db2.gz SQTUBUDYXKQYQW-UONOGXRCSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001320235979 817300923 /nfs/dbraw/zinc/30/09/23/817300923.db2.gz TZCBRERBQUTGMV-CYBMUJFWSA-N 2 1 267.373 -0.439 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320296669 817318663 /nfs/dbraw/zinc/31/86/63/817318663.db2.gz VCAKXJVCUDTLNW-OLZOCXBDSA-N 2 1 267.373 -0.582 20 30 CBEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001320647106 817367631 /nfs/dbraw/zinc/36/76/31/817367631.db2.gz SFRWQESCZFPIBL-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001320647106 817367640 /nfs/dbraw/zinc/36/76/40/817367640.db2.gz SFRWQESCZFPIBL-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668022 820014760 /nfs/dbraw/zinc/01/47/60/820014760.db2.gz OKHOMNQKQFAWCB-ZDUSSCGKSA-N 2 1 296.415 -0.274 20 30 CBEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001170211136 820279787 /nfs/dbraw/zinc/27/97/87/820279787.db2.gz KUQHDJLOOWJOEI-UHFFFAOYSA-N 2 1 283.376 -0.936 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170221574 820281933 /nfs/dbraw/zinc/28/19/33/820281933.db2.gz DWXFERPTZUPNFV-ZDUSSCGKSA-N 2 1 296.415 -0.438 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171215413 820350444 /nfs/dbraw/zinc/35/04/44/820350444.db2.gz CFCZXGOFRBMAMD-CYBMUJFWSA-N 2 1 296.415 -0.274 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171757697 820370607 /nfs/dbraw/zinc/37/06/07/820370607.db2.gz NKJRACNOIGBGBS-UHFFFAOYSA-N 2 1 284.404 -0.274 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176063885 820437728 /nfs/dbraw/zinc/43/77/28/820437728.db2.gz IFNHEXRLKZHAJI-OLZOCXBDSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636041 820454404 /nfs/dbraw/zinc/45/44/04/820454404.db2.gz KCJHYQLEZPPPFB-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636041 820454413 /nfs/dbraw/zinc/45/44/13/820454413.db2.gz KCJHYQLEZPPPFB-LBPRGKRZSA-N 2 1 253.346 -0.564 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176637126 820455612 /nfs/dbraw/zinc/45/56/12/820455612.db2.gz YDZOTVFBMMESSA-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176637126 820455615 /nfs/dbraw/zinc/45/56/15/820455615.db2.gz YDZOTVFBMMESSA-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176980603 820485198 /nfs/dbraw/zinc/48/51/98/820485198.db2.gz LFWXIFWBRNJSIA-UHFFFAOYSA-N 2 1 283.376 -0.938 20 30 CBEDMP C#CCC[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001279885800 828340859 /nfs/dbraw/zinc/34/08/59/828340859.db2.gz DAEXGVKGEJUKFK-AWEZNQCLSA-N 2 1 281.400 -0.238 20 30 CBEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001279999625 828343049 /nfs/dbraw/zinc/34/30/49/828343049.db2.gz OEBSPRBMQKFQCO-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001279999625 828343055 /nfs/dbraw/zinc/34/30/55/828343055.db2.gz OEBSPRBMQKFQCO-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001280567259 828361181 /nfs/dbraw/zinc/36/11/81/828361181.db2.gz QVZFXDQNTKGMCE-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001283798008 828549729 /nfs/dbraw/zinc/54/97/29/828549729.db2.gz UEWKKRHHMZBBQA-MELADBBJSA-N 2 1 281.400 -0.193 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198030348 824214860 /nfs/dbraw/zinc/21/48/60/824214860.db2.gz YJEABFXMOFXCIH-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198030348 824214867 /nfs/dbraw/zinc/21/48/67/824214867.db2.gz YJEABFXMOFXCIH-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198030348 824214876 /nfs/dbraw/zinc/21/48/76/824214876.db2.gz YJEABFXMOFXCIH-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1nc[nH]c1C#N ZINC001218594515 824602589 /nfs/dbraw/zinc/60/25/89/824602589.db2.gz KKADTYRWBVFUEQ-QMMMGPOBSA-N 2 1 250.306 -0.063 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219825797 824898894 /nfs/dbraw/zinc/89/88/94/824898894.db2.gz KXEIIDSLLOHQPM-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219825797 824898900 /nfs/dbraw/zinc/89/89/00/824898900.db2.gz KXEIIDSLLOHQPM-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219825797 824898908 /nfs/dbraw/zinc/89/89/08/824898908.db2.gz KXEIIDSLLOHQPM-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219825797 824898917 /nfs/dbraw/zinc/89/89/17/824898917.db2.gz KXEIIDSLLOHQPM-MJBXVCDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#C[C@](C)([NH3+])C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220307107 825010781 /nfs/dbraw/zinc/01/07/81/825010781.db2.gz RYOLLQSFGKVOIC-ZDUSSCGKSA-N 2 1 252.362 -0.909 20 30 CBEDMP C#CCN1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220815129 825105912 /nfs/dbraw/zinc/10/59/12/825105912.db2.gz BKJGRMJVFOUUDO-NEPJUHHUSA-N 2 1 253.346 -0.877 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220868755 825116929 /nfs/dbraw/zinc/11/69/29/825116929.db2.gz RXCLEDMTXLZGDQ-IPYPFGDCSA-N 2 1 278.400 -0.296 20 30 CBEDMP C=CC[C@@](C)(NC(=O)C[NH2+]C1CC[NH2+]CC1)C(=O)OC ZINC001221381462 825179702 /nfs/dbraw/zinc/17/97/02/825179702.db2.gz BUUQKHSBOLYFKM-CQSZACIVSA-N 2 1 283.372 -0.048 20 30 CBEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947220 825197270 /nfs/dbraw/zinc/19/72/70/825197270.db2.gz YFPDDEFPCZMTSD-ZIAGYGMSSA-N 2 1 279.384 -0.270 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947220 825197276 /nfs/dbraw/zinc/19/72/76/825197276.db2.gz YFPDDEFPCZMTSD-ZIAGYGMSSA-N 2 1 279.384 -0.270 20 30 CBEDMP C#CCOC[C@@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245989100 825618052 /nfs/dbraw/zinc/61/80/52/825618052.db2.gz XVRLYZSCKMXQEM-KGLIPLIRSA-N 2 1 281.400 -0.539 20 30 CBEDMP C=CCOC[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246022706 825624819 /nfs/dbraw/zinc/62/48/19/825624819.db2.gz AVLCBCMHKIDSAF-CHWSQXEVSA-N 2 1 255.362 -0.813 20 30 CBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028099 825626073 /nfs/dbraw/zinc/62/60/73/825626073.db2.gz ZYAJICSCFWORIS-QWHCGFSZSA-N 2 1 258.362 -0.274 20 30 CBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028091 825626560 /nfs/dbraw/zinc/62/65/60/825626560.db2.gz ZUZCCXFNIWBUMN-QWHCGFSZSA-N 2 1 256.346 -0.827 20 30 CBEDMP C=CCOC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032458 825627360 /nfs/dbraw/zinc/62/73/60/825627360.db2.gz SZZDNZRJSBYTHP-CYBMUJFWSA-N 2 1 269.389 -0.423 20 30 CBEDMP C#CCOC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246028587 825627474 /nfs/dbraw/zinc/62/74/74/825627474.db2.gz KBIYKSLPGARXEZ-CYBMUJFWSA-N 2 1 267.373 -0.976 20 30 CBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CNC(=O)C1 ZINC001246302221 825661666 /nfs/dbraw/zinc/66/16/66/825661666.db2.gz BYIUCINWCDYBEF-MNOVXSKESA-N 2 1 269.345 -0.309 20 30 CBEDMP N#C[C@@H]1C[C@@H](NCCC[NH2+]CCCC[NH3+])CCN1 ZINC001246456137 825675402 /nfs/dbraw/zinc/67/54/02/825675402.db2.gz HVHBJYZFVIWVRO-STQMWFEESA-N 2 1 253.394 -0.061 20 30 CBEDMP N#C[C@@H]1C[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246620306 825696480 /nfs/dbraw/zinc/69/64/80/825696480.db2.gz XWUYCSZOAZIXMT-CRWXNKLISA-N 2 1 263.389 -0.344 20 30 CBEDMP C#CCOC[C@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001251851921 825795082 /nfs/dbraw/zinc/79/50/82/825795082.db2.gz WDIRAMDOKNYECU-MRXNPFEDSA-N 2 1 295.427 -0.290 20 30 CBEDMP C#CCOC[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001251851697 825795101 /nfs/dbraw/zinc/79/51/01/825795101.db2.gz QHVJXNHWLUAGLP-AWEZNQCLSA-N 2 1 297.399 -0.907 20 30 CBEDMP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001263305691 826762449 /nfs/dbraw/zinc/76/24/49/826762449.db2.gz DPAFFCGYZZRQTG-UKRRQHHQSA-N 2 1 292.427 -0.260 20 30 CBEDMP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(C)CCN1C ZINC001263305691 826762454 /nfs/dbraw/zinc/76/24/54/826762454.db2.gz DPAFFCGYZZRQTG-UKRRQHHQSA-N 2 1 292.427 -0.260 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001264416928 826809577 /nfs/dbraw/zinc/80/95/77/826809577.db2.gz JJHXGMZHVQVKQO-MGPQQGTHSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001264416928 826809591 /nfs/dbraw/zinc/80/95/91/826809591.db2.gz JJHXGMZHVQVKQO-MGPQQGTHSA-N 2 1 279.384 -0.175 20 30 CBEDMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001265021510 826834744 /nfs/dbraw/zinc/83/47/44/826834744.db2.gz RIUVZBYMWRINOO-GFCCVEGCSA-N 2 1 295.387 -0.842 20 30 CBEDMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NCC#N ZINC001265021510 826834755 /nfs/dbraw/zinc/83/47/55/826834755.db2.gz RIUVZBYMWRINOO-GFCCVEGCSA-N 2 1 295.387 -0.842 20 30 CBEDMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NCC#N ZINC001265021510 826834769 /nfs/dbraw/zinc/83/47/69/826834769.db2.gz RIUVZBYMWRINOO-GFCCVEGCSA-N 2 1 295.387 -0.842 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001265789981 826919268 /nfs/dbraw/zinc/91/92/68/826919268.db2.gz CNJGDRDCOALWIY-CHWSQXEVSA-N 2 1 294.399 -0.686 20 30 CBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265894991 826935389 /nfs/dbraw/zinc/93/53/89/826935389.db2.gz BJICONSLWOYHML-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266360050 826992569 /nfs/dbraw/zinc/99/25/69/826992569.db2.gz PFDZLGOQJZJWQK-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266360050 826992577 /nfs/dbraw/zinc/99/25/77/826992577.db2.gz PFDZLGOQJZJWQK-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266360050 826992579 /nfs/dbraw/zinc/99/25/79/826992579.db2.gz PFDZLGOQJZJWQK-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266360050 826992589 /nfs/dbraw/zinc/99/25/89/826992589.db2.gz PFDZLGOQJZJWQK-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266666919 827044809 /nfs/dbraw/zinc/04/48/09/827044809.db2.gz JBGVCDFZUSSFRT-CYBMUJFWSA-N 2 1 283.372 -0.985 20 30 CBEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266666919 827044812 /nfs/dbraw/zinc/04/48/12/827044812.db2.gz JBGVCDFZUSSFRT-CYBMUJFWSA-N 2 1 283.372 -0.985 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266930134 827089993 /nfs/dbraw/zinc/08/99/93/827089993.db2.gz OPJWRERWISBTSS-RYUDHWBXSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266930134 827090001 /nfs/dbraw/zinc/09/00/01/827090001.db2.gz OPJWRERWISBTSS-RYUDHWBXSA-N 2 1 253.346 -0.565 20 30 CBEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001266944630 827092457 /nfs/dbraw/zinc/09/24/57/827092457.db2.gz NHZOABUSFBRZJE-NSHDSACASA-N 2 1 295.387 -0.795 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267127792 827116105 /nfs/dbraw/zinc/11/61/05/827116105.db2.gz MWPABCFOUFNZHJ-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267127792 827116109 /nfs/dbraw/zinc/11/61/09/827116109.db2.gz MWPABCFOUFNZHJ-QWHCGFSZSA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267127794 827116215 /nfs/dbraw/zinc/11/62/15/827116215.db2.gz MWPABCFOUFNZHJ-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267127794 827116218 /nfs/dbraw/zinc/11/62/18/827116218.db2.gz MWPABCFOUFNZHJ-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001267256427 827138790 /nfs/dbraw/zinc/13/87/90/827138790.db2.gz WCOAGIZWJFQFKY-GFCCVEGCSA-N 2 1 295.387 -0.984 20 30 CBEDMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001267256427 827138799 /nfs/dbraw/zinc/13/87/99/827138799.db2.gz WCOAGIZWJFQFKY-GFCCVEGCSA-N 2 1 295.387 -0.984 20 30 CBEDMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001267256427 827138803 /nfs/dbraw/zinc/13/88/03/827138803.db2.gz WCOAGIZWJFQFKY-GFCCVEGCSA-N 2 1 295.387 -0.984 20 30 CBEDMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NCC#N ZINC001267256427 827138809 /nfs/dbraw/zinc/13/88/09/827138809.db2.gz WCOAGIZWJFQFKY-GFCCVEGCSA-N 2 1 295.387 -0.984 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H](C)O ZINC001268238942 827266998 /nfs/dbraw/zinc/26/69/98/827266998.db2.gz NDSWWWIDJTXEQA-KBPBESRZSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@H](C)O ZINC001268238942 827266976 /nfs/dbraw/zinc/26/69/76/827266976.db2.gz NDSWWWIDJTXEQA-KBPBESRZSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H](C)O ZINC001268238942 827266986 /nfs/dbraw/zinc/26/69/86/827266986.db2.gz NDSWWWIDJTXEQA-KBPBESRZSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H](C)O ZINC001268238942 827267003 /nfs/dbraw/zinc/26/70/03/827267003.db2.gz NDSWWWIDJTXEQA-KBPBESRZSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H](C)O ZINC001268238948 827267733 /nfs/dbraw/zinc/26/77/33/827267733.db2.gz NDSWWWIDJTXEQA-KGLIPLIRSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](C)O ZINC001268238948 827267741 /nfs/dbraw/zinc/26/77/41/827267741.db2.gz NDSWWWIDJTXEQA-KGLIPLIRSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](C)O ZINC001268238948 827267752 /nfs/dbraw/zinc/26/77/52/827267752.db2.gz NDSWWWIDJTXEQA-KGLIPLIRSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](C)O ZINC001268238948 827267761 /nfs/dbraw/zinc/26/77/61/827267761.db2.gz NDSWWWIDJTXEQA-KGLIPLIRSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCO ZINC001268375293 827318072 /nfs/dbraw/zinc/31/80/72/827318072.db2.gz UCUILXCWKIOYSH-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCO ZINC001268375293 827318077 /nfs/dbraw/zinc/31/80/77/827318077.db2.gz UCUILXCWKIOYSH-STQMWFEESA-N 2 1 267.373 -0.439 20 30 CBEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268785969 827422844 /nfs/dbraw/zinc/42/28/44/827422844.db2.gz JQIKYNOTEBACJX-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268785969 827422847 /nfs/dbraw/zinc/42/28/47/827422847.db2.gz JQIKYNOTEBACJX-ZDUSSCGKSA-N 2 1 267.373 -0.222 20 30 CBEDMP C=CCNC(=O)CN1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001269186587 827472830 /nfs/dbraw/zinc/47/28/30/827472830.db2.gz BULKTIXLBXKHAK-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001269186587 827472834 /nfs/dbraw/zinc/47/28/34/827472834.db2.gz BULKTIXLBXKHAK-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001269186587 827472838 /nfs/dbraw/zinc/47/28/38/827472838.db2.gz BULKTIXLBXKHAK-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001269186587 827472842 /nfs/dbraw/zinc/47/28/42/827472842.db2.gz BULKTIXLBXKHAK-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001269186587 827472846 /nfs/dbraw/zinc/47/28/46/827472846.db2.gz BULKTIXLBXKHAK-CYBMUJFWSA-N 2 1 296.415 -0.179 20 30 CBEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001269384914 827501966 /nfs/dbraw/zinc/50/19/66/827501966.db2.gz XSPMPMMDSHFHEH-NWDGAFQWSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001269384914 827501971 /nfs/dbraw/zinc/50/19/71/827501971.db2.gz XSPMPMMDSHFHEH-NWDGAFQWSA-N 2 1 253.346 -0.565 20 30 CBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001271191679 827675349 /nfs/dbraw/zinc/67/53/49/827675349.db2.gz GKCGSWKTQMRPJK-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001271191679 827675350 /nfs/dbraw/zinc/67/53/50/827675350.db2.gz GKCGSWKTQMRPJK-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001271191679 827675354 /nfs/dbraw/zinc/67/53/54/827675354.db2.gz GKCGSWKTQMRPJK-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001272196839 827769380 /nfs/dbraw/zinc/76/93/80/827769380.db2.gz PSKLDLGNXKCJDI-CQSZACIVSA-N 2 1 281.400 -0.096 20 30 CBEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272388102 827790140 /nfs/dbraw/zinc/79/01/40/827790140.db2.gz AQDDFAMHNVPGHV-STQMWFEESA-N 2 1 285.388 -0.650 20 30 CBEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272388102 827790146 /nfs/dbraw/zinc/79/01/46/827790146.db2.gz AQDDFAMHNVPGHV-STQMWFEESA-N 2 1 285.388 -0.650 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001272443920 827798591 /nfs/dbraw/zinc/79/85/91/827798591.db2.gz QSXHZLTUFKVSME-KBPBESRZSA-N 2 1 281.400 -0.049 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001272465192 827802215 /nfs/dbraw/zinc/80/22/15/827802215.db2.gz CLUILUHOMXDHPB-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001272465192 827802229 /nfs/dbraw/zinc/80/22/29/827802229.db2.gz CLUILUHOMXDHPB-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272554318 827820909 /nfs/dbraw/zinc/82/09/09/827820909.db2.gz UNRQZXJNWSYKOT-AWEZNQCLSA-N 2 1 299.334 -0.419 20 30 CBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275520585 828095356 /nfs/dbraw/zinc/09/53/56/828095356.db2.gz ILZNDZOSIDQDGR-NEPJUHHUSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275520585 828095363 /nfs/dbraw/zinc/09/53/63/828095363.db2.gz ILZNDZOSIDQDGR-NEPJUHHUSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001275520585 828095371 /nfs/dbraw/zinc/09/53/71/828095371.db2.gz ILZNDZOSIDQDGR-NEPJUHHUSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001275520585 828095380 /nfs/dbraw/zinc/09/53/80/828095380.db2.gz ILZNDZOSIDQDGR-NEPJUHHUSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275520589 828095902 /nfs/dbraw/zinc/09/59/02/828095902.db2.gz ILZNDZOSIDQDGR-RYUDHWBXSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275520589 828095908 /nfs/dbraw/zinc/09/59/08/828095908.db2.gz ILZNDZOSIDQDGR-RYUDHWBXSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001275520589 828095915 /nfs/dbraw/zinc/09/59/15/828095915.db2.gz ILZNDZOSIDQDGR-RYUDHWBXSA-N 2 1 295.387 -0.843 20 30 CBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001275520589 828095921 /nfs/dbraw/zinc/09/59/21/828095921.db2.gz ILZNDZOSIDQDGR-RYUDHWBXSA-N 2 1 295.387 -0.843 20 30 CBEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001275622722 828104597 /nfs/dbraw/zinc/10/45/97/828104597.db2.gz RJEGXMSNGXKQIA-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001275622722 828104600 /nfs/dbraw/zinc/10/46/00/828104600.db2.gz RJEGXMSNGXKQIA-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275622722 828104601 /nfs/dbraw/zinc/10/46/01/828104601.db2.gz RJEGXMSNGXKQIA-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275622722 828104604 /nfs/dbraw/zinc/10/46/04/828104604.db2.gz RJEGXMSNGXKQIA-CHWSQXEVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275802407 828115898 /nfs/dbraw/zinc/11/58/98/828115898.db2.gz ZZTXJVWSBXGLAC-RYUDHWBXSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275802407 828115900 /nfs/dbraw/zinc/11/59/00/828115900.db2.gz ZZTXJVWSBXGLAC-RYUDHWBXSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275802407 828115907 /nfs/dbraw/zinc/11/59/07/828115907.db2.gz ZZTXJVWSBXGLAC-RYUDHWBXSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275802407 828115912 /nfs/dbraw/zinc/11/59/12/828115912.db2.gz ZZTXJVWSBXGLAC-RYUDHWBXSA-N 2 1 253.346 -0.613 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]C(C)C ZINC001278094307 828244786 /nfs/dbraw/zinc/24/47/86/828244786.db2.gz VUUVXWHEMWGXMZ-STQMWFEESA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]C(C)C ZINC001278094307 828244791 /nfs/dbraw/zinc/24/47/91/828244791.db2.gz VUUVXWHEMWGXMZ-STQMWFEESA-N 2 1 267.373 -0.441 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001278202676 828258993 /nfs/dbraw/zinc/25/89/93/828258993.db2.gz TVVIWADGWPUPAR-LSDHHAIUSA-N 2 1 289.379 -0.011 20 30 CBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001278860359 828300077 /nfs/dbraw/zinc/30/00/77/828300077.db2.gz VGDICYMWGPYBFW-KBPBESRZSA-N 2 1 283.416 -0.043 20 30 CBEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001332520290 887336547 /nfs/dbraw/zinc/33/65/47/887336547.db2.gz AAADTMYFYDNPTJ-CQSZACIVSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001326148499 884923068 /nfs/dbraw/zinc/92/30/68/884923068.db2.gz MZFVGVDZRWGTOO-OKILXGFUSA-N 2 1 281.400 -0.097 20 30 CBEDMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001326584786 885076999 /nfs/dbraw/zinc/07/69/99/885076999.db2.gz YQUDQNBVTSVYRL-NWDGAFQWSA-N 2 1 290.371 -0.086 20 30 CBEDMP C#CCC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001331112491 886680075 /nfs/dbraw/zinc/68/00/75/886680075.db2.gz ZXZIRUULJFNVJA-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001331112491 886680090 /nfs/dbraw/zinc/68/00/90/886680090.db2.gz ZXZIRUULJFNVJA-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001331112491 886680098 /nfs/dbraw/zinc/68/00/98/886680098.db2.gz ZXZIRUULJFNVJA-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001331112491 886680111 /nfs/dbraw/zinc/68/01/11/886680111.db2.gz ZXZIRUULJFNVJA-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332664554 887398047 /nfs/dbraw/zinc/39/80/47/887398047.db2.gz VGDICYMWGPYBFW-ZIAGYGMSSA-N 2 1 283.416 -0.043 20 30 CBEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001332677414 887401107 /nfs/dbraw/zinc/40/11/07/887401107.db2.gz RPAXTRFNMWPDEB-ZDUSSCGKSA-N 2 1 269.389 -0.289 20 30 CBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC001335407230 888526607 /nfs/dbraw/zinc/52/66/07/888526607.db2.gz JQQOQMDPOPXWLQ-ZDUSSCGKSA-N 2 1 265.361 -0.241 20 30 CBEDMP C#CC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC001340202112 889409575 /nfs/dbraw/zinc/40/95/75/889409575.db2.gz UUUOVTRGCGDXOC-LBPRGKRZSA-N 2 1 253.346 -0.706 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001341762765 889660571 /nfs/dbraw/zinc/66/05/71/889660571.db2.gz BIEQQTKXLCZGDE-CYBMUJFWSA-N 2 1 258.325 -0.223 20 30 CBEDMP CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+](C)CC1 ZINC001343026867 889858092 /nfs/dbraw/zinc/85/80/92/889858092.db2.gz XKNUSIWFJYLQGE-CYBMUJFWSA-N 2 1 281.404 -0.287 20 30 CBEDMP CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+](C)CC1 ZINC001343026867 889858104 /nfs/dbraw/zinc/85/81/04/889858104.db2.gz XKNUSIWFJYLQGE-CYBMUJFWSA-N 2 1 281.404 -0.287 20 30 CBEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001346251011 890248858 /nfs/dbraw/zinc/24/88/58/890248858.db2.gz IUPGLZFTSSJBPI-OAHLLOKOSA-N 2 1 296.411 -0.034 20 30 CBEDMP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001353325461 891405502 /nfs/dbraw/zinc/40/55/02/891405502.db2.gz AYFPXBNPOMXCOT-VXGBXAGGSA-N 2 1 255.362 -0.057 20 30 CBEDMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001507063602 921666191 /nfs/dbraw/zinc/66/61/91/921666191.db2.gz RUDJUMJSGOHKIL-VXGBXAGGSA-N 2 1 295.387 -0.843 20 30 CBEDMP C=CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001507262305 921792108 /nfs/dbraw/zinc/79/21/08/921792108.db2.gz WTAPVJTZUPWZIX-LLVKDONJSA-N 2 1 252.318 -0.556 20 30 CBEDMP C=CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001507262306 921793129 /nfs/dbraw/zinc/79/31/29/921793129.db2.gz WTAPVJTZUPWZIX-NSHDSACASA-N 2 1 252.318 -0.556 20 30 CBEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001479937932 916224836 /nfs/dbraw/zinc/22/48/36/916224836.db2.gz HBWJHISODDCNQW-OAHLLOKOSA-N 2 1 294.443 -0.060 20 30 CBEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480636654 916507300 /nfs/dbraw/zinc/50/73/00/916507300.db2.gz FBJLRLUFSLCWKG-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480636654 916507310 /nfs/dbraw/zinc/50/73/10/916507310.db2.gz FBJLRLUFSLCWKG-ZIAGYGMSSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480965386 916661602 /nfs/dbraw/zinc/66/16/02/916661602.db2.gz OVOVZXLPQKRRLI-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480965386 916661608 /nfs/dbraw/zinc/66/16/08/916661608.db2.gz OVOVZXLPQKRRLI-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480965386 916661619 /nfs/dbraw/zinc/66/16/19/916661619.db2.gz OVOVZXLPQKRRLI-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480965386 916661627 /nfs/dbraw/zinc/66/16/27/916661627.db2.gz OVOVZXLPQKRRLI-CYBMUJFWSA-N 2 1 294.399 -0.732 20 30 CBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481108729 916723491 /nfs/dbraw/zinc/72/34/91/916723491.db2.gz CSEYLSLEWHNMSF-CYBMUJFWSA-N 2 1 296.415 -0.322 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001481319410 916820037 /nfs/dbraw/zinc/82/00/37/916820037.db2.gz CXLWPCIRVYMHLP-UHFFFAOYSA-N 2 1 283.376 -0.986 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482267132 917109469 /nfs/dbraw/zinc/10/94/69/917109469.db2.gz RFQAEANERNHNMA-STQMWFEESA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482267131 917110025 /nfs/dbraw/zinc/11/00/25/917110025.db2.gz RFQAEANERNHNMA-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482650366 917196433 /nfs/dbraw/zinc/19/64/33/917196433.db2.gz VKNPDIQNAJSEPH-CQSZACIVSA-N 2 1 281.400 -0.022 20 30 CBEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482650366 917196440 /nfs/dbraw/zinc/19/64/40/917196440.db2.gz VKNPDIQNAJSEPH-CQSZACIVSA-N 2 1 281.400 -0.022 20 30 CBEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482650366 917196453 /nfs/dbraw/zinc/19/64/53/917196453.db2.gz VKNPDIQNAJSEPH-CQSZACIVSA-N 2 1 281.400 -0.022 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483319381 917526597 /nfs/dbraw/zinc/52/65/97/917526597.db2.gz IYRVYHAGNJCYKM-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483319381 917526610 /nfs/dbraw/zinc/52/66/10/917526610.db2.gz IYRVYHAGNJCYKM-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483319381 917526614 /nfs/dbraw/zinc/52/66/14/917526614.db2.gz IYRVYHAGNJCYKM-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483319381 917526622 /nfs/dbraw/zinc/52/66/22/917526622.db2.gz IYRVYHAGNJCYKM-QWHCGFSZSA-N 2 1 294.399 -0.734 20 30 CBEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484238211 917786052 /nfs/dbraw/zinc/78/60/52/917786052.db2.gz YLMINOKZPUCREO-DZKIICNBSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484238211 917786065 /nfs/dbraw/zinc/78/60/65/917786065.db2.gz YLMINOKZPUCREO-DZKIICNBSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484238211 917786076 /nfs/dbraw/zinc/78/60/76/917786076.db2.gz YLMINOKZPUCREO-DZKIICNBSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484252892 917793276 /nfs/dbraw/zinc/79/32/76/917793276.db2.gz XYIUTLLUJLOZQC-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484252892 917793285 /nfs/dbraw/zinc/79/32/85/917793285.db2.gz XYIUTLLUJLOZQC-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484252892 917793294 /nfs/dbraw/zinc/79/32/94/917793294.db2.gz XYIUTLLUJLOZQC-UKRRQHHQSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001484483932 917868891 /nfs/dbraw/zinc/86/88/91/917868891.db2.gz GLIOKQTVCINKRL-AWEZNQCLSA-N 2 1 281.400 -0.096 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001486008332 918303426 /nfs/dbraw/zinc/30/34/26/918303426.db2.gz IKVVRCJOONACDD-VXGBXAGGSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001486008332 918303437 /nfs/dbraw/zinc/30/34/37/918303437.db2.gz IKVVRCJOONACDD-VXGBXAGGSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001486008330 918304168 /nfs/dbraw/zinc/30/41/68/918304168.db2.gz IKVVRCJOONACDD-NWDGAFQWSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001486008330 918304174 /nfs/dbraw/zinc/30/41/74/918304174.db2.gz IKVVRCJOONACDD-NWDGAFQWSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486027681 918321210 /nfs/dbraw/zinc/32/12/10/918321210.db2.gz NVPHZEYSPDGLMQ-OLZOCXBDSA-N 2 1 267.373 -0.439 20 30 CBEDMP C=CCC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001486034821 918329294 /nfs/dbraw/zinc/32/92/94/918329294.db2.gz VHMGPHZXURZDTK-STQMWFEESA-N 2 1 269.389 -0.029 20 30 CBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001486067276 918352687 /nfs/dbraw/zinc/35/26/87/918352687.db2.gz XPTZGUCZXRRCIG-KGLIPLIRSA-N 2 1 281.400 -0.049 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486268939 918402598 /nfs/dbraw/zinc/40/25/98/918402598.db2.gz WAUBYECIGOXBHT-STQMWFEESA-N 2 1 285.388 -0.698 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486268939 918402606 /nfs/dbraw/zinc/40/26/06/918402606.db2.gz WAUBYECIGOXBHT-STQMWFEESA-N 2 1 285.388 -0.698 20 30 CBEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001486332788 918436482 /nfs/dbraw/zinc/43/64/82/918436482.db2.gz IZVHPPYZDHKNKY-ZIAGYGMSSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001486332788 918436491 /nfs/dbraw/zinc/43/64/91/918436491.db2.gz IZVHPPYZDHKNKY-ZIAGYGMSSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486332788 918436498 /nfs/dbraw/zinc/43/64/98/918436498.db2.gz IZVHPPYZDHKNKY-ZIAGYGMSSA-N 2 1 299.415 -0.356 20 30 CBEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486332788 918436507 /nfs/dbraw/zinc/43/65/07/918436507.db2.gz IZVHPPYZDHKNKY-ZIAGYGMSSA-N 2 1 299.415 -0.356 20 30 CBEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490648014 918950776 /nfs/dbraw/zinc/95/07/76/918950776.db2.gz GXADFLORBDBVHK-KBPBESRZSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490648014 918950783 /nfs/dbraw/zinc/95/07/83/918950783.db2.gz GXADFLORBDBVHK-KBPBESRZSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001497911612 920422819 /nfs/dbraw/zinc/42/28/19/920422819.db2.gz ZCHHNRYBOLSYSA-QWHCGFSZSA-N 2 1 294.399 -0.828 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498448966 920589599 /nfs/dbraw/zinc/58/95/99/920589599.db2.gz AQMAEFYLLGYSMN-OLZOCXBDSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498448966 920589605 /nfs/dbraw/zinc/58/96/05/920589605.db2.gz AQMAEFYLLGYSMN-OLZOCXBDSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498448966 920589608 /nfs/dbraw/zinc/58/96/08/920589608.db2.gz AQMAEFYLLGYSMN-OLZOCXBDSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498448966 920589615 /nfs/dbraw/zinc/58/96/15/920589615.db2.gz AQMAEFYLLGYSMN-OLZOCXBDSA-N 2 1 294.399 -0.876 20 30 CBEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500724622 920866277 /nfs/dbraw/zinc/86/62/77/920866277.db2.gz GNORSRUHXMBRFK-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500724622 920866281 /nfs/dbraw/zinc/86/62/81/920866281.db2.gz GNORSRUHXMBRFK-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500724622 920866293 /nfs/dbraw/zinc/86/62/93/920866293.db2.gz GNORSRUHXMBRFK-HIFRSBDPSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500762220 920878530 /nfs/dbraw/zinc/87/85/30/920878530.db2.gz DSGIJRZCFZCQQG-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500762220 920878540 /nfs/dbraw/zinc/87/85/40/920878540.db2.gz DSGIJRZCFZCQQG-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500762220 920878552 /nfs/dbraw/zinc/87/85/52/920878552.db2.gz DSGIJRZCFZCQQG-ZFWWWQNUSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501364440 920976556 /nfs/dbraw/zinc/97/65/56/920976556.db2.gz NHKRUVKONRJXLE-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501364440 920976571 /nfs/dbraw/zinc/97/65/71/920976571.db2.gz NHKRUVKONRJXLE-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501364440 920976585 /nfs/dbraw/zinc/97/65/85/920976585.db2.gz NHKRUVKONRJXLE-GDBMZVCRSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001507487174 921849948 /nfs/dbraw/zinc/84/99/48/921849948.db2.gz HMVTZUIJPDTDBM-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001520969001 922330548 /nfs/dbraw/zinc/33/05/48/922330548.db2.gz HRFNITHRRUOZPJ-CHWSQXEVSA-N 2 1 291.399 -0.521 20 30 CBEDMP C#CC[NH2+]CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521195213 922340666 /nfs/dbraw/zinc/34/06/66/922340666.db2.gz OWCGIEBBYBEIKP-BETUJISGSA-N 2 1 267.373 -0.175 20 30 CBEDMP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000341905105 353218180 /nfs/dbraw/zinc/21/81/80/353218180.db2.gz BTVGUDZGHLNGKF-KPWCQOOUSA-N 2 1 252.358 -0.385 20 30 CBEDMP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000341905105 353218183 /nfs/dbraw/zinc/21/81/83/353218183.db2.gz BTVGUDZGHLNGKF-KPWCQOOUSA-N 2 1 252.358 -0.385 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430936969 354251723 /nfs/dbraw/zinc/25/17/23/354251723.db2.gz YHDVPZSXBLVPFV-NXEZZACHSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430936969 354251725 /nfs/dbraw/zinc/25/17/25/354251725.db2.gz YHDVPZSXBLVPFV-NXEZZACHSA-N 2 1 254.334 -0.333 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000491339651 354455660 /nfs/dbraw/zinc/45/56/60/354455660.db2.gz RKBHVLHZIXXOHY-ZDUSSCGKSA-N 2 1 282.388 -0.381 20 30 CBEDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000573676181 354918777 /nfs/dbraw/zinc/91/87/77/354918777.db2.gz GKWCSVPHXKJIKV-CYBMUJFWSA-N 2 1 265.361 -0.013 20 30 CBEDMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600742837 355563723 /nfs/dbraw/zinc/56/37/23/355563723.db2.gz KOBOFHKQTJHYGC-QWHCGFSZSA-N 2 1 279.340 -0.532 20 30 CBEDMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600742833 355564411 /nfs/dbraw/zinc/56/44/11/355564411.db2.gz KOBOFHKQTJHYGC-CHWSQXEVSA-N 2 1 279.340 -0.532 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131588070 220211324 /nfs/dbraw/zinc/21/13/24/220211324.db2.gz CKIILJRSVXDSQB-ZJUUUORDSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131588070 220211327 /nfs/dbraw/zinc/21/13/27/220211327.db2.gz CKIILJRSVXDSQB-ZJUUUORDSA-N 2 1 254.334 -0.333 20 30 CBEDMP C[N@H+]1CCCN(CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000261999332 220246336 /nfs/dbraw/zinc/24/63/36/220246336.db2.gz PCCJCLYUVDYOAB-UHFFFAOYSA-N 2 1 285.461 -0.013 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CC[NH+](C)C1 ZINC000262275204 220250112 /nfs/dbraw/zinc/25/01/12/220250112.db2.gz HVFUBDHXEHDDEU-JSGCOSHPSA-N 3 1 283.420 -0.558 20 30 CBEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000262275204 220250120 /nfs/dbraw/zinc/25/01/20/220250120.db2.gz HVFUBDHXEHDDEU-JSGCOSHPSA-N 3 1 283.420 -0.558 20 30 CBEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000262275204 220250125 /nfs/dbraw/zinc/25/01/25/220250125.db2.gz HVFUBDHXEHDDEU-JSGCOSHPSA-N 3 1 283.420 -0.558 20 30 CBEDMP C[C@@H]1C[NH+]=C(NCCC(=O)N2CC[NH+](C)CC2)N1 ZINC000262629479 220253599 /nfs/dbraw/zinc/25/35/99/220253599.db2.gz FKYROVRMJQBCQH-SNVBAGLBSA-N 2 1 253.350 -0.912 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCO[C@@H]1C ZINC000262728025 220254609 /nfs/dbraw/zinc/25/46/09/220254609.db2.gz HPNUVACYOXJBAB-BZPMIXESSA-N 2 1 284.404 -0.085 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000262728026 220255700 /nfs/dbraw/zinc/25/57/00/220255700.db2.gz HPNUVACYOXJBAB-OUCADQQQSA-N 2 1 284.404 -0.085 20 30 CBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(C)n1 ZINC000263127990 220260576 /nfs/dbraw/zinc/26/05/76/220260576.db2.gz FYMVBZQRSZWREP-NSHDSACASA-N 2 1 265.365 -0.296 20 30 CBEDMP Cn1nccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264103145 220262969 /nfs/dbraw/zinc/26/29/69/220262969.db2.gz OOYFBJWRANNZGZ-UHFFFAOYSA-N 2 1 280.376 -0.453 20 30 CBEDMP COCCNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303361045 220325839 /nfs/dbraw/zinc/32/58/39/220325839.db2.gz CGKQBLPWECRIEI-UHFFFAOYSA-N 2 1 257.382 -0.825 20 30 CBEDMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000330764177 220361502 /nfs/dbraw/zinc/36/15/02/220361502.db2.gz RFJXLZSINDPNKO-SNVBAGLBSA-N 2 1 256.350 -0.080 20 30 CBEDMP CNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000161490900 277005189 /nfs/dbraw/zinc/00/51/89/277005189.db2.gz OSDXATNQKPPFRN-UHFFFAOYSA-N 2 1 277.376 -0.477 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000491393905 332203540 /nfs/dbraw/zinc/20/35/40/332203540.db2.gz JWCDPJLFVYRYFW-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000491393905 332203541 /nfs/dbraw/zinc/20/35/41/332203541.db2.gz JWCDPJLFVYRYFW-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000491393905 332203542 /nfs/dbraw/zinc/20/35/42/332203542.db2.gz JWCDPJLFVYRYFW-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000491545168 332234813 /nfs/dbraw/zinc/23/48/13/332234813.db2.gz PEGMCSRUIAPPLO-AWEZNQCLSA-N 2 1 281.400 -0.192 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000491672165 332278957 /nfs/dbraw/zinc/27/89/57/332278957.db2.gz OUDWNEZHJBDBJM-CYBMUJFWSA-N 2 1 281.404 -0.774 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000491692303 332288941 /nfs/dbraw/zinc/28/89/41/332288941.db2.gz QUXKJHIIKNAIJG-LBPRGKRZSA-N 2 1 252.362 -0.007 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000491699119 332293975 /nfs/dbraw/zinc/29/39/75/332293975.db2.gz CCKOUAIFHQKIKX-CQSZACIVSA-N 2 1 282.432 -0.060 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=S)NCC[NH+](C)C ZINC000491714709 332305234 /nfs/dbraw/zinc/30/52/34/332305234.db2.gz NNQWDDVRNJAPSM-UHFFFAOYSA-N 2 1 256.419 -0.033 20 30 CBEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000763988838 582321783 /nfs/dbraw/zinc/32/17/83/582321783.db2.gz ARFJIDBOQSQQOR-HNNXBMFYSA-N 2 1 290.411 -0.456 20 30 CBEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000763988838 582321784 /nfs/dbraw/zinc/32/17/84/582321784.db2.gz ARFJIDBOQSQQOR-HNNXBMFYSA-N 2 1 290.411 -0.456 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000830012514 582915224 /nfs/dbraw/zinc/91/52/24/582915224.db2.gz BCPFETDAJPPLOX-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000830012514 582915227 /nfs/dbraw/zinc/91/52/27/582915227.db2.gz BCPFETDAJPPLOX-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834569369 583131558 /nfs/dbraw/zinc/13/15/58/583131558.db2.gz NOYUUCAJQMMTFA-HOCLYGCPSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834569369 583131562 /nfs/dbraw/zinc/13/15/62/583131562.db2.gz NOYUUCAJQMMTFA-HOCLYGCPSA-N 2 1 293.411 -0.001 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000847377588 583404820 /nfs/dbraw/zinc/40/48/20/583404820.db2.gz DCYJUOSNJQKSJF-UONOGXRCSA-N 2 1 294.399 -0.598 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847377588 583404821 /nfs/dbraw/zinc/40/48/21/583404821.db2.gz DCYJUOSNJQKSJF-UONOGXRCSA-N 2 1 294.399 -0.598 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847377588 583404823 /nfs/dbraw/zinc/40/48/23/583404823.db2.gz DCYJUOSNJQKSJF-UONOGXRCSA-N 2 1 294.399 -0.598 20 30 CBEDMP CN1CC[NH+]=C1NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999894 583465834 /nfs/dbraw/zinc/46/58/34/583465834.db2.gz ABLYVTUEVPIWLL-NSHDSACASA-N 2 1 267.377 -0.535 20 30 CBEDMP C[C@H](C#N)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849003808 583466653 /nfs/dbraw/zinc/46/66/53/583466653.db2.gz HJUNANPXZHFFHF-LLVKDONJSA-N 2 1 253.350 -0.018 20 30 CBEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000872208800 584050132 /nfs/dbraw/zinc/05/01/32/584050132.db2.gz DWJUBEFFQKFCNW-AWEZNQCLSA-N 2 1 284.400 -0.176 20 30 CBEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000872208800 584050134 /nfs/dbraw/zinc/05/01/34/584050134.db2.gz DWJUBEFFQKFCNW-AWEZNQCLSA-N 2 1 284.400 -0.176 20 30 CBEDMP COCC[N@H+](CC(=O)NCC#N)CC1CC[NH+](C)CC1 ZINC000879125152 584227130 /nfs/dbraw/zinc/22/71/30/584227130.db2.gz RBQNTQPEATYBJH-UHFFFAOYSA-N 2 1 282.388 -0.084 20 30 CBEDMP COCC[N@@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884208103 584367116 /nfs/dbraw/zinc/36/71/16/584367116.db2.gz QAVZRXVLMQUMHI-JVWICGRDSA-N 2 1 294.399 -0.180 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888985322 584511402 /nfs/dbraw/zinc/51/14/02/584511402.db2.gz TWMPSIFKUYVWKV-UHFFFAOYSA-N 2 1 268.405 -0.190 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969069114 612963540 /nfs/dbraw/zinc/96/35/40/612963540.db2.gz IPUFOOPHQDVZIV-JHJVBQTASA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969069114 612963542 /nfs/dbraw/zinc/96/35/42/612963542.db2.gz IPUFOOPHQDVZIV-JHJVBQTASA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC000968954236 613196849 /nfs/dbraw/zinc/19/68/49/613196849.db2.gz FPQIKSCGJJCBMG-UPJWGTAASA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC000968954236 613196850 /nfs/dbraw/zinc/19/68/50/613196850.db2.gz FPQIKSCGJJCBMG-UPJWGTAASA-N 2 1 292.383 -0.852 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC000968954813 613197081 /nfs/dbraw/zinc/19/70/81/613197081.db2.gz SOOIXWJZHVZZEO-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC000968954813 613197083 /nfs/dbraw/zinc/19/70/83/613197083.db2.gz SOOIXWJZHVZZEO-MCIONIFRSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591758 613293956 /nfs/dbraw/zinc/29/39/56/613293956.db2.gz IEYABFDNSNWXFZ-STQMWFEESA-N 2 1 277.368 -0.876 20 30 CBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958268719 613295301 /nfs/dbraw/zinc/29/53/01/613295301.db2.gz XHFCJJGLOYYGDJ-ZFWWWQNUSA-N 2 1 298.346 -0.010 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374926 613618474 /nfs/dbraw/zinc/61/84/74/613618474.db2.gz PRSXHFAYYOJTGF-GJZGRUSLSA-N 2 1 293.411 -0.240 20 30 CBEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977956479 613629956 /nfs/dbraw/zinc/62/99/56/613629956.db2.gz OPCWYZOLUJZDMK-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977956479 613629959 /nfs/dbraw/zinc/62/99/59/613629959.db2.gz OPCWYZOLUJZDMK-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977956479 613629962 /nfs/dbraw/zinc/62/99/62/613629962.db2.gz OPCWYZOLUJZDMK-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977956479 613629964 /nfs/dbraw/zinc/62/99/64/613629964.db2.gz OPCWYZOLUJZDMK-APIJFGDWSA-N 2 1 291.395 -0.366 20 30 CBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665401 613661115 /nfs/dbraw/zinc/66/11/15/613661115.db2.gz WIYQPZVTSWRJPB-AWEZNQCLSA-N 2 1 292.427 -0.048 20 30 CBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665401 613661117 /nfs/dbraw/zinc/66/11/17/613661117.db2.gz WIYQPZVTSWRJPB-AWEZNQCLSA-N 2 1 292.427 -0.048 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591449 613812338 /nfs/dbraw/zinc/81/23/38/613812338.db2.gz GZDBTLHTOQXGPD-QWHCGFSZSA-N 2 1 279.384 -0.323 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374010 613813307 /nfs/dbraw/zinc/81/33/07/613813307.db2.gz KVNVHBAARCHSLI-UONOGXRCSA-N 2 1 281.400 -0.077 20 30 CBEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374009 613830484 /nfs/dbraw/zinc/83/04/84/613830484.db2.gz KVNVHBAARCHSLI-KGLIPLIRSA-N 2 1 281.400 -0.077 20 30 CBEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968304599 613865524 /nfs/dbraw/zinc/86/55/24/613865524.db2.gz YBULSKLGNVWEGM-VXGBXAGGSA-N 2 1 253.346 -0.307 20 30 CBEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968304599 613865525 /nfs/dbraw/zinc/86/55/25/613865525.db2.gz YBULSKLGNVWEGM-VXGBXAGGSA-N 2 1 253.346 -0.307 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000923572942 658334357 /nfs/dbraw/zinc/33/43/57/658334357.db2.gz HUFIVXXFICOLJY-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000923572942 658334369 /nfs/dbraw/zinc/33/43/69/658334369.db2.gz HUFIVXXFICOLJY-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000931482203 659471080 /nfs/dbraw/zinc/47/10/80/659471080.db2.gz RRQYSCPIUSWMHF-UHFFFAOYSA-N 2 1 294.399 -0.063 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912793 656083124 /nfs/dbraw/zinc/08/31/24/656083124.db2.gz XVNFBQOWZWIFCB-NSHDSACASA-N 2 1 285.392 -0.910 20 30 CBEDMP CCN(C)C(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000187051771 656095956 /nfs/dbraw/zinc/09/59/56/656095956.db2.gz KWCHNBTVDXSZNB-NSHDSACASA-N 2 1 269.393 -0.147 20 30 CBEDMP CNC(NCCC[N@H+]1CCC[C@H](C(N)=O)C1)=[NH+]C ZINC000303384731 656139030 /nfs/dbraw/zinc/13/90/30/656139030.db2.gz UXYIAMDBKSKYQK-JTQLQIEISA-N 2 1 255.366 -0.631 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303980728 656140179 /nfs/dbraw/zinc/14/01/79/656140179.db2.gz OKLGRTOOBDQIRP-ZDUSSCGKSA-N 2 1 285.436 -0.047 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303980728 656140181 /nfs/dbraw/zinc/14/01/81/656140181.db2.gz OKLGRTOOBDQIRP-ZDUSSCGKSA-N 2 1 285.436 -0.047 20 30 CBEDMP COC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303980728 656140183 /nfs/dbraw/zinc/14/01/83/656140183.db2.gz OKLGRTOOBDQIRP-ZDUSSCGKSA-N 2 1 285.436 -0.047 20 30 CBEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303989293 656140224 /nfs/dbraw/zinc/14/02/24/656140224.db2.gz XJQCGGABHJCFNL-UHFFFAOYSA-N 2 1 285.436 -0.047 20 30 CBEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)C[NH+]1CCOCC1 ZINC000304760865 656140981 /nfs/dbraw/zinc/14/09/81/656140981.db2.gz SZKHFSBABITSNW-GFCCVEGCSA-N 2 1 270.377 -0.398 20 30 CBEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000304757199 656141069 /nfs/dbraw/zinc/14/10/69/656141069.db2.gz OOLWENWPKYNCJV-AWEZNQCLSA-N 2 1 297.447 -0.045 20 30 CBEDMP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304757199 656141071 /nfs/dbraw/zinc/14/10/71/656141071.db2.gz OOLWENWPKYNCJV-AWEZNQCLSA-N 3 1 297.447 -0.045 20 30 CBEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304757199 656141073 /nfs/dbraw/zinc/14/10/73/656141073.db2.gz OOLWENWPKYNCJV-AWEZNQCLSA-N 3 1 297.447 -0.045 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000305076245 656141563 /nfs/dbraw/zinc/14/15/63/656141563.db2.gz LCMFFAURFOCUEU-UTUOFQBUSA-N 2 1 297.403 -0.592 20 30 CBEDMP C#CC[N@@H+](C)CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000327977102 656148696 /nfs/dbraw/zinc/14/86/96/656148696.db2.gz HUNNPKXIFQYXLT-AWEZNQCLSA-N 2 1 253.390 -0.012 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000905579031 656362589 /nfs/dbraw/zinc/36/25/89/656362589.db2.gz HNQWRYBFIBRARJ-GFCCVEGCSA-N 2 1 255.362 -0.318 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997336854 656473536 /nfs/dbraw/zinc/47/35/36/656473536.db2.gz RKBBVTQHPZLBMA-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997336854 656473541 /nfs/dbraw/zinc/47/35/41/656473541.db2.gz RKBBVTQHPZLBMA-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998586749 656549308 /nfs/dbraw/zinc/54/93/08/656549308.db2.gz PTTCJCIJCCIRSW-WXRRBKDZSA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998586749 656549314 /nfs/dbraw/zinc/54/93/14/656549314.db2.gz PTTCJCIJCCIRSW-WXRRBKDZSA-N 2 1 265.357 -0.471 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998811059 656588628 /nfs/dbraw/zinc/58/86/28/656588628.db2.gz IMTQHXUAJQSLDI-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998811059 656588636 /nfs/dbraw/zinc/58/86/36/656588636.db2.gz IMTQHXUAJQSLDI-QWHCGFSZSA-N 2 1 265.357 -0.469 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000464530 656717725 /nfs/dbraw/zinc/71/77/25/656717725.db2.gz INOXSQMAIKMURJ-AWEZNQCLSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001001491184 656812811 /nfs/dbraw/zinc/81/28/11/656812811.db2.gz FXDGCULUNVPALP-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001001491184 656812816 /nfs/dbraw/zinc/81/28/16/656812816.db2.gz FXDGCULUNVPALP-HNNXBMFYSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913518806 657486058 /nfs/dbraw/zinc/48/60/58/657486058.db2.gz BIDMGZSKOIBUFA-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913518806 657486073 /nfs/dbraw/zinc/48/60/73/657486073.db2.gz BIDMGZSKOIBUFA-GFCCVEGCSA-N 2 1 253.346 -0.612 20 30 CBEDMP C[C@H]1C[N@H+](C)C[C@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913524436 657493810 /nfs/dbraw/zinc/49/38/10/657493810.db2.gz MPIYAQNFKIODIU-NWDGAFQWSA-N 2 1 253.346 -0.613 20 30 CBEDMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913524436 657493811 /nfs/dbraw/zinc/49/38/11/657493811.db2.gz MPIYAQNFKIODIU-NWDGAFQWSA-N 2 1 253.346 -0.613 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913540112 657495028 /nfs/dbraw/zinc/49/50/28/657495028.db2.gz OPNBBXFWVQTQJV-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913540112 657495050 /nfs/dbraw/zinc/49/50/50/657495050.db2.gz OPNBBXFWVQTQJV-LBPRGKRZSA-N 2 1 255.362 -0.371 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000913684078 657582892 /nfs/dbraw/zinc/58/28/92/657582892.db2.gz FMAPDAGQUPXRCA-UHFFFAOYSA-N 2 1 296.415 -0.273 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001016330780 657689336 /nfs/dbraw/zinc/68/93/36/657689336.db2.gz VHGGHTCYULQWRV-OAHLLOKOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001018663719 657837341 /nfs/dbraw/zinc/83/73/41/657837341.db2.gz NNMRETZGVCODNZ-NWDGAFQWSA-N 2 1 251.330 -0.859 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001018663719 657837344 /nfs/dbraw/zinc/83/73/44/657837344.db2.gz NNMRETZGVCODNZ-NWDGAFQWSA-N 2 1 251.330 -0.859 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020045520 657996920 /nfs/dbraw/zinc/99/69/20/657996920.db2.gz DKCFJIKLFQGZSF-IJLUTSLNSA-N 2 1 253.346 -0.260 20 30 CBEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020045520 657996925 /nfs/dbraw/zinc/99/69/25/657996925.db2.gz DKCFJIKLFQGZSF-IJLUTSLNSA-N 2 1 253.346 -0.260 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020046219 657997211 /nfs/dbraw/zinc/99/72/11/657997211.db2.gz XUYADDXPPHDZDD-SRVKXCTJSA-N 2 1 251.330 -0.813 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020046219 657997222 /nfs/dbraw/zinc/99/72/22/657997222.db2.gz XUYADDXPPHDZDD-SRVKXCTJSA-N 2 1 251.330 -0.813 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001020250856 658030966 /nfs/dbraw/zinc/03/09/66/658030966.db2.gz UUZATYLMQIBYLS-XUXIUFHCSA-N 2 1 279.384 -0.298 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001020250856 658030974 /nfs/dbraw/zinc/03/09/74/658030974.db2.gz UUZATYLMQIBYLS-XUXIUFHCSA-N 2 1 279.384 -0.298 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000923552354 658317385 /nfs/dbraw/zinc/31/73/85/658317385.db2.gz WRGOHQHFXBXAMU-YDHLFZDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CCN1CCC[C@H](NC(=O)[C@]2(C)C[C@H](O)CN2C)C1 ZINC000923552354 658317400 /nfs/dbraw/zinc/31/74/00/658317400.db2.gz WRGOHQHFXBXAMU-YDHLFZDLSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC000987188797 659494754 /nfs/dbraw/zinc/49/47/54/659494754.db2.gz BKCOMMLQDAQHMO-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP Cc1nccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000170909357 790412873 /nfs/dbraw/zinc/41/28/73/790412873.db2.gz AXQWNVMOLTYPKG-UHFFFAOYSA-N 2 1 292.387 -0.088 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021926901 790970780 /nfs/dbraw/zinc/97/07/80/790970780.db2.gz XUYADDXPPHDZDD-GRYCIOLGSA-N 2 1 251.330 -0.813 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021926901 790970788 /nfs/dbraw/zinc/97/07/88/790970788.db2.gz XUYADDXPPHDZDD-GRYCIOLGSA-N 2 1 251.330 -0.813 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001022220947 790997953 /nfs/dbraw/zinc/99/79/53/790997953.db2.gz UUGMJCHJQACDKO-MJBXVCDLSA-N 2 1 259.353 -0.046 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001022220947 790997963 /nfs/dbraw/zinc/99/79/63/790997963.db2.gz UUGMJCHJQACDKO-MJBXVCDLSA-N 2 1 259.353 -0.046 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612338 805757420 /nfs/dbraw/zinc/75/74/20/805757420.db2.gz CKBHWWKPLSGYQM-CHWSQXEVSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612338 805757423 /nfs/dbraw/zinc/75/74/23/805757423.db2.gz CKBHWWKPLSGYQM-CHWSQXEVSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078005757 805819575 /nfs/dbraw/zinc/81/95/75/805819575.db2.gz HOZMPCIKDAWCDX-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078005757 805819588 /nfs/dbraw/zinc/81/95/88/805819588.db2.gz HOZMPCIKDAWCDX-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005757 805819594 /nfs/dbraw/zinc/81/95/94/805819594.db2.gz HOZMPCIKDAWCDX-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005757 805819605 /nfs/dbraw/zinc/81/96/05/805819605.db2.gz HOZMPCIKDAWCDX-YNEHKIRRSA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175562 805850439 /nfs/dbraw/zinc/85/04/39/805850439.db2.gz BDJJFTIIYPIQJA-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175562 805850448 /nfs/dbraw/zinc/85/04/48/805850448.db2.gz BDJJFTIIYPIQJA-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175562 805850458 /nfs/dbraw/zinc/85/04/58/805850458.db2.gz BDJJFTIIYPIQJA-JHJVBQTASA-N 2 1 267.373 -0.325 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900263 814926526 /nfs/dbraw/zinc/92/65/26/814926526.db2.gz KVLCMZAWQPWERA-STQMWFEESA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326216 806165586 /nfs/dbraw/zinc/16/55/86/806165586.db2.gz SVFNCNYUWVDQPP-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326216 806165589 /nfs/dbraw/zinc/16/55/89/806165589.db2.gz SVFNCNYUWVDQPP-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326216 806165595 /nfs/dbraw/zinc/16/55/95/806165595.db2.gz SVFNCNYUWVDQPP-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326216 806165598 /nfs/dbraw/zinc/16/55/98/806165598.db2.gz SVFNCNYUWVDQPP-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082567953 806186258 /nfs/dbraw/zinc/18/62/58/806186258.db2.gz NPEOFUQHSIWPOL-UPJWGTAASA-N 2 1 292.383 -0.994 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082567953 806186261 /nfs/dbraw/zinc/18/62/61/806186261.db2.gz NPEOFUQHSIWPOL-UPJWGTAASA-N 2 1 292.383 -0.994 20 30 CBEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274803 806246353 /nfs/dbraw/zinc/24/63/53/806246353.db2.gz AFALNRZZADVJTM-SOUVJXGZSA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274803 806246363 /nfs/dbraw/zinc/24/63/63/806246363.db2.gz AFALNRZZADVJTM-SOUVJXGZSA-N 2 1 291.395 -0.127 20 30 CBEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274803 806246366 /nfs/dbraw/zinc/24/63/66/806246366.db2.gz AFALNRZZADVJTM-SOUVJXGZSA-N 2 1 291.395 -0.127 20 30 CBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957752 806469760 /nfs/dbraw/zinc/46/97/60/806469760.db2.gz OAECWLPNPJUERE-NEPJUHHUSA-N 2 1 265.357 -0.571 20 30 CBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957752 806469765 /nfs/dbraw/zinc/46/97/65/806469765.db2.gz OAECWLPNPJUERE-NEPJUHHUSA-N 2 1 265.357 -0.571 20 30 CBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959343 806470141 /nfs/dbraw/zinc/47/01/41/806470141.db2.gz RWARWPUWNYWZOT-OLZOCXBDSA-N 2 1 279.384 -0.180 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159384 806548676 /nfs/dbraw/zinc/54/86/76/806548676.db2.gz RTPSFOUYFQAHJX-MGPQQGTHSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159384 806548682 /nfs/dbraw/zinc/54/86/82/806548682.db2.gz RTPSFOUYFQAHJX-MGPQQGTHSA-N 2 1 279.384 -0.033 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001023423343 798904995 /nfs/dbraw/zinc/90/49/95/798904995.db2.gz XCPYNJOLQCOMPQ-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001023423343 798905000 /nfs/dbraw/zinc/90/50/00/798905000.db2.gz XCPYNJOLQCOMPQ-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCO)C1 ZINC001023423343 798905005 /nfs/dbraw/zinc/90/50/05/798905005.db2.gz XCPYNJOLQCOMPQ-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCO)C1 ZINC001023423343 798905008 /nfs/dbraw/zinc/90/50/08/798905008.db2.gz XCPYNJOLQCOMPQ-GJZGRUSLSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026045277 798987626 /nfs/dbraw/zinc/98/76/26/798987626.db2.gz XSTOZCQVQVOQGZ-MEBFFEOJSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026045277 798987627 /nfs/dbraw/zinc/98/76/27/798987627.db2.gz XSTOZCQVQVOQGZ-MEBFFEOJSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026045277 798987631 /nfs/dbraw/zinc/98/76/31/798987631.db2.gz XSTOZCQVQVOQGZ-MEBFFEOJSA-N 2 1 261.369 -0.136 20 30 CBEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027807436 799081382 /nfs/dbraw/zinc/08/13/82/799081382.db2.gz QCPCHFFODRPOHR-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027807436 799081389 /nfs/dbraw/zinc/08/13/89/799081389.db2.gz QCPCHFFODRPOHR-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027807436 799081395 /nfs/dbraw/zinc/08/13/95/799081395.db2.gz QCPCHFFODRPOHR-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027807436 799081402 /nfs/dbraw/zinc/08/14/02/799081402.db2.gz QCPCHFFODRPOHR-UONOGXRCSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027807434 799082917 /nfs/dbraw/zinc/08/29/17/799082917.db2.gz QCPCHFFODRPOHR-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027807434 799082923 /nfs/dbraw/zinc/08/29/23/799082923.db2.gz QCPCHFFODRPOHR-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027807434 799082926 /nfs/dbraw/zinc/08/29/26/799082926.db2.gz QCPCHFFODRPOHR-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027807434 799082930 /nfs/dbraw/zinc/08/29/30/799082930.db2.gz QCPCHFFODRPOHR-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001028329186 799122681 /nfs/dbraw/zinc/12/26/81/799122681.db2.gz HXTPRLQEWRDBEI-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028465952 799139849 /nfs/dbraw/zinc/13/98/49/799139849.db2.gz NRYFIBDMNKSKEO-CHWSQXEVSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028465952 799139853 /nfs/dbraw/zinc/13/98/53/799139853.db2.gz NRYFIBDMNKSKEO-CHWSQXEVSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028465952 799139858 /nfs/dbraw/zinc/13/98/58/799139858.db2.gz NRYFIBDMNKSKEO-CHWSQXEVSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028465952 799139862 /nfs/dbraw/zinc/13/98/62/799139862.db2.gz NRYFIBDMNKSKEO-CHWSQXEVSA-N 2 1 267.373 -0.059 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001028604222 799152768 /nfs/dbraw/zinc/15/27/68/799152768.db2.gz RYROWSWVBDFRDM-KGLIPLIRSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001028604222 799152771 /nfs/dbraw/zinc/15/27/71/799152771.db2.gz RYROWSWVBDFRDM-KGLIPLIRSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028604222 799152773 /nfs/dbraw/zinc/15/27/73/799152773.db2.gz RYROWSWVBDFRDM-KGLIPLIRSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCO)C1 ZINC001028604222 799152775 /nfs/dbraw/zinc/15/27/75/799152775.db2.gz RYROWSWVBDFRDM-KGLIPLIRSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001028604221 799153496 /nfs/dbraw/zinc/15/34/96/799153496.db2.gz RYROWSWVBDFRDM-KBPBESRZSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001028604221 799153500 /nfs/dbraw/zinc/15/35/00/799153500.db2.gz RYROWSWVBDFRDM-KBPBESRZSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028604221 799153504 /nfs/dbraw/zinc/15/35/04/799153504.db2.gz RYROWSWVBDFRDM-KBPBESRZSA-N 2 1 279.384 -0.486 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCO)C1 ZINC001028604221 799153507 /nfs/dbraw/zinc/15/35/07/799153507.db2.gz RYROWSWVBDFRDM-KBPBESRZSA-N 2 1 279.384 -0.486 20 30 CBEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031597164 799516658 /nfs/dbraw/zinc/51/66/58/799516658.db2.gz VOXUWPIOGMVTBS-ZDUSSCGKSA-N 2 1 267.373 -0.059 20 30 CBEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031597164 799516665 /nfs/dbraw/zinc/51/66/65/799516665.db2.gz VOXUWPIOGMVTBS-ZDUSSCGKSA-N 2 1 267.373 -0.059 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688362 799533366 /nfs/dbraw/zinc/53/33/66/799533366.db2.gz DNRLGQCQVUHVGF-UONOGXRCSA-N 2 1 277.368 -0.469 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688362 799533368 /nfs/dbraw/zinc/53/33/68/799533368.db2.gz DNRLGQCQVUHVGF-UONOGXRCSA-N 2 1 277.368 -0.469 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688363 799533557 /nfs/dbraw/zinc/53/35/57/799533557.db2.gz DNRLGQCQVUHVGF-ZIAGYGMSSA-N 2 1 277.368 -0.469 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688363 799533562 /nfs/dbraw/zinc/53/35/62/799533562.db2.gz DNRLGQCQVUHVGF-ZIAGYGMSSA-N 2 1 277.368 -0.469 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688361 799534064 /nfs/dbraw/zinc/53/40/64/799534064.db2.gz DNRLGQCQVUHVGF-KGLIPLIRSA-N 2 1 277.368 -0.469 20 30 CBEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688361 799534067 /nfs/dbraw/zinc/53/40/67/799534067.db2.gz DNRLGQCQVUHVGF-KGLIPLIRSA-N 2 1 277.368 -0.469 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](C)O)C1 ZINC001031740390 799537981 /nfs/dbraw/zinc/53/79/81/799537981.db2.gz AZLGKMPDQWPUMA-OCCSQVGLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](C)O)C1 ZINC001031740390 799537984 /nfs/dbraw/zinc/53/79/84/799537984.db2.gz AZLGKMPDQWPUMA-OCCSQVGLSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC)C[C@@H]2O)CC1 ZINC001047638364 801915779 /nfs/dbraw/zinc/91/57/79/801915779.db2.gz OXNUXTQEUVZIRE-GJZGRUSLSA-N 2 1 293.411 -0.145 20 30 CBEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740123 801961221 /nfs/dbraw/zinc/96/12/21/801961221.db2.gz SDLFRTAEWBMKOP-MJBXVCDLSA-N 2 1 279.384 -0.107 20 30 CBEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740123 801961224 /nfs/dbraw/zinc/96/12/24/801961224.db2.gz SDLFRTAEWBMKOP-MJBXVCDLSA-N 2 1 279.384 -0.107 20 30 CBEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740123 801961226 /nfs/dbraw/zinc/96/12/26/801961226.db2.gz SDLFRTAEWBMKOP-MJBXVCDLSA-N 2 1 279.384 -0.107 20 30 CBEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740123 801961230 /nfs/dbraw/zinc/96/12/30/801961230.db2.gz SDLFRTAEWBMKOP-MJBXVCDLSA-N 2 1 279.384 -0.107 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049227374 802007264 /nfs/dbraw/zinc/00/72/64/802007264.db2.gz WRHNQRPAEIXLLC-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049227374 802007273 /nfs/dbraw/zinc/00/72/73/802007273.db2.gz WRHNQRPAEIXLLC-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049227374 802007280 /nfs/dbraw/zinc/00/72/80/802007280.db2.gz WRHNQRPAEIXLLC-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049227374 802007289 /nfs/dbraw/zinc/00/72/89/802007289.db2.gz WRHNQRPAEIXLLC-ZNMIVQPWSA-N 2 1 291.395 -0.270 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834111 814304098 /nfs/dbraw/zinc/30/40/98/814304098.db2.gz OFJKCFXRCPFGTF-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834176 814304567 /nfs/dbraw/zinc/30/45/67/814304567.db2.gz PWLIHWUMYBLUMP-QWHCGFSZSA-N 2 1 296.415 -0.133 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148577837 814950429 /nfs/dbraw/zinc/95/04/29/814950429.db2.gz GGOFIZHGNVYHOI-ZDUSSCGKSA-N 2 1 296.415 -0.438 20 30 CBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)CCC)C1=O ZINC001148643373 814954182 /nfs/dbraw/zinc/95/41/82/814954182.db2.gz XFRJLWDCTNODQU-ZDUSSCGKSA-N 2 1 296.415 -0.179 20 30 CBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001323412503 804024059 /nfs/dbraw/zinc/02/40/59/804024059.db2.gz ZUGXCURYIGLDNW-CYBMUJFWSA-N 2 1 295.383 -0.795 20 30 CBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001323412503 804024062 /nfs/dbraw/zinc/02/40/62/804024062.db2.gz ZUGXCURYIGLDNW-CYBMUJFWSA-N 2 1 295.383 -0.795 20 30 CBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001323516500 804036590 /nfs/dbraw/zinc/03/65/90/804036590.db2.gz QEIBYLWBOFYPJV-GFCCVEGCSA-N 2 1 292.383 -0.932 20 30 CBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150218254 815020466 /nfs/dbraw/zinc/02/04/66/815020466.db2.gz FYXJAXMCNFWIKP-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150218254 815020471 /nfs/dbraw/zinc/02/04/71/815020471.db2.gz FYXJAXMCNFWIKP-CYBMUJFWSA-N 2 1 267.373 -0.222 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072929 815056741 /nfs/dbraw/zinc/05/67/41/815056741.db2.gz AODNMPXJRFELOV-RYUDHWBXSA-N 2 1 282.388 -0.665 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447258 805370828 /nfs/dbraw/zinc/37/08/28/805370828.db2.gz KXZGAKXHPSLOJL-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447258 805370836 /nfs/dbraw/zinc/37/08/36/805370836.db2.gz KXZGAKXHPSLOJL-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447258 805370845 /nfs/dbraw/zinc/37/08/45/805370845.db2.gz KXZGAKXHPSLOJL-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447258 805370854 /nfs/dbraw/zinc/37/08/54/805370854.db2.gz KXZGAKXHPSLOJL-CQSZACIVSA-N 2 1 291.395 -0.125 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151736917 815088548 /nfs/dbraw/zinc/08/85/48/815088548.db2.gz ARVFAWZKKCXWOA-ZDUSSCGKSA-N 2 1 285.388 -0.385 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151736917 815088555 /nfs/dbraw/zinc/08/85/55/815088555.db2.gz ARVFAWZKKCXWOA-ZDUSSCGKSA-N 2 1 285.388 -0.385 20 30 CBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999913 815256372 /nfs/dbraw/zinc/25/63/72/815256372.db2.gz SELJJYIPZHNHHE-CYBMUJFWSA-N 2 1 296.415 -0.486 20 30 CBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999913 815256376 /nfs/dbraw/zinc/25/63/76/815256376.db2.gz SELJJYIPZHNHHE-CYBMUJFWSA-N 2 1 296.415 -0.486 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155822367 815314693 /nfs/dbraw/zinc/31/46/93/815314693.db2.gz OTJXYYCAQQLGEO-QWHCGFSZSA-N 2 1 296.415 -0.133 20 30 CBEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156124967 815338220 /nfs/dbraw/zinc/33/82/20/815338220.db2.gz CQXNYJSGENBLSJ-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156124967 815338227 /nfs/dbraw/zinc/33/82/27/815338227.db2.gz CQXNYJSGENBLSJ-GFCCVEGCSA-N 2 1 255.362 -0.011 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145473 815341002 /nfs/dbraw/zinc/34/10/02/815341002.db2.gz LHXHEPYQHVDLGD-ZDUSSCGKSA-N 2 1 283.372 -0.937 20 30 CBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145473 815341008 /nfs/dbraw/zinc/34/10/08/815341008.db2.gz LHXHEPYQHVDLGD-ZDUSSCGKSA-N 2 1 283.372 -0.937 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090391167 810489365 /nfs/dbraw/zinc/48/93/65/810489365.db2.gz AYUDRCFXOZOGCC-KGLIPLIRSA-N 2 1 291.395 -0.201 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090391167 810489369 /nfs/dbraw/zinc/48/93/69/810489369.db2.gz AYUDRCFXOZOGCC-KGLIPLIRSA-N 2 1 291.395 -0.201 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090544542 810519741 /nfs/dbraw/zinc/51/97/41/810519741.db2.gz WABIFIIPGDZPFP-GJZGRUSLSA-N 2 1 293.411 -0.097 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537795 810520090 /nfs/dbraw/zinc/52/00/90/810520090.db2.gz NZIZTEDBTOQFRR-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090544543 810521099 /nfs/dbraw/zinc/52/10/99/810521099.db2.gz WABIFIIPGDZPFP-HUUCEWRRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574407 810527406 /nfs/dbraw/zinc/52/74/06/810527406.db2.gz SPMXHTBLWIRDLJ-KGLIPLIRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574407 810527413 /nfs/dbraw/zinc/52/74/13/810527413.db2.gz SPMXHTBLWIRDLJ-KGLIPLIRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574407 810527420 /nfs/dbraw/zinc/52/74/20/810527420.db2.gz SPMXHTBLWIRDLJ-KGLIPLIRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574407 810527428 /nfs/dbraw/zinc/52/74/28/810527428.db2.gz SPMXHTBLWIRDLJ-KGLIPLIRSA-N 2 1 293.411 -0.097 20 30 CBEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730083 810558402 /nfs/dbraw/zinc/55/84/02/810558402.db2.gz FWPKHKLFAHUHFM-QWHCGFSZSA-N 2 1 279.384 -0.180 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730000 810558779 /nfs/dbraw/zinc/55/87/79/810558779.db2.gz DIABUFUEWUCCPV-ZIAGYGMSSA-N 2 1 291.395 -0.343 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808890 810569061 /nfs/dbraw/zinc/56/90/61/810569061.db2.gz PONXLTAKELXVPW-UONOGXRCSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808890 810569067 /nfs/dbraw/zinc/56/90/67/810569067.db2.gz PONXLTAKELXVPW-UONOGXRCSA-N 2 1 290.367 -0.234 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001090969904 810583359 /nfs/dbraw/zinc/58/33/59/810583359.db2.gz GOFGGFVMACGLHW-WXRRBKDZSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001090969904 810583363 /nfs/dbraw/zinc/58/33/63/810583363.db2.gz GOFGGFVMACGLHW-WXRRBKDZSA-N 2 1 265.357 -0.565 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971711 810979848 /nfs/dbraw/zinc/97/98/48/810979848.db2.gz LMBWDAWVSOOTNO-CHWSQXEVSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971711 810979852 /nfs/dbraw/zinc/97/98/52/810979852.db2.gz LMBWDAWVSOOTNO-CHWSQXEVSA-N 2 1 279.384 -0.487 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974118 810981302 /nfs/dbraw/zinc/98/13/02/810981302.db2.gz NNMGBFZOCUXLIP-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100063761 811007042 /nfs/dbraw/zinc/00/70/42/811007042.db2.gz CCZWGLNMKVGTOY-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100063761 811007053 /nfs/dbraw/zinc/00/70/53/811007053.db2.gz CCZWGLNMKVGTOY-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063761 811007060 /nfs/dbraw/zinc/00/70/60/811007060.db2.gz CCZWGLNMKVGTOY-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063761 811007067 /nfs/dbraw/zinc/00/70/67/811007067.db2.gz CCZWGLNMKVGTOY-STQMWFEESA-N 2 1 267.373 -0.487 20 30 CBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073346 811013897 /nfs/dbraw/zinc/01/38/97/811013897.db2.gz CGXCCRUVOUQISH-ZIAGYGMSSA-N 2 1 297.399 -0.861 20 30 CBEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082576 811016416 /nfs/dbraw/zinc/01/64/16/811016416.db2.gz FCKLILQVJXBDHT-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082576 811016426 /nfs/dbraw/zinc/01/64/26/811016426.db2.gz FCKLILQVJXBDHT-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082576 811016435 /nfs/dbraw/zinc/01/64/35/811016435.db2.gz FCKLILQVJXBDHT-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083093 811016594 /nfs/dbraw/zinc/01/65/94/811016594.db2.gz NAPMKWUOGKXVHQ-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083093 811016601 /nfs/dbraw/zinc/01/66/01/811016601.db2.gz NAPMKWUOGKXVHQ-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083093 811016609 /nfs/dbraw/zinc/01/66/09/811016609.db2.gz NAPMKWUOGKXVHQ-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083093 811016615 /nfs/dbraw/zinc/01/66/15/811016615.db2.gz NAPMKWUOGKXVHQ-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080716 811017679 /nfs/dbraw/zinc/01/76/79/811017679.db2.gz LUOFUFIYEDHGCH-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080716 811017686 /nfs/dbraw/zinc/01/76/86/811017686.db2.gz LUOFUFIYEDHGCH-KGLIPLIRSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100082579 811017921 /nfs/dbraw/zinc/01/79/21/811017921.db2.gz FCKLILQVJXBDHT-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100082579 811017930 /nfs/dbraw/zinc/01/79/30/811017930.db2.gz FCKLILQVJXBDHT-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100082579 811017937 /nfs/dbraw/zinc/01/79/37/811017937.db2.gz FCKLILQVJXBDHT-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132353 811025229 /nfs/dbraw/zinc/02/52/29/811025229.db2.gz RYAJGUGUCTWRNL-QWHCGFSZSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132353 811025234 /nfs/dbraw/zinc/02/52/34/811025234.db2.gz RYAJGUGUCTWRNL-QWHCGFSZSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132353 811025240 /nfs/dbraw/zinc/02/52/40/811025240.db2.gz RYAJGUGUCTWRNL-QWHCGFSZSA-N 2 1 267.373 -0.489 20 30 CBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132353 811025250 /nfs/dbraw/zinc/02/52/50/811025250.db2.gz RYAJGUGUCTWRNL-QWHCGFSZSA-N 2 1 267.373 -0.489 20 30 CBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242132 812186710 /nfs/dbraw/zinc/18/67/10/812186710.db2.gz WCTRTRUZYGLKTI-BYNSBNAKSA-N 2 1 291.395 -0.366 20 30 CBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115242132 812186713 /nfs/dbraw/zinc/18/67/13/812186713.db2.gz WCTRTRUZYGLKTI-BYNSBNAKSA-N 2 1 291.395 -0.366 20 30 CBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115242132 812186716 /nfs/dbraw/zinc/18/67/16/812186716.db2.gz WCTRTRUZYGLKTI-BYNSBNAKSA-N 2 1 291.395 -0.366 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122442722 813164772 /nfs/dbraw/zinc/16/47/72/813164772.db2.gz UUYFHZHXEBYUDC-OLZOCXBDSA-N 2 1 265.357 -0.733 20 30 CBEDMP C#CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122442722 813164776 /nfs/dbraw/zinc/16/47/76/813164776.db2.gz UUYFHZHXEBYUDC-OLZOCXBDSA-N 2 1 265.357 -0.733 20 30 CBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124878853 813494636 /nfs/dbraw/zinc/49/46/36/813494636.db2.gz PWKCLRNJAFJEKX-LBPRGKRZSA-N 2 1 255.362 -0.011 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124879602 813495370 /nfs/dbraw/zinc/49/53/70/813495370.db2.gz XIIBAQPUMJSZDA-GFCCVEGCSA-N 2 1 253.346 -0.564 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066354 813709345 /nfs/dbraw/zinc/70/93/45/813709345.db2.gz MEQFNSAOJKVYER-CYBMUJFWSA-N 2 1 296.415 -0.133 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778466 813747513 /nfs/dbraw/zinc/74/75/13/813747513.db2.gz FQPBYENWZLARBF-RYUDHWBXSA-N 2 1 253.346 -0.259 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364140 813838590 /nfs/dbraw/zinc/83/85/90/813838590.db2.gz PXISWSXOQGHVOQ-AWEZNQCLSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535501 813849071 /nfs/dbraw/zinc/84/90/71/813849071.db2.gz VHJBNQISVSUOLC-LBPRGKRZSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCOC ZINC001129770123 813862320 /nfs/dbraw/zinc/86/23/20/813862320.db2.gz BHHFYVNAIKPKHL-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCOC ZINC001129770123 813862324 /nfs/dbraw/zinc/86/23/24/813862324.db2.gz BHHFYVNAIKPKHL-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001129770922 813864077 /nfs/dbraw/zinc/86/40/77/813864077.db2.gz NTPFTCWIFMAJPL-KGLIPLIRSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001129770922 813864087 /nfs/dbraw/zinc/86/40/87/813864087.db2.gz NTPFTCWIFMAJPL-KGLIPLIRSA-N 2 1 279.384 -0.174 20 30 CBEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182751 813912856 /nfs/dbraw/zinc/91/28/56/813912856.db2.gz WHAPXZAXNUTXAM-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182751 813912863 /nfs/dbraw/zinc/91/28/63/813912863.db2.gz WHAPXZAXNUTXAM-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848302 814191826 /nfs/dbraw/zinc/19/18/26/814191826.db2.gz DLYNYTBZHPOUNT-CQSZACIVSA-N 2 1 297.399 -0.549 20 30 CBEDMP C=CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858669 814195812 /nfs/dbraw/zinc/19/58/12/814195812.db2.gz DURBEGUUTQNFBT-GFCCVEGCSA-N 2 1 255.362 -0.013 20 30 CBEDMP C#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859130 814195999 /nfs/dbraw/zinc/19/59/99/814195999.db2.gz WWZGBYVYDQAVJH-GFCCVEGCSA-N 2 1 253.346 -0.565 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886486 814197351 /nfs/dbraw/zinc/19/73/51/814197351.db2.gz ODVFVZXEBKLHGF-STQMWFEESA-N 2 1 294.399 -0.828 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849617 814308603 /nfs/dbraw/zinc/30/86/03/814308603.db2.gz AQCSTRJQVWHVEF-CHWSQXEVSA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997376 815606433 /nfs/dbraw/zinc/60/64/33/815606433.db2.gz OESJDSWKZILQSN-UHFFFAOYSA-N 2 1 294.399 -0.684 20 30 CBEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1CCC1 ZINC001159997099 815606763 /nfs/dbraw/zinc/60/67/63/815606763.db2.gz FWPSFNUYRUPKNP-UHFFFAOYSA-N 2 1 295.387 -0.794 20 30 CBEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862239 815682783 /nfs/dbraw/zinc/68/27/83/815682783.db2.gz IUYGBNLFCDCONG-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862239 815682787 /nfs/dbraw/zinc/68/27/87/815682787.db2.gz IUYGBNLFCDCONG-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001161536320 815768181 /nfs/dbraw/zinc/76/81/81/815768181.db2.gz CAQSIDBORXSYFM-MNOVXSKESA-N 2 1 284.360 -0.434 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162628624 815837604 /nfs/dbraw/zinc/83/76/04/815837604.db2.gz YMRAECIBGUNFFU-UHFFFAOYSA-N 2 1 293.371 -0.410 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001292493791 816455011 /nfs/dbraw/zinc/45/50/11/816455011.db2.gz AGDIYXOHAJHCPL-CYBMUJFWSA-N 2 1 296.415 -0.192 20 30 CBEDMP C[C@H](CNC(=O)NCC#CC[NH+](C)C)C[NH+]1CCOCC1 ZINC001312083538 816849132 /nfs/dbraw/zinc/84/91/32/816849132.db2.gz SCZVFFNEAXSDSF-CQSZACIVSA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317074078 816927991 /nfs/dbraw/zinc/92/79/91/816927991.db2.gz XWFRAABMEZAUGF-IHRRRGAJSA-N 2 1 297.399 -0.244 20 30 CBEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317074078 816927997 /nfs/dbraw/zinc/92/79/97/816927997.db2.gz XWFRAABMEZAUGF-IHRRRGAJSA-N 2 1 297.399 -0.244 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001317397974 816971466 /nfs/dbraw/zinc/97/14/66/816971466.db2.gz ZHUHJSJKDFIPGC-RYUDHWBXSA-N 2 1 280.372 -0.946 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001317397974 816971470 /nfs/dbraw/zinc/97/14/70/816971470.db2.gz ZHUHJSJKDFIPGC-RYUDHWBXSA-N 2 1 280.372 -0.946 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317443333 816980285 /nfs/dbraw/zinc/98/02/85/816980285.db2.gz ORFSHDQPXPPXKM-STQMWFEESA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317443333 816980290 /nfs/dbraw/zinc/98/02/90/816980290.db2.gz ORFSHDQPXPPXKM-STQMWFEESA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317443333 816980299 /nfs/dbraw/zinc/98/02/99/816980299.db2.gz ORFSHDQPXPPXKM-STQMWFEESA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317443333 816980301 /nfs/dbraw/zinc/98/03/01/816980301.db2.gz ORFSHDQPXPPXKM-STQMWFEESA-N 2 1 296.415 -0.181 20 30 CBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317627048 817032486 /nfs/dbraw/zinc/03/24/86/817032486.db2.gz RLTQKADMHAHTEL-CYBMUJFWSA-N 2 1 296.415 -0.322 20 30 CBEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001320231364 817300340 /nfs/dbraw/zinc/30/03/40/817300340.db2.gz MJEVAMIZTHRRNU-RWMBFGLXSA-N 2 1 269.389 -0.031 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#CC ZINC001320235607 817301506 /nfs/dbraw/zinc/30/15/06/817301506.db2.gz PHZNQRBZMUVNFQ-KGLIPLIRSA-N 2 1 277.368 -0.826 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#CC ZINC001320235607 817301514 /nfs/dbraw/zinc/30/15/14/817301514.db2.gz PHZNQRBZMUVNFQ-KGLIPLIRSA-N 2 1 277.368 -0.826 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320295413 817317489 /nfs/dbraw/zinc/31/74/89/817317489.db2.gz JBIBCCXHHZDQMK-NWDGAFQWSA-N 2 1 253.346 -0.972 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320296672 817318991 /nfs/dbraw/zinc/31/89/91/817318991.db2.gz VCAKXJVCUDTLNW-STQMWFEESA-N 2 1 267.373 -0.582 20 30 CBEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001320372900 817329278 /nfs/dbraw/zinc/32/92/78/817329278.db2.gz RSPOOXCRSIGFDT-QWHCGFSZSA-N 2 1 296.415 -0.133 20 30 CBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320921634 817410810 /nfs/dbraw/zinc/41/08/10/817410810.db2.gz OFERAIWGUDIPAZ-LBPRGKRZSA-N 2 1 295.387 -0.984 20 30 CBEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166668284 820012797 /nfs/dbraw/zinc/01/27/97/820012797.db2.gz XUKUZXQFAAVIJJ-GFCCVEGCSA-N 2 1 295.387 -0.936 20 30 CBEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171725514 820368868 /nfs/dbraw/zinc/36/88/68/820368868.db2.gz NNGIIJHTJOKZNW-UHFFFAOYSA-N 2 1 297.403 -0.546 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171757933 820369587 /nfs/dbraw/zinc/36/95/87/820369587.db2.gz PECPAIVCLJRPIQ-UHFFFAOYSA-N 2 1 282.388 -0.827 20 30 CBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171725458 820371013 /nfs/dbraw/zinc/37/10/13/820371013.db2.gz LKZSYNPYTFKZON-UHFFFAOYSA-N 2 1 296.415 -0.436 20 30 CBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176063892 820438126 /nfs/dbraw/zinc/43/81/26/820438126.db2.gz IFNHEXRLKZHAJI-STQMWFEESA-N 2 1 294.399 -0.828 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176096486 820440639 /nfs/dbraw/zinc/44/06/39/820440639.db2.gz SDWWFMYLMQTBHD-CHWSQXEVSA-N 2 1 296.415 -0.275 20 30 CBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821550 820833228 /nfs/dbraw/zinc/83/32/28/820833228.db2.gz BJSFXAXLRXBFJK-KGLIPLIRSA-N 2 1 295.383 -0.843 20 30 CBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821550 820833240 /nfs/dbraw/zinc/83/32/40/820833240.db2.gz BJSFXAXLRXBFJK-KGLIPLIRSA-N 2 1 295.383 -0.843 20 30 CBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821551 820833767 /nfs/dbraw/zinc/83/37/67/820833767.db2.gz BJSFXAXLRXBFJK-ZIAGYGMSSA-N 2 1 295.383 -0.843 20 30 CBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821551 820833773 /nfs/dbraw/zinc/83/37/73/820833773.db2.gz BJSFXAXLRXBFJK-ZIAGYGMSSA-N 2 1 295.383 -0.843 20 30 CBEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185266769 821119835 /nfs/dbraw/zinc/11/98/35/821119835.db2.gz FXZLAPKMUJHYNF-KBPBESRZSA-N 2 1 280.416 -0.001 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCN1C ZINC001185266769 821119837 /nfs/dbraw/zinc/11/98/37/821119837.db2.gz FXZLAPKMUJHYNF-KBPBESRZSA-N 2 1 280.416 -0.001 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCN1C ZINC001185266769 821119841 /nfs/dbraw/zinc/11/98/41/821119841.db2.gz FXZLAPKMUJHYNF-KBPBESRZSA-N 2 1 280.416 -0.001 20 30 CBEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186056341 821165438 /nfs/dbraw/zinc/16/54/38/821165438.db2.gz XWXFHFISUIHKPD-STQMWFEESA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186056341 821165444 /nfs/dbraw/zinc/16/54/44/821165444.db2.gz XWXFHFISUIHKPD-STQMWFEESA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](O)C1 ZINC001186056341 821165450 /nfs/dbraw/zinc/16/54/50/821165450.db2.gz XWXFHFISUIHKPD-STQMWFEESA-N 2 1 267.373 -0.180 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](O)C1 ZINC001186056341 821165453 /nfs/dbraw/zinc/16/54/53/821165453.db2.gz XWXFHFISUIHKPD-STQMWFEESA-N 2 1 267.373 -0.180 20 30 CBEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001280473375 828355704 /nfs/dbraw/zinc/35/57/04/828355704.db2.gz PPWMIZVQCKZGKF-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001280473375 828355714 /nfs/dbraw/zinc/35/57/14/828355714.db2.gz PPWMIZVQCKZGKF-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CCO1 ZINC001280595714 828364506 /nfs/dbraw/zinc/36/45/06/828364506.db2.gz OPPALTPBIJNCFH-CABCVRRESA-N 2 1 289.379 -0.466 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CCO1 ZINC001280595714 828364513 /nfs/dbraw/zinc/36/45/13/828364513.db2.gz OPPALTPBIJNCFH-CABCVRRESA-N 2 1 289.379 -0.466 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001280648724 828368445 /nfs/dbraw/zinc/36/84/45/828368445.db2.gz OAPMWJHIQDCGJA-CQSZACIVSA-N 2 1 295.383 -0.841 20 30 CBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001281161926 828405676 /nfs/dbraw/zinc/40/56/76/828405676.db2.gz AXZFCFXDFJJIBT-HOCLYGCPSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)NCC#N ZINC001282494884 828448416 /nfs/dbraw/zinc/44/84/16/828448416.db2.gz CJPUIPQAXWBHBR-LBPRGKRZSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC(=O)NCC#N ZINC001282494884 828448419 /nfs/dbraw/zinc/44/84/19/828448419.db2.gz CJPUIPQAXWBHBR-LBPRGKRZSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC#N ZINC001282494884 828448423 /nfs/dbraw/zinc/44/84/23/828448423.db2.gz CJPUIPQAXWBHBR-LBPRGKRZSA-N 2 1 297.403 -0.597 20 30 CBEDMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC#N ZINC001282494884 828448426 /nfs/dbraw/zinc/44/84/26/828448426.db2.gz CJPUIPQAXWBHBR-LBPRGKRZSA-N 2 1 297.403 -0.597 20 30 CBEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283421227 828518689 /nfs/dbraw/zinc/51/86/89/828518689.db2.gz HVQMGUDITXUBRV-ZDUSSCGKSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283421227 828518692 /nfs/dbraw/zinc/51/86/92/828518692.db2.gz HVQMGUDITXUBRV-ZDUSSCGKSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001283764171 828544873 /nfs/dbraw/zinc/54/48/73/828544873.db2.gz KHEJJERFDWKCPM-GJZGRUSLSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001283764171 828544876 /nfs/dbraw/zinc/54/48/76/828544876.db2.gz KHEJJERFDWKCPM-GJZGRUSLSA-N 2 1 293.411 -0.049 20 30 CBEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794690 823774935 /nfs/dbraw/zinc/77/49/35/823774935.db2.gz VLFBKKXHHPGUAZ-UONOGXRCSA-N 2 1 279.384 -0.270 20 30 CBEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192143406 823952848 /nfs/dbraw/zinc/95/28/48/823952848.db2.gz NDWAYPZGIPTDHK-LBPRGKRZSA-N 2 1 295.387 -0.889 20 30 CBEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192143406 823952847 /nfs/dbraw/zinc/95/28/47/823952847.db2.gz NDWAYPZGIPTDHK-LBPRGKRZSA-N 2 1 295.387 -0.889 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284467261 828599540 /nfs/dbraw/zinc/59/95/40/828599540.db2.gz HZFYHZJLVBQCDC-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284467261 828599546 /nfs/dbraw/zinc/59/95/46/828599546.db2.gz HZFYHZJLVBQCDC-ZIAGYGMSSA-N 2 1 299.415 -0.308 20 30 CBEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCOC ZINC001284669324 828617988 /nfs/dbraw/zinc/61/79/88/828617988.db2.gz VPYAIYIRTZAERP-CYBMUJFWSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCOC ZINC001284669324 828617993 /nfs/dbraw/zinc/61/79/93/828617993.db2.gz VPYAIYIRTZAERP-CYBMUJFWSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCOC ZINC001284669324 828617996 /nfs/dbraw/zinc/61/79/96/828617996.db2.gz VPYAIYIRTZAERP-CYBMUJFWSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCOC ZINC001284669324 828618000 /nfs/dbraw/zinc/61/80/00/828618000.db2.gz VPYAIYIRTZAERP-CYBMUJFWSA-N 2 1 267.373 -0.364 20 30 CBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023391 824246377 /nfs/dbraw/zinc/24/63/77/824246377.db2.gz HNSYRHKVNITZNC-ZIAGYGMSSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023391 824246386 /nfs/dbraw/zinc/24/63/86/824246386.db2.gz HNSYRHKVNITZNC-ZIAGYGMSSA-N 2 1 279.384 -0.343 20 30 CBEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199942994 824297386 /nfs/dbraw/zinc/29/73/86/824297386.db2.gz DEUPSEZLBVAOSW-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942994 824297392 /nfs/dbraw/zinc/29/73/92/824297392.db2.gz DEUPSEZLBVAOSW-CQSZACIVSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200114344 824306507 /nfs/dbraw/zinc/30/65/07/824306507.db2.gz CPTIOULLDQLWKJ-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182309 824311363 /nfs/dbraw/zinc/31/13/63/824311363.db2.gz PLLQCWGDYZCBMP-UONOGXRCSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182309 824311367 /nfs/dbraw/zinc/31/13/67/824311367.db2.gz PLLQCWGDYZCBMP-UONOGXRCSA-N 2 1 295.383 -0.843 20 30 CBEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200181523 824312075 /nfs/dbraw/zinc/31/20/75/824312075.db2.gz JJTPAYQMSOAHHH-UONOGXRCSA-N 2 1 297.399 -0.290 20 30 CBEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200181523 824312077 /nfs/dbraw/zinc/31/20/77/824312077.db2.gz JJTPAYQMSOAHHH-UONOGXRCSA-N 2 1 297.399 -0.290 20 30 CBEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204881538 824371830 /nfs/dbraw/zinc/37/18/30/824371830.db2.gz DKIKLILXDIYUKQ-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204881538 824371832 /nfs/dbraw/zinc/37/18/32/824371832.db2.gz DKIKLILXDIYUKQ-AWEZNQCLSA-N 2 1 279.384 -0.222 20 30 CBEDMP C=CCN(CC[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1)C(=O)OCC ZINC001206512430 824401544 /nfs/dbraw/zinc/40/15/44/824401544.db2.gz OWGNIOBLOBKEOL-RYUDHWBXSA-N 2 1 271.361 -0.118 20 30 CBEDMP C=CCN(CC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1)C(=O)OCC ZINC001206512430 824401548 /nfs/dbraw/zinc/40/15/48/824401548.db2.gz OWGNIOBLOBKEOL-RYUDHWBXSA-N 2 1 271.361 -0.118 20 30 CBEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735071 824437139 /nfs/dbraw/zinc/43/71/39/824437139.db2.gz VKVWOJKXJFZLLR-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735071 824437143 /nfs/dbraw/zinc/43/71/43/824437143.db2.gz VKVWOJKXJFZLLR-KBPBESRZSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734866 824437726 /nfs/dbraw/zinc/43/77/26/824437726.db2.gz PUFRFGSZCCIUFU-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734866 824437729 /nfs/dbraw/zinc/43/77/29/824437729.db2.gz PUFRFGSZCCIUFU-KGLIPLIRSA-N 2 1 279.384 -0.079 20 30 CBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388687 824530429 /nfs/dbraw/zinc/53/04/29/824530429.db2.gz HLVCSTHCUJXLRC-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388687 824530430 /nfs/dbraw/zinc/53/04/30/824530430.db2.gz HLVCSTHCUJXLRC-MCIONIFRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386742 824530944 /nfs/dbraw/zinc/53/09/44/824530944.db2.gz LQBQZNCJPOHTKL-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386742 824530947 /nfs/dbraw/zinc/53/09/47/824530947.db2.gz LQBQZNCJPOHTKL-MGPQQGTHSA-N 2 1 279.384 -0.223 20 30 CBEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600064 824602253 /nfs/dbraw/zinc/60/22/53/824602253.db2.gz HSMIKZWVTISTJC-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600064 824602258 /nfs/dbraw/zinc/60/22/58/824602258.db2.gz HSMIKZWVTISTJC-UONOGXRCSA-N 2 1 279.384 -0.127 20 30 CBEDMP N=C(c1ccccc1N)N(O)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218966922 824651255 /nfs/dbraw/zinc/65/12/55/824651255.db2.gz YYAMBXMCQLWNPA-SNVBAGLBSA-N 2 1 265.317 -0.122 20 30 CBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238376 824991167 /nfs/dbraw/zinc/99/11/67/824991167.db2.gz UAJVIMOQYXVOAC-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP C=C[C@H]1C[C@]1(NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)OCC ZINC001220571568 825065202 /nfs/dbraw/zinc/06/52/02/825065202.db2.gz URQRQEMRYRALAQ-HOTUBEGUSA-N 2 1 255.318 -0.714 20 30 CBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807310 825104119 /nfs/dbraw/zinc/10/41/19/825104119.db2.gz VGTDFTOLPYSEGJ-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807310 825104120 /nfs/dbraw/zinc/10/41/20/825104120.db2.gz VGTDFTOLPYSEGJ-OLZOCXBDSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220829656 825108124 /nfs/dbraw/zinc/10/81/24/825108124.db2.gz YJEABFXMOFXCIH-KGLIPLIRSA-N 2 1 299.415 -0.308 20 30 CBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O ZINC001220829528 825108190 /nfs/dbraw/zinc/10/81/90/825108190.db2.gz WDTJNRNNPMURBN-KGLIPLIRSA-N 2 1 297.399 -0.861 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220868376 825114833 /nfs/dbraw/zinc/11/48/33/825114833.db2.gz HOZAMVXKPBIPLH-STQMWFEESA-N 2 1 294.399 -0.917 20 30 CBEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220868409 825115720 /nfs/dbraw/zinc/11/57/20/825115720.db2.gz ILDRJHOALDAQFJ-SYTFOFBDSA-N 2 1 287.429 -0.151 20 30 CBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220868409 825115724 /nfs/dbraw/zinc/11/57/24/825115724.db2.gz ILDRJHOALDAQFJ-SYTFOFBDSA-N 2 1 287.429 -0.151 20 30 CBEDMP C=CCOC[C@@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246022713 825624149 /nfs/dbraw/zinc/62/41/49/825624149.db2.gz AVLCBCMHKIDSAF-STQMWFEESA-N 2 1 255.362 -0.813 20 30 CBEDMP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246028090 825625825 /nfs/dbraw/zinc/62/58/25/825625825.db2.gz ZUZCCXFNIWBUMN-OLZOCXBDSA-N 2 1 256.346 -0.827 20 30 CBEDMP N#C[C@@H]1CC[C@H]([NH+]2CCNCC[NH2+]CCNCC2)C1 ZINC001246820217 825716021 /nfs/dbraw/zinc/71/60/21/825716021.db2.gz JNNHIGRDXWVZJM-KGLIPLIRSA-N 2 1 265.405 -0.237 20 30 CBEDMP C=CCOC[C@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252471434 825868578 /nfs/dbraw/zinc/86/85/78/825868578.db2.gz XNVRSYWQMBJMGV-CQSZACIVSA-N 2 1 271.405 -0.271 20 30 CBEDMP C=CCOC[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252488780 825872190 /nfs/dbraw/zinc/87/21/90/825872190.db2.gz SFEWDUXIKPVMBF-CQSZACIVSA-N 2 1 271.405 -0.223 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266515366 827015150 /nfs/dbraw/zinc/01/51/50/827015150.db2.gz WOMKPGYNNJTFBC-STQMWFEESA-N 2 1 292.383 -0.980 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266585046 827027532 /nfs/dbraw/zinc/02/75/32/827027532.db2.gz SNLYGMOXRWRUDZ-AVGNSLFASA-N 2 1 265.357 -0.423 20 30 CBEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266585046 827027541 /nfs/dbraw/zinc/02/75/41/827027541.db2.gz SNLYGMOXRWRUDZ-AVGNSLFASA-N 2 1 265.357 -0.423 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266673927 827046470 /nfs/dbraw/zinc/04/64/70/827046470.db2.gz HDVRPVOGYAQRMU-XQQFMLRXSA-N 2 1 292.383 -0.933 20 30 CBEDMP C#CC[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001267148218 827117941 /nfs/dbraw/zinc/11/79/41/827117941.db2.gz POBCVPJPRNOQSU-ZDUSSCGKSA-N 2 1 267.373 -0.174 20 30 CBEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268308063 827291989 /nfs/dbraw/zinc/29/19/89/827291989.db2.gz MPIZWIKRZGNMKP-FRRDWIJNSA-N 2 1 267.373 -0.583 20 30 CBEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001268328738 827303326 /nfs/dbraw/zinc/30/33/26/827303326.db2.gz ONBVYKFSNWSAOE-CYBMUJFWSA-N 2 1 285.388 -0.649 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H](C)O ZINC001268459672 827334193 /nfs/dbraw/zinc/33/41/93/827334193.db2.gz ZOWCQRAXAWJFRF-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H](C)O ZINC001268459672 827334202 /nfs/dbraw/zinc/33/42/02/827334202.db2.gz ZOWCQRAXAWJFRF-KBPBESRZSA-N 2 1 281.400 -0.097 20 30 CBEDMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268673947 827400259 /nfs/dbraw/zinc/40/02/59/827400259.db2.gz IHOVHROKAWRUGN-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268673947 827400261 /nfs/dbraw/zinc/40/02/61/827400261.db2.gz IHOVHROKAWRUGN-VXGBXAGGSA-N 2 1 255.362 -0.013 20 30 CBEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268684828 827402368 /nfs/dbraw/zinc/40/23/68/827402368.db2.gz VEEGQNRDVSNRPX-QWHCGFSZSA-N 2 1 285.388 -0.386 20 30 CBEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268684828 827402371 /nfs/dbraw/zinc/40/23/71/827402371.db2.gz VEEGQNRDVSNRPX-QWHCGFSZSA-N 2 1 285.388 -0.386 20 30 CBEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCO)CC1 ZINC001270331642 827558909 /nfs/dbraw/zinc/55/89/09/827558909.db2.gz KMLGZNJFZPDWRN-OAHLLOKOSA-N 2 1 293.411 -0.001 20 30 CBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001271191678 827674314 /nfs/dbraw/zinc/67/43/14/827674314.db2.gz GKCGSWKTQMRPJK-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001271191678 827674315 /nfs/dbraw/zinc/67/43/15/827674315.db2.gz GKCGSWKTQMRPJK-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001271191678 827674317 /nfs/dbraw/zinc/67/43/17/827674317.db2.gz GKCGSWKTQMRPJK-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001271220266 827678179 /nfs/dbraw/zinc/67/81/79/827678179.db2.gz MRSORGWYAWQZSS-HNNXBMFYSA-N 2 1 290.367 -0.232 20 30 CBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001271220266 827678181 /nfs/dbraw/zinc/67/81/81/827678181.db2.gz MRSORGWYAWQZSS-HNNXBMFYSA-N 2 1 290.367 -0.232 20 30 CBEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001271931765 827735337 /nfs/dbraw/zinc/73/53/37/827735337.db2.gz GFMNYJSIEUUCRG-CQSZACIVSA-N 2 1 292.427 -0.259 20 30 CBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001273244372 827876906 /nfs/dbraw/zinc/87/69/06/827876906.db2.gz PZBQWKOQVNNQPT-KBPBESRZSA-N 2 1 295.383 -0.843 20 30 CBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001273929446 827942526 /nfs/dbraw/zinc/94/25/26/827942526.db2.gz KMBZTXUJGTWPLO-GOEBONIOSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001274689970 828020530 /nfs/dbraw/zinc/02/05/30/828020530.db2.gz OXVGXDKFUNSQMQ-QWHCGFSZSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274942281 828043978 /nfs/dbraw/zinc/04/39/78/828043978.db2.gz WDHSEHMFRWXFAO-CQSZACIVSA-N 2 1 293.411 -0.096 20 30 CBEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001275098340 828057517 /nfs/dbraw/zinc/05/75/17/828057517.db2.gz CPYLLACIDYDJPR-STQMWFEESA-N 2 1 267.373 -0.175 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001275919749 828123135 /nfs/dbraw/zinc/12/31/35/828123135.db2.gz FWFFSTYICGMNBZ-CHWSQXEVSA-N 2 1 296.415 -0.488 20 30 CBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001275919749 828123137 /nfs/dbraw/zinc/12/31/37/828123137.db2.gz FWFFSTYICGMNBZ-CHWSQXEVSA-N 2 1 296.415 -0.488 20 30 CBEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001276956677 828167958 /nfs/dbraw/zinc/16/79/58/828167958.db2.gz QEBZJXCQFZLWCD-AVGNSLFASA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001276956677 828167964 /nfs/dbraw/zinc/16/79/64/828167964.db2.gz QEBZJXCQFZLWCD-AVGNSLFASA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277629164 828198992 /nfs/dbraw/zinc/19/89/92/828198992.db2.gz FVDMMGDNRFMMKO-KGLIPLIRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277629164 828198993 /nfs/dbraw/zinc/19/89/93/828198993.db2.gz FVDMMGDNRFMMKO-KGLIPLIRSA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001278202673 828258829 /nfs/dbraw/zinc/25/88/29/828258829.db2.gz TVVIWADGWPUPAR-CABCVRRESA-N 2 1 289.379 -0.011 20 30 CBEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278780237 828288196 /nfs/dbraw/zinc/28/81/96/828288196.db2.gz ZMZOYZDABUCEIW-GFCCVEGCSA-N 2 1 266.345 -0.214 20 30 CBEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001278829005 828293547 /nfs/dbraw/zinc/29/35/47/828293547.db2.gz SFWSJKYQQSNGHZ-AWEZNQCLSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278829005 828293552 /nfs/dbraw/zinc/29/35/52/828293552.db2.gz SFWSJKYQQSNGHZ-AWEZNQCLSA-N 2 1 267.373 -0.487 20 30 CBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278829005 828293557 /nfs/dbraw/zinc/29/35/57/828293557.db2.gz SFWSJKYQQSNGHZ-AWEZNQCLSA-N 2 1 267.373 -0.487 20 30 CBEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001278849272 828297461 /nfs/dbraw/zinc/29/74/61/828297461.db2.gz AVPRBRZGYQFZCZ-CHWSQXEVSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001278849272 828297465 /nfs/dbraw/zinc/29/74/65/828297465.db2.gz AVPRBRZGYQFZCZ-CHWSQXEVSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278849272 828297470 /nfs/dbraw/zinc/29/74/70/828297470.db2.gz AVPRBRZGYQFZCZ-CHWSQXEVSA-N 2 1 285.388 -0.746 20 30 CBEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278849272 828297475 /nfs/dbraw/zinc/29/74/75/828297475.db2.gz AVPRBRZGYQFZCZ-CHWSQXEVSA-N 2 1 285.388 -0.746 20 30 CBEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001278860360 828300148 /nfs/dbraw/zinc/30/01/48/828300148.db2.gz VGDICYMWGPYBFW-KGLIPLIRSA-N 2 1 283.416 -0.043 20 30 CBEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001279531173 828330287 /nfs/dbraw/zinc/33/02/87/828330287.db2.gz ZHESSTWNELRBLP-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001279531173 828330297 /nfs/dbraw/zinc/33/02/97/828330297.db2.gz ZHESSTWNELRBLP-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001279531173 828330302 /nfs/dbraw/zinc/33/03/02/828330302.db2.gz ZHESSTWNELRBLP-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001279531173 828330307 /nfs/dbraw/zinc/33/03/07/828330307.db2.gz ZHESSTWNELRBLP-ZBFHGGJFSA-N 2 1 293.411 -0.096 20 30 CBEDMP C#CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001328927584 885849604 /nfs/dbraw/zinc/84/96/04/885849604.db2.gz OROBZZBFHQCHHP-UHFFFAOYSA-N 2 1 279.384 -0.174 20 30 CBEDMP C#CCC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001331112492 886678801 /nfs/dbraw/zinc/67/88/01/886678801.db2.gz ZXZIRUULJFNVJA-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001331112492 886678808 /nfs/dbraw/zinc/67/88/08/886678808.db2.gz ZXZIRUULJFNVJA-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001331112492 886678814 /nfs/dbraw/zinc/67/88/14/886678814.db2.gz ZXZIRUULJFNVJA-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001331112492 886678826 /nfs/dbraw/zinc/67/88/26/886678826.db2.gz ZXZIRUULJFNVJA-CQSZACIVSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001331725906 886939498 /nfs/dbraw/zinc/93/94/98/886939498.db2.gz QXRBLMKFOJPYHD-ZIAGYGMSSA-N 2 1 281.400 -0.049 20 30 CBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329202503 885965956 /nfs/dbraw/zinc/96/59/56/885965956.db2.gz KYRJKTFYPPETET-NWDGAFQWSA-N 2 1 297.403 -0.551 20 30 CBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001331683433 886904578 /nfs/dbraw/zinc/90/45/78/886904578.db2.gz KFEWTOBUCSUDNF-RYUDHWBXSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001331712426 886927012 /nfs/dbraw/zinc/92/70/12/886927012.db2.gz OIYBTYNMJJXUDT-JHJVBQTASA-N 2 1 267.373 -0.583 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC=C ZINC001332522653 887334788 /nfs/dbraw/zinc/33/47/88/887334788.db2.gz OPESXXWHWTWZFH-KBPBESRZSA-N 2 1 279.384 -0.321 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC=C ZINC001332522653 887334803 /nfs/dbraw/zinc/33/48/03/887334803.db2.gz OPESXXWHWTWZFH-KBPBESRZSA-N 2 1 279.384 -0.321 20 30 CBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001332522067 887337211 /nfs/dbraw/zinc/33/72/11/887337211.db2.gz MLUMXSLZPIBWLE-ZIAGYGMSSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001332676439 887400277 /nfs/dbraw/zinc/40/02/77/887400277.db2.gz CDRDYXJFDRPQEZ-AWEZNQCLSA-N 2 1 292.383 -0.034 20 30 CBEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676439 887400286 /nfs/dbraw/zinc/40/02/86/887400286.db2.gz CDRDYXJFDRPQEZ-AWEZNQCLSA-N 2 1 292.383 -0.034 20 30 CBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676439 887400295 /nfs/dbraw/zinc/40/02/95/887400295.db2.gz CDRDYXJFDRPQEZ-AWEZNQCLSA-N 2 1 292.383 -0.034 20 30 CBEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001332677412 887401145 /nfs/dbraw/zinc/40/11/45/887401145.db2.gz RPAXTRFNMWPDEB-CYBMUJFWSA-N 2 1 269.389 -0.289 20 30 CBEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001333268695 887576488 /nfs/dbraw/zinc/57/64/88/887576488.db2.gz CELFTIACHMVEFG-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001333268695 887576497 /nfs/dbraw/zinc/57/64/97/887576497.db2.gz CELFTIACHMVEFG-AWEZNQCLSA-N 2 1 297.399 -0.595 20 30 CBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001336734628 888860852 /nfs/dbraw/zinc/86/08/52/888860852.db2.gz XSZWMOANMWNMKL-STQMWFEESA-N 2 1 254.378 -0.266 20 30 CBEDMP C=CCCC[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001357351665 891873234 /nfs/dbraw/zinc/87/32/34/891873234.db2.gz VSCVGVNRQHJZEG-ZDUSSCGKSA-N 2 1 296.415 -0.050 20 30 CBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001502581339 921370791 /nfs/dbraw/zinc/37/07/91/921370791.db2.gz YCBXHUCAXJUMOB-UKRRQHHQSA-N 2 1 279.384 -0.343 20 30 CBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001502600567 921371082 /nfs/dbraw/zinc/37/10/82/921371082.db2.gz XSPMTENXXKFRQN-HNNXBMFYSA-N 2 1 290.367 -0.232 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001507478067 921843601 /nfs/dbraw/zinc/84/36/01/921843601.db2.gz DZTBPRPBFQCYDJ-HZSPNIEDSA-N 2 1 281.400 -0.241 20 30 CBEDMP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001507059193 921665010 /nfs/dbraw/zinc/66/50/10/921665010.db2.gz CQDGBOHTOTUZCU-ZIAGYGMSSA-N 2 1 299.415 -0.044 20 30 CBEDMP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001507059193 921665016 /nfs/dbraw/zinc/66/50/16/921665016.db2.gz CQDGBOHTOTUZCU-ZIAGYGMSSA-N 2 1 299.415 -0.044 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001507202079 921735934 /nfs/dbraw/zinc/73/59/34/921735934.db2.gz IKGANVKGDNOZKH-PBYRWIMMSA-N 2 1 299.802 -0.097 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001507202079 921735947 /nfs/dbraw/zinc/73/59/47/921735947.db2.gz IKGANVKGDNOZKH-PBYRWIMMSA-N 2 1 299.802 -0.097 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001507228911 921760476 /nfs/dbraw/zinc/76/04/76/921760476.db2.gz XSVYBJDCRJRREK-KGLIPLIRSA-N 2 1 281.400 -0.192 20 30 CBEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001507228913 921761678 /nfs/dbraw/zinc/76/16/78/921761678.db2.gz XSVYBJDCRJRREK-ZIAGYGMSSA-N 2 1 281.400 -0.192 20 30 CBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001507261124 921792479 /nfs/dbraw/zinc/79/24/79/921792479.db2.gz PHRRVWGGWYZFSS-LBPRGKRZSA-N 2 1 264.329 -0.718 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507262106 921792337 /nfs/dbraw/zinc/79/23/37/921792337.db2.gz VOTQWPGNRHJKGO-GHMZBOCLSA-N 2 1 275.780 -0.243 20 30 CBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507262106 921792345 /nfs/dbraw/zinc/79/23/45/921792345.db2.gz VOTQWPGNRHJKGO-GHMZBOCLSA-N 2 1 275.780 -0.243 20 30 CBEDMP C[NH+](C)CC#CCNC(=O)NCCC[NH+]1CCOCC1 ZINC001477261171 916002528 /nfs/dbraw/zinc/00/25/28/916002528.db2.gz GFDLERHMDFHQIO-UHFFFAOYSA-N 2 1 282.388 -0.427 20 30 CBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001480120721 916292706 /nfs/dbraw/zinc/29/27/06/916292706.db2.gz RIHWPKPNYKVIJH-ZDUSSCGKSA-N 2 1 294.399 -0.732 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482796798 917285804 /nfs/dbraw/zinc/28/58/04/917285804.db2.gz DQBKGNIYRPYEMQ-CHWSQXEVSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482796798 917285812 /nfs/dbraw/zinc/28/58/12/917285812.db2.gz DQBKGNIYRPYEMQ-CHWSQXEVSA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482796801 917287562 /nfs/dbraw/zinc/28/75/62/917287562.db2.gz DQBKGNIYRPYEMQ-STQMWFEESA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482796801 917287572 /nfs/dbraw/zinc/28/75/72/917287572.db2.gz DQBKGNIYRPYEMQ-STQMWFEESA-N 2 1 285.388 -0.650 20 30 CBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483266364 917500377 /nfs/dbraw/zinc/50/03/77/917500377.db2.gz JBTUGJYLQGRCNF-STQMWFEESA-N 2 1 296.415 -0.275 20 30 CBEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001483793163 917679832 /nfs/dbraw/zinc/67/98/32/917679832.db2.gz WRKOERHQAAUHJE-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001483793163 917679840 /nfs/dbraw/zinc/67/98/40/917679840.db2.gz WRKOERHQAAUHJE-CYBMUJFWSA-N 2 1 279.384 -0.031 20 30 CBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001484483933 917870607 /nfs/dbraw/zinc/87/06/07/917870607.db2.gz GLIOKQTVCINKRL-CQSZACIVSA-N 2 1 281.400 -0.096 20 30 CBEDMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001485088907 917990231 /nfs/dbraw/zinc/99/02/31/917990231.db2.gz QEBZJXCQFZLWCD-WXRRBKDZSA-N 2 1 267.373 -0.013 20 30 CBEDMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001485088907 917990248 /nfs/dbraw/zinc/99/02/48/917990248.db2.gz QEBZJXCQFZLWCD-WXRRBKDZSA-N 2 1 267.373 -0.013 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001486008331 918304333 /nfs/dbraw/zinc/30/43/33/918304333.db2.gz IKVVRCJOONACDD-RYUDHWBXSA-N 2 1 253.346 -0.829 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486008331 918304350 /nfs/dbraw/zinc/30/43/50/918304350.db2.gz IKVVRCJOONACDD-RYUDHWBXSA-N 2 1 253.346 -0.829 20 30 CBEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001486034820 918328657 /nfs/dbraw/zinc/32/86/57/918328657.db2.gz VHMGPHZXURZDTK-QWHCGFSZSA-N 2 1 269.389 -0.029 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001486066321 918354440 /nfs/dbraw/zinc/35/44/40/918354440.db2.gz RXRJIQSLTICIPC-HNNXBMFYSA-N 2 1 289.379 -0.182 20 30 CBEDMP C#CC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001486066321 918354458 /nfs/dbraw/zinc/35/44/58/918354458.db2.gz RXRJIQSLTICIPC-HNNXBMFYSA-N 2 1 289.379 -0.182 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486268938 918402457 /nfs/dbraw/zinc/40/24/57/918402457.db2.gz WAUBYECIGOXBHT-QWHCGFSZSA-N 2 1 285.388 -0.698 20 30 CBEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486268938 918402465 /nfs/dbraw/zinc/40/24/65/918402465.db2.gz WAUBYECIGOXBHT-QWHCGFSZSA-N 2 1 285.388 -0.698 20 30 CBEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490648019 918950509 /nfs/dbraw/zinc/95/05/09/918950509.db2.gz GXADFLORBDBVHK-ZIAGYGMSSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490648019 918950518 /nfs/dbraw/zinc/95/05/18/918950518.db2.gz GXADFLORBDBVHK-ZIAGYGMSSA-N 2 1 279.384 -0.175 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC ZINC001491486619 919182125 /nfs/dbraw/zinc/18/21/25/919182125.db2.gz LYHQDEAPTBJQBC-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC ZINC001491486619 919182140 /nfs/dbraw/zinc/18/21/40/919182140.db2.gz LYHQDEAPTBJQBC-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC ZINC001491486618 919182695 /nfs/dbraw/zinc/18/26/95/919182695.db2.gz LYHQDEAPTBJQBC-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC ZINC001491486618 919182704 /nfs/dbraw/zinc/18/27/04/919182704.db2.gz LYHQDEAPTBJQBC-OLZOCXBDSA-N 2 1 294.399 -0.686 20 30 CBEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001491675485 919250886 /nfs/dbraw/zinc/25/08/86/919250886.db2.gz UKMROHIJBIXDNT-LLVKDONJSA-N 2 1 293.371 -0.412 20 30 CBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001493601399 919590064 /nfs/dbraw/zinc/59/00/64/919590064.db2.gz ZSUKUDLOCQEHJI-GFCCVEGCSA-N 2 1 295.387 -0.842 20 30 CBEDMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC#CCOC ZINC001494960991 919826014 /nfs/dbraw/zinc/82/60/14/919826014.db2.gz YYGMSDJLYFMLHX-ZIAGYGMSSA-N 2 1 297.399 -0.549 20 30 CBEDMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC#CCOC ZINC001494960991 919826022 /nfs/dbraw/zinc/82/60/22/919826022.db2.gz YYGMSDJLYFMLHX-ZIAGYGMSSA-N 2 1 297.399 -0.549 20 30 CBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001498060060 920462293 /nfs/dbraw/zinc/46/22/93/920462293.db2.gz LYFRFRFIASJABN-STQMWFEESA-N 2 1 294.399 -0.686 20 30 CBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500750482 920879025 /nfs/dbraw/zinc/87/90/25/920879025.db2.gz FJYGUKBJKXZNFJ-OAHLLOKOSA-N 2 1 277.368 -0.732 20 30 CBEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001507487173 921849032 /nfs/dbraw/zinc/84/90/32/921849032.db2.gz HMVTZUIJPDTDBM-UONOGXRCSA-N 2 1 281.400 -0.097 20 30 CBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001507598065 921880937 /nfs/dbraw/zinc/88/09/37/921880937.db2.gz DBQNQIPPAXINEZ-ZIAGYGMSSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001507598065 921880958 /nfs/dbraw/zinc/88/09/58/921880958.db2.gz DBQNQIPPAXINEZ-ZIAGYGMSSA-N 2 1 281.400 -0.145 20 30 CBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001507598065 921880974 /nfs/dbraw/zinc/88/09/74/921880974.db2.gz DBQNQIPPAXINEZ-ZIAGYGMSSA-N 2 1 281.400 -0.145 20 30 CBEDMP OC1CC[NH+](CC#CC[NH+]2CCC(O)CC2)CC1 ZINC000351617828 353477050 /nfs/dbraw/zinc/47/70/50/353477050.db2.gz ZUBNNVBCPFQAPA-UHFFFAOYSA-N 2 1 252.358 -0.097 20 30 CBEDMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160301 354211691 /nfs/dbraw/zinc/21/16/91/354211691.db2.gz UDSMIECFFNFUEN-LLVKDONJSA-N 2 1 256.350 -0.298 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430936971 354251530 /nfs/dbraw/zinc/25/15/30/354251530.db2.gz YHDVPZSXBLVPFV-VHSXEESVSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430936971 354251533 /nfs/dbraw/zinc/25/15/33/354251533.db2.gz YHDVPZSXBLVPFV-VHSXEESVSA-N 2 1 254.334 -0.333 20 30 CBEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000595974922 355333264 /nfs/dbraw/zinc/33/32/64/355333264.db2.gz BTXGDTAZRBDLJU-KBPBESRZSA-N 2 1 293.415 -0.096 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131587828 220212441 /nfs/dbraw/zinc/21/24/41/220212441.db2.gz CKIILJRSVXDSQB-VHSXEESVSA-N 2 1 254.334 -0.333 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131587828 220212446 /nfs/dbraw/zinc/21/24/46/220212446.db2.gz CKIILJRSVXDSQB-VHSXEESVSA-N 2 1 254.334 -0.333 20 30 CBEDMP C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@@H]1CCC[N@H+]1C ZINC000262452013 220251420 /nfs/dbraw/zinc/25/14/20/220251420.db2.gz UUDACHLRDLCBPW-STQMWFEESA-N 2 1 294.403 -0.287 20 30 CBEDMP C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262786628 220257673 /nfs/dbraw/zinc/25/76/73/220257673.db2.gz MKWJUWUIVDXANT-LLVKDONJSA-N 2 1 281.404 -0.087 20 30 CBEDMP C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262786628 220257678 /nfs/dbraw/zinc/25/76/78/220257678.db2.gz MKWJUWUIVDXANT-LLVKDONJSA-N 2 1 281.404 -0.087 20 30 CBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303985266 220324929 /nfs/dbraw/zinc/32/49/29/220324929.db2.gz SUPXAANYJWBUDC-OLZOCXBDSA-N 2 1 283.420 -0.294 20 30 CBEDMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]2C1 ZINC000332659323 220383703 /nfs/dbraw/zinc/38/37/03/220383703.db2.gz AXNGAMURSGCMQU-AVGNSLFASA-N 2 1 280.372 -0.061 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150714 176044865 /nfs/dbraw/zinc/04/48/65/176044865.db2.gz YGCMTNUBAHHUCL-GFCCVEGCSA-N 2 1 254.378 -0.486 20 30 CBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150714 176044867 /nfs/dbraw/zinc/04/48/67/176044867.db2.gz YGCMTNUBAHHUCL-GFCCVEGCSA-N 2 1 254.378 -0.486 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC1 ZINC000491546003 332235281 /nfs/dbraw/zinc/23/52/81/332235281.db2.gz TXGRJNSBLZUXIE-UHFFFAOYSA-N 2 1 252.362 -0.054 20 30 CBEDMP C#CCN1CCN(C(=O)C[N@H+](CC)[C@H](C)CO)CC1 ZINC000491706767 332299695 /nfs/dbraw/zinc/29/96/95/332299695.db2.gz MJGYYKXUVPDOIK-CYBMUJFWSA-N 2 1 267.373 -0.534 20 30 CBEDMP C#CCN1CCN(C(=O)CN(CC)[C@H](C)CO)CC1 ZINC000491706767 332299697 /nfs/dbraw/zinc/29/96/97/332299697.db2.gz MJGYYKXUVPDOIK-CYBMUJFWSA-N 2 1 267.373 -0.534 20 30 CBEDMP C#CCNC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000491786657 332349294 /nfs/dbraw/zinc/34/92/94/332349294.db2.gz UQEFTVVCZYHEBT-GFCCVEGCSA-N 2 1 253.346 -0.828 20 30 CBEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000104174651 582113174 /nfs/dbraw/zinc/11/31/74/582113174.db2.gz XZMVHUOHMPJFHI-AWEZNQCLSA-N 2 1 297.447 -0.093 20 30 CBEDMP CCCNC(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104177729 582113314 /nfs/dbraw/zinc/11/33/14/582113314.db2.gz FMDCSDPALLEVBP-UHFFFAOYSA-N 2 1 299.419 -0.471 20 30 CBEDMP C#CCNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000746464767 582284732 /nfs/dbraw/zinc/28/47/32/582284732.db2.gz YQGQFLBGRWWCCJ-UHFFFAOYSA-N 2 1 266.389 -0.695 20 30 CBEDMP C#CCNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000746464767 582284733 /nfs/dbraw/zinc/28/47/33/582284733.db2.gz YQGQFLBGRWWCCJ-UHFFFAOYSA-N 2 1 266.389 -0.695 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000763952132 582321744 /nfs/dbraw/zinc/32/17/44/582321744.db2.gz INQGYDJRMDDYLD-UHFFFAOYSA-N 2 1 268.405 -0.142 20 30 CBEDMP C#CCNC(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779650245 582362332 /nfs/dbraw/zinc/36/23/32/582362332.db2.gz MDANCUXRVMSYJL-LLVKDONJSA-N 2 1 282.344 -0.657 20 30 CBEDMP C#CCNC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779650245 582362333 /nfs/dbraw/zinc/36/23/33/582362333.db2.gz MDANCUXRVMSYJL-LLVKDONJSA-N 2 1 282.344 -0.657 20 30 CBEDMP C#CCNC(=O)CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830652659 582937333 /nfs/dbraw/zinc/93/73/33/582937333.db2.gz QSCYZJSVKQETMB-UHFFFAOYSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000836369023 583141637 /nfs/dbraw/zinc/14/16/37/583141637.db2.gz UGTAJALKJUQBJR-UONOGXRCSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000836369023 583141640 /nfs/dbraw/zinc/14/16/40/583141640.db2.gz UGTAJALKJUQBJR-UONOGXRCSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000836369023 583141643 /nfs/dbraw/zinc/14/16/43/583141643.db2.gz UGTAJALKJUQBJR-UONOGXRCSA-N 2 1 296.415 -0.040 20 30 CBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000836369023 583141644 /nfs/dbraw/zinc/14/16/44/583141644.db2.gz UGTAJALKJUQBJR-UONOGXRCSA-N 2 1 296.415 -0.040 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844001066 583243550 /nfs/dbraw/zinc/24/35/50/583243550.db2.gz FHKJHHDRQOVUOT-GFCCVEGCSA-N 2 1 253.346 -0.618 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844001066 583243552 /nfs/dbraw/zinc/24/35/52/583243552.db2.gz FHKJHHDRQOVUOT-GFCCVEGCSA-N 2 1 253.346 -0.618 20 30 CBEDMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000844195537 583260403 /nfs/dbraw/zinc/26/04/03/583260403.db2.gz WVIVHDCEEYBKCT-QWHCGFSZSA-N 2 1 279.388 -0.758 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+](C)C1CC1 ZINC000848997425 583465327 /nfs/dbraw/zinc/46/53/27/583465327.db2.gz GYEOCSJRGJEESS-UHFFFAOYSA-N 2 1 283.420 -0.422 20 30 CBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+](C)C1CC1 ZINC000848997425 583465331 /nfs/dbraw/zinc/46/53/31/583465331.db2.gz GYEOCSJRGJEESS-UHFFFAOYSA-N 2 1 283.420 -0.422 20 30 CBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC[N@H+]1C ZINC000876802124 584146304 /nfs/dbraw/zinc/14/63/04/584146304.db2.gz LTVLUQKQPSGURS-NNYUYHANSA-N 2 1 250.346 -0.056 20 30 CBEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865670 584219244 /nfs/dbraw/zinc/21/92/44/584219244.db2.gz MOECTNAHOQQREM-AWEZNQCLSA-N 2 1 267.373 -0.486 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCOC)C1 ZINC000884128242 584361031 /nfs/dbraw/zinc/36/10/31/584361031.db2.gz YNEWTXJKHKCTCX-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)CCOC)C1 ZINC000884128242 584361033 /nfs/dbraw/zinc/36/10/33/584361033.db2.gz YNEWTXJKHKCTCX-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCOC)C1 ZINC000884128242 584361034 /nfs/dbraw/zinc/36/10/34/584361034.db2.gz YNEWTXJKHKCTCX-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCOC)C1 ZINC000884128242 584361035 /nfs/dbraw/zinc/36/10/35/584361035.db2.gz YNEWTXJKHKCTCX-AWEZNQCLSA-N 2 1 296.415 -0.039 20 30 CBEDMP COCC[N@@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884208104 584367290 /nfs/dbraw/zinc/36/72/90/584367290.db2.gz QAVZRXVLMQUMHI-OWYJLGKBSA-N 2 1 294.399 -0.180 20 30 CBEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC(F)(F)C[NH3+])C2 ZINC000884253531 584370392 /nfs/dbraw/zinc/37/03/92/584370392.db2.gz MRBMLAQHHPPWCP-INWMGODYSA-N 2 1 272.299 -0.164 20 30 CBEDMP C[NH+]1CCC(C#N)(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900607540 584816186 /nfs/dbraw/zinc/81/61/86/584816186.db2.gz DNJCBKMUVZLTGM-OAHLLOKOSA-N 2 1 294.399 -0.063 20 30 CBEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812331 584828862 /nfs/dbraw/zinc/82/88/62/584828862.db2.gz VDZWFWZQSHIHSP-OLZOCXBDSA-N 2 1 268.405 -0.145 20 30 CBEDMP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214404 613285688 /nfs/dbraw/zinc/28/56/88/613285688.db2.gz HDGYHOWCRNOKIJ-UONOGXRCSA-N 2 1 291.395 -0.343 20 30 CBEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374930 613613039 /nfs/dbraw/zinc/61/30/39/613613039.db2.gz PRSXHFAYYOJTGF-LSDHHAIUSA-N 2 1 293.411 -0.240 20 30 CBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595456 613617953 /nfs/dbraw/zinc/61/79/53/613617953.db2.gz RTAHZMHSCZOCLF-KBPBESRZSA-N 2 1 291.395 -0.486 20 30 CBEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977954520 613835400 /nfs/dbraw/zinc/83/54/00/613835400.db2.gz LOUGWDLHMXBNLS-YIYPIFLZSA-N 2 1 279.384 -0.203 20 30 CBEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977954520 613835401 /nfs/dbraw/zinc/83/54/01/613835401.db2.gz LOUGWDLHMXBNLS-YIYPIFLZSA-N 2 1 279.384 -0.203 20 30 CBEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977954520 613835403 /nfs/dbraw/zinc/83/54/03/613835403.db2.gz LOUGWDLHMXBNLS-YIYPIFLZSA-N 2 1 279.384 -0.203 20 30 CBEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977954520 613835405 /nfs/dbraw/zinc/83/54/05/613835405.db2.gz LOUGWDLHMXBNLS-YIYPIFLZSA-N 2 1 279.384 -0.203 20 30 CBEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])NCCOC)CC1 ZINC000161499361 656078073 /nfs/dbraw/zinc/07/80/73/656078073.db2.gz BJPWIECAOHYDCC-UHFFFAOYSA-N 2 1 285.436 -0.045 20 30 CBEDMP CCCNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912696 656083139 /nfs/dbraw/zinc/08/31/39/656083139.db2.gz ZSFGSKFKCILDMB-UHFFFAOYSA-N 2 1 255.366 -0.535 20 30 CBEDMP CCN(C)C(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000187053684 656096384 /nfs/dbraw/zinc/09/63/84/656096384.db2.gz JNZOMQJBFGMFAU-UHFFFAOYSA-N 2 1 285.392 -0.909 20 30 CBEDMP Cn1cncc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000290678535 656137829 /nfs/dbraw/zinc/13/78/29/656137829.db2.gz PSQWSGIMILPTDF-UHFFFAOYSA-N 2 1 280.376 -0.453 20 30 CBEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303877537 656139663 /nfs/dbraw/zinc/13/96/63/656139663.db2.gz FLQZDHVSZLBCFL-CYBMUJFWSA-N 2 1 283.420 -0.435 20 30 CBEDMP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303877537 656139667 /nfs/dbraw/zinc/13/96/67/656139667.db2.gz FLQZDHVSZLBCFL-CYBMUJFWSA-N 3 1 283.420 -0.435 20 30 CBEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303877537 656139671 /nfs/dbraw/zinc/13/96/71/656139671.db2.gz FLQZDHVSZLBCFL-CYBMUJFWSA-N 3 1 283.420 -0.435 20 30 CBEDMP COCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303691140 656139814 /nfs/dbraw/zinc/13/98/14/656139814.db2.gz AIPDZLUTRPWRMG-UHFFFAOYSA-N 2 1 258.366 -0.351 20 30 CBEDMP CC[N@H+]1CC[C@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303906752 656140069 /nfs/dbraw/zinc/14/00/69/656140069.db2.gz WHCSMKBPKQCAOT-CQSZACIVSA-N 2 1 297.447 -0.175 20 30 CBEDMP CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)COC1 ZINC000304763135 656140766 /nfs/dbraw/zinc/14/07/66/656140766.db2.gz WLMMTNBXDJXVNV-UHFFFAOYSA-N 2 1 270.377 -0.351 20 30 CBEDMP C=CCNC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710623671 656199090 /nfs/dbraw/zinc/19/90/90/656199090.db2.gz PAQGSERSNCYGMA-UHFFFAOYSA-N 2 1 255.362 -0.323 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996715259 656454594 /nfs/dbraw/zinc/45/45/94/656454594.db2.gz HMEOEIUSWPWVBM-TZMCWYRMSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996715259 656454600 /nfs/dbraw/zinc/45/46/00/656454600.db2.gz HMEOEIUSWPWVBM-TZMCWYRMSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997097413 656466040 /nfs/dbraw/zinc/46/60/40/656466040.db2.gz NWEQASMUBGWCDA-UHFFFAOYSA-N 2 1 279.384 -0.078 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999494906 656630448 /nfs/dbraw/zinc/63/04/48/656630448.db2.gz JDTXOCLOBJQLLC-HZSPNIEDSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999494906 656630452 /nfs/dbraw/zinc/63/04/52/656630452.db2.gz JDTXOCLOBJQLLC-HZSPNIEDSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000999861515 656659579 /nfs/dbraw/zinc/65/95/79/656659579.db2.gz JRWYFTKPWUFDHB-JXQTWKCFSA-N 2 1 279.384 -0.081 20 30 CBEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000999861515 656659581 /nfs/dbraw/zinc/65/95/81/656659581.db2.gz JRWYFTKPWUFDHB-JXQTWKCFSA-N 2 1 279.384 -0.081 20 30 CBEDMP C[C@@H](C(=O)NCC#CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000913518384 657484920 /nfs/dbraw/zinc/48/49/20/657484920.db2.gz MYFFOMGZZCGJLO-ZDUSSCGKSA-N 2 1 266.389 -0.697 20 30 CBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001018986161 657857205 /nfs/dbraw/zinc/85/72/05/657857205.db2.gz SOOIXWJZHVZZEO-RDBSUJKOSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001018986161 657857201 /nfs/dbraw/zinc/85/72/01/657857201.db2.gz SOOIXWJZHVZZEO-RDBSUJKOSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168725 657868401 /nfs/dbraw/zinc/86/84/01/657868401.db2.gz SLGOZLOFYSYMEN-WJEHIRDRSA-N 2 1 289.379 -0.327 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020046218 657998217 /nfs/dbraw/zinc/99/82/17/657998217.db2.gz XUYADDXPPHDZDD-IJLUTSLNSA-N 2 1 251.330 -0.813 20 30 CBEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020046218 657998233 /nfs/dbraw/zinc/99/82/33/657998233.db2.gz XUYADDXPPHDZDD-IJLUTSLNSA-N 2 1 251.330 -0.813 20 30 CBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503976 658311172 /nfs/dbraw/zinc/31/11/72/658311172.db2.gz NDKQBWGWIFCEQD-QWRGUYRKSA-N 2 1 268.361 -0.085 20 30 CBEDMP C=CC[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923605541 658349720 /nfs/dbraw/zinc/34/97/20/658349720.db2.gz FQBGQHGXVBQCQV-UHFFFAOYSA-N 2 1 288.417 -0.624 20 30 CBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924978113 658685512 /nfs/dbraw/zinc/68/55/12/658685512.db2.gz VEUOMONEQIPBMI-NWDGAFQWSA-N 2 1 255.362 -0.325 20 30 CBEDMP C#CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000928647658 659057484 /nfs/dbraw/zinc/05/74/84/659057484.db2.gz IKEVLWYNMIQJSC-HIFRSBDPSA-N 2 1 279.384 -0.345 20 30 CBEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995591337 659904777 /nfs/dbraw/zinc/90/47/77/659904777.db2.gz TZSLRJDNECYIOO-STQMWFEESA-N 2 1 279.384 -0.223 20 30 CBEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995591337 659904781 /nfs/dbraw/zinc/90/47/81/659904781.db2.gz TZSLRJDNECYIOO-STQMWFEESA-N 2 1 279.384 -0.223 20 30 CBEDMP