smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000050954532 483896266 /nfs/dbraw/zinc/89/62/66/483896266.db2.gz NBEBAPPIDDWEQZ-UHFFFAOYSA-N 2 1 360.462 -0.074 20 30 FBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccnc1 ZINC000157379505 660103965 /nfs/dbraw/zinc/10/39/65/660103965.db2.gz UIJGJMNJCCWIJD-CYBMUJFWSA-N 2 1 354.480 -0.252 20 30 FBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccnc1 ZINC000157379663 657751514 /nfs/dbraw/zinc/75/15/14/657751514.db2.gz UIJGJMNJCCWIJD-ZDUSSCGKSA-N 2 1 354.480 -0.252 20 30 FBEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158625910 661734696 /nfs/dbraw/zinc/73/46/96/661734696.db2.gz YNRRBGBLZORMSR-UHFFFAOYSA-N 2 1 359.540 -0.292 20 30 FBEDMP Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)o1 ZINC000193633921 243258536 /nfs/dbraw/zinc/25/85/36/243258536.db2.gz ZLWAVVOEBQRABZ-GASCZTMLSA-N 2 1 358.446 -0.003 20 30 FBEDMP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261627747 658907572 /nfs/dbraw/zinc/90/75/72/658907572.db2.gz BZHMOWZMVWIBTD-DLBZAZTESA-N 3 1 350.511 -0.784 20 30 FBEDMP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261627751 658907792 /nfs/dbraw/zinc/90/77/92/658907792.db2.gz BZHMOWZMVWIBTD-IAGOWNOFSA-N 3 1 350.511 -0.784 20 30 FBEDMP C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261684743 658913926 /nfs/dbraw/zinc/91/39/26/658913926.db2.gz HXGZVBHXLWTDAI-HNNXBMFYSA-N 2 1 373.523 -0.749 20 30 FBEDMP C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261684746 657385505 /nfs/dbraw/zinc/38/55/05/657385505.db2.gz HXGZVBHXLWTDAI-OAHLLOKOSA-N 2 1 373.523 -0.749 20 30 FBEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261702661 658921414 /nfs/dbraw/zinc/92/14/14/658921414.db2.gz JJKMZDOSXCAIBY-KRWDZBQOSA-N 2 1 370.567 -0.119 20 30 FBEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261702663 658921155 /nfs/dbraw/zinc/92/11/55/658921155.db2.gz JJKMZDOSXCAIBY-QGZVFWFLSA-N 2 1 370.567 -0.119 20 30 FBEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261792860 658941250 /nfs/dbraw/zinc/94/12/50/658941250.db2.gz QPOKGTYJDYJMAZ-KRWDZBQOSA-N 2 1 350.467 -0.034 20 30 FBEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261792860 658941248 /nfs/dbraw/zinc/94/12/48/658941248.db2.gz QPOKGTYJDYJMAZ-KRWDZBQOSA-N 2 1 350.467 -0.034 20 30 FBEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261792863 658941296 /nfs/dbraw/zinc/94/12/96/658941296.db2.gz QPOKGTYJDYJMAZ-QGZVFWFLSA-N 2 1 350.467 -0.034 20 30 FBEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261792863 658941294 /nfs/dbraw/zinc/94/12/94/658941294.db2.gz QPOKGTYJDYJMAZ-QGZVFWFLSA-N 2 1 350.467 -0.034 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261843554 484936251 /nfs/dbraw/zinc/93/62/51/484936251.db2.gz LSOKSSLBKZMVTP-KKUMJFAQSA-N 2 1 365.478 -0.033 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261843555 484936295 /nfs/dbraw/zinc/93/62/95/484936295.db2.gz LSOKSSLBKZMVTP-RRFJBIMHSA-N 2 1 365.478 -0.033 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261843556 484935860 /nfs/dbraw/zinc/93/58/60/484935860.db2.gz LSOKSSLBKZMVTP-SOUVJXGZSA-N 2 1 365.478 -0.033 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261843557 484936153 /nfs/dbraw/zinc/93/61/53/484936153.db2.gz LSOKSSLBKZMVTP-ZNMIVQPWSA-N 2 1 365.478 -0.033 20 30 FBEDMP C[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261861644 658952245 /nfs/dbraw/zinc/95/22/45/658952245.db2.gz YOOSARYUZFHNFS-DLBZAZTESA-N 2 1 353.511 -0.063 20 30 FBEDMP C[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261861652 658952220 /nfs/dbraw/zinc/95/22/20/658952220.db2.gz YOOSARYUZFHNFS-IRXDYDNUSA-N 2 1 353.511 -0.063 20 30 FBEDMP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261938909 657438058 /nfs/dbraw/zinc/43/80/58/657438058.db2.gz DCFJTMTZVVZBAL-KCQAQPDRSA-N 2 1 357.524 -0.084 20 30 FBEDMP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261938910 658972317 /nfs/dbraw/zinc/97/23/17/658972317.db2.gz DCFJTMTZVVZBAL-VNHYZAJKSA-N 2 1 357.524 -0.084 20 30 FBEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261948071 658973981 /nfs/dbraw/zinc/97/39/81/658973981.db2.gz GLVJPTIVAJPITL-UHFFFAOYSA-N 2 1 373.523 -0.765 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262308318 485168647 /nfs/dbraw/zinc/16/86/47/485168647.db2.gz YOMNSMAOVFFJRE-KBPBESRZSA-N 2 1 351.451 -0.422 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262308318 485168642 /nfs/dbraw/zinc/16/86/42/485168642.db2.gz YOMNSMAOVFFJRE-KBPBESRZSA-N 2 1 351.451 -0.422 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262308321 485168840 /nfs/dbraw/zinc/16/88/40/485168840.db2.gz YOMNSMAOVFFJRE-KGLIPLIRSA-N 2 1 351.451 -0.422 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262308321 485168836 /nfs/dbraw/zinc/16/88/36/485168836.db2.gz YOMNSMAOVFFJRE-KGLIPLIRSA-N 2 1 351.451 -0.422 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262308324 485168412 /nfs/dbraw/zinc/16/84/12/485168412.db2.gz YOMNSMAOVFFJRE-UONOGXRCSA-N 2 1 351.451 -0.422 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262308324 485168406 /nfs/dbraw/zinc/16/84/06/485168406.db2.gz YOMNSMAOVFFJRE-UONOGXRCSA-N 2 1 351.451 -0.422 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262308326 485168788 /nfs/dbraw/zinc/16/87/88/485168788.db2.gz YOMNSMAOVFFJRE-ZIAGYGMSSA-N 2 1 351.451 -0.422 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262308326 485168784 /nfs/dbraw/zinc/16/87/84/485168784.db2.gz YOMNSMAOVFFJRE-ZIAGYGMSSA-N 2 1 351.451 -0.422 20 30 FBEDMP C=CC[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000262318773 484293544 /nfs/dbraw/zinc/29/35/44/484293544.db2.gz RHFIXFUKBMBONQ-HNNXBMFYSA-N 2 1 364.494 -0.555 20 30 FBEDMP C=CC[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000262318774 484294666 /nfs/dbraw/zinc/29/46/66/484294666.db2.gz RHFIXFUKBMBONQ-OAHLLOKOSA-N 2 1 364.494 -0.555 20 30 FBEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262761974 484300700 /nfs/dbraw/zinc/30/07/00/484300700.db2.gz GECCNYLZQMNENQ-HNNXBMFYSA-N 2 1 362.478 -0.141 20 30 FBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262761977 484301243 /nfs/dbraw/zinc/30/12/43/484301243.db2.gz GECCNYLZQMNENQ-OAHLLOKOSA-N 2 1 362.478 -0.141 20 30 FBEDMP NS(=O)(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264054343 484314754 /nfs/dbraw/zinc/31/47/54/484314754.db2.gz AESUMOLHOPGRIU-UHFFFAOYSA-N 2 1 355.464 -0.539 20 30 FBEDMP NS(=O)(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000264059896 484316051 /nfs/dbraw/zinc/31/60/51/484316051.db2.gz CLYBDNGJRIGZSM-UHFFFAOYSA-N 2 1 361.493 -0.478 20 30 FBEDMP COc1ccc(CNC(=O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264065526 484315469 /nfs/dbraw/zinc/31/54/69/484315469.db2.gz AYDKACMYDPMVLX-UHFFFAOYSA-N 2 1 363.462 -0.062 20 30 FBEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264083233 484314967 /nfs/dbraw/zinc/31/49/67/484314967.db2.gz IERJJSUEDGCICU-UHFFFAOYSA-N 2 1 360.466 -0.923 20 30 FBEDMP NS(=O)(=O)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264084150 484314882 /nfs/dbraw/zinc/31/48/82/484314882.db2.gz INQPWXPPHZKASM-UHFFFAOYSA-N 2 1 355.464 -0.539 20 30 FBEDMP CNS(=O)(=O)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264111718 484315561 /nfs/dbraw/zinc/31/55/61/484315561.db2.gz QZSDMVOHJOCPGI-UHFFFAOYSA-N 2 1 369.491 -0.279 20 30 FBEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264115400 484314929 /nfs/dbraw/zinc/31/49/29/484314929.db2.gz SIICEDZRTVZYRW-UHFFFAOYSA-N 2 1 360.510 -0.059 20 30 FBEDMP CN1CCC[N@H+](CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264115400 484314921 /nfs/dbraw/zinc/31/49/21/484314921.db2.gz SIICEDZRTVZYRW-UHFFFAOYSA-N 2 1 360.510 -0.059 20 30 FBEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264115400 484314918 /nfs/dbraw/zinc/31/49/18/484314918.db2.gz SIICEDZRTVZYRW-UHFFFAOYSA-N 2 1 360.510 -0.059 20 30 FBEDMP NS(=O)(=O)c1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264142207 484315948 /nfs/dbraw/zinc/31/59/48/484315948.db2.gz WVOIGQPVMLLCMP-UHFFFAOYSA-N 2 1 369.491 -0.497 20 30 FBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000264149541 484315268 /nfs/dbraw/zinc/31/52/68/484315268.db2.gz YVFDHVMCHRGDJY-HNNXBMFYSA-N 2 1 360.462 -0.210 20 30 FBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000264149545 484315647 /nfs/dbraw/zinc/31/56/47/484315647.db2.gz YVFDHVMCHRGDJY-OAHLLOKOSA-N 2 1 360.462 -0.210 20 30 FBEDMP Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1S(N)(=O)=O ZINC000277957858 483679648 /nfs/dbraw/zinc/67/96/48/483679648.db2.gz KGWPMVZPNHDSJB-UHFFFAOYSA-N 2 1 369.491 -0.231 20 30 FBEDMP Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000278009313 483679524 /nfs/dbraw/zinc/67/95/24/483679524.db2.gz OZTFCDLBFHOZPY-UHFFFAOYSA-N 2 1 369.491 -0.231 20 30 FBEDMP C[N@H+]1CCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1(C)C ZINC000281892816 483687114 /nfs/dbraw/zinc/68/71/14/483687114.db2.gz YKJBSCQGIDJSTQ-UHFFFAOYSA-N 2 1 360.510 -0.061 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000284547877 484048790 /nfs/dbraw/zinc/04/87/90/484048790.db2.gz LSYHYZFZAQWJLC-UHFFFAOYSA-N 2 1 365.478 -0.967 20 30 FBEDMP NS(=O)(=O)c1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000286990766 483745281 /nfs/dbraw/zinc/74/52/81/483745281.db2.gz DHYQRPDAXQPYNL-UHFFFAOYSA-N 2 1 355.464 -0.539 20 30 FBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000303871151 661836792 /nfs/dbraw/zinc/83/67/92/661836792.db2.gz BMYSUXYDVJSQIY-CHWSQXEVSA-N 2 1 359.496 -0.932 20 30 FBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000303871152 661836779 /nfs/dbraw/zinc/83/67/79/661836779.db2.gz BMYSUXYDVJSQIY-OLZOCXBDSA-N 2 1 359.496 -0.932 20 30 FBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000303871153 661836659 /nfs/dbraw/zinc/83/66/59/661836659.db2.gz BMYSUXYDVJSQIY-QWHCGFSZSA-N 2 1 359.496 -0.932 20 30 FBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000303871154 661836876 /nfs/dbraw/zinc/83/68/76/661836876.db2.gz BMYSUXYDVJSQIY-STQMWFEESA-N 2 1 359.496 -0.932 20 30 FBEDMP CC[NH+]1CCN(CCCCNC(NCCN2CCOCC2)=[NH+]C)CC1 ZINC000303891349 661836861 /nfs/dbraw/zinc/83/68/61/661836861.db2.gz NBTXZEMVKFTPPR-UHFFFAOYSA-N 2 1 354.543 -0.099 20 30 FBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000303895148 484232099 /nfs/dbraw/zinc/23/20/99/484232099.db2.gz SZSMAOPLENFGTL-KRWDZBQOSA-N 2 1 371.551 -0.179 20 30 FBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000303895150 484232266 /nfs/dbraw/zinc/23/22/66/484232266.db2.gz SZSMAOPLENFGTL-QGZVFWFLSA-N 2 1 371.551 -0.179 20 30 FBEDMP CS(=O)(=O)N1CCC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303975104 661838186 /nfs/dbraw/zinc/83/81/86/661838186.db2.gz INUGTIJYGGBZSF-UHFFFAOYSA-N 2 1 361.512 -0.715 20 30 FBEDMP C[NH+]=C(NCCC[N@H+]1CCC[C@H](C(N)=O)C1)NCCN1CCOCC1 ZINC000303986757 661838223 /nfs/dbraw/zinc/83/82/23/661838223.db2.gz UVNJJTUHNYJVLV-HNNXBMFYSA-N 2 1 354.499 -0.929 20 30 FBEDMP C[NH+]=C(NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)NCCN1CCOCC1 ZINC000303986758 661838101 /nfs/dbraw/zinc/83/81/01/661838101.db2.gz UVNJJTUHNYJVLV-OAHLLOKOSA-N 2 1 354.499 -0.929 20 30 FBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCS(=O)(=O)NCC1CCC1 ZINC000304740512 661843227 /nfs/dbraw/zinc/84/32/27/661843227.db2.gz BRBGPVOPULNPIR-UHFFFAOYSA-N 2 1 361.512 -0.668 20 30 FBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)N1CCSCC1 ZINC000304751730 661843145 /nfs/dbraw/zinc/84/31/45/661843145.db2.gz JQDDRZFLPGEUSS-CYBMUJFWSA-N 2 1 363.553 -0.246 20 30 FBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)N1CCSCC1 ZINC000304751732 661843319 /nfs/dbraw/zinc/84/33/19/661843319.db2.gz JQDDRZFLPGEUSS-ZDUSSCGKSA-N 2 1 363.553 -0.246 20 30 FBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)Cc1ccon1 ZINC000304807029 661843474 /nfs/dbraw/zinc/84/34/74/661843474.db2.gz SSLLBGGKFHSTKA-CYBMUJFWSA-N 2 1 358.468 -0.517 20 30 FBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)Cc1ccon1 ZINC000304807030 661843497 /nfs/dbraw/zinc/84/34/97/661843497.db2.gz SSLLBGGKFHSTKA-ZDUSSCGKSA-N 2 1 358.468 -0.517 20 30 FBEDMP CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304995377 661845431 /nfs/dbraw/zinc/84/54/31/661845431.db2.gz FMSLVYQEROOPOB-KBPBESRZSA-N 2 1 361.512 -0.669 20 30 FBEDMP CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304995380 661845423 /nfs/dbraw/zinc/84/54/23/661845423.db2.gz FMSLVYQEROOPOB-KGLIPLIRSA-N 2 1 361.512 -0.669 20 30 FBEDMP CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304995382 661845461 /nfs/dbraw/zinc/84/54/61/661845461.db2.gz FMSLVYQEROOPOB-UONOGXRCSA-N 2 1 361.512 -0.669 20 30 FBEDMP CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304995384 661845410 /nfs/dbraw/zinc/84/54/10/661845410.db2.gz FMSLVYQEROOPOB-ZIAGYGMSSA-N 2 1 361.512 -0.669 20 30 FBEDMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000329559553 484258222 /nfs/dbraw/zinc/25/82/22/484258222.db2.gz FPWSAVMSXOGQLG-INIZCTEOSA-N 2 1 367.494 -0.139 20 30 FBEDMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000329559554 484258008 /nfs/dbraw/zinc/25/80/08/484258008.db2.gz FPWSAVMSXOGQLG-MRXNPFEDSA-N 2 1 367.494 -0.139 20 30 FBEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000330125422 484312370 /nfs/dbraw/zinc/31/23/70/484312370.db2.gz LYPQVIQMFLJDPG-CVEARBPZSA-N 2 1 366.510 -0.615 20 30 FBEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000330125422 484312364 /nfs/dbraw/zinc/31/23/64/484312364.db2.gz LYPQVIQMFLJDPG-CVEARBPZSA-N 2 1 366.510 -0.615 20 30 FBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000330125422 484312357 /nfs/dbraw/zinc/31/23/57/484312357.db2.gz LYPQVIQMFLJDPG-CVEARBPZSA-N 2 1 366.510 -0.615 20 30 FBEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000330125425 484311588 /nfs/dbraw/zinc/31/15/88/484311588.db2.gz LYPQVIQMFLJDPG-HZPDHXFCSA-N 2 1 366.510 -0.615 20 30 FBEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000330125425 484311582 /nfs/dbraw/zinc/31/15/82/484311582.db2.gz LYPQVIQMFLJDPG-HZPDHXFCSA-N 2 1 366.510 -0.615 20 30 FBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000330125425 484311575 /nfs/dbraw/zinc/31/15/75/484311575.db2.gz LYPQVIQMFLJDPG-HZPDHXFCSA-N 2 1 366.510 -0.615 20 30 FBEDMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000330222019 484319062 /nfs/dbraw/zinc/31/90/62/484319062.db2.gz RMQZQFQMNAANQP-INIZCTEOSA-N 2 1 367.494 -0.281 20 30 FBEDMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000330222020 484319546 /nfs/dbraw/zinc/31/95/46/484319546.db2.gz RMQZQFQMNAANQP-MRXNPFEDSA-N 2 1 367.494 -0.281 20 30 FBEDMP C[N@@H+](CCO)C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331146289 483975149 /nfs/dbraw/zinc/97/51/49/483975149.db2.gz ZJEUMBJUWCBLMB-UHFFFAOYSA-N 2 1 355.483 -0.547 20 30 FBEDMP C[N@H+](CCO)C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331146289 483975142 /nfs/dbraw/zinc/97/51/42/483975142.db2.gz ZJEUMBJUWCBLMB-UHFFFAOYSA-N 2 1 355.483 -0.547 20 30 FBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000331217278 483982663 /nfs/dbraw/zinc/98/26/63/483982663.db2.gz FSOAYSABBUUMKA-AWEZNQCLSA-N 2 1 369.510 -0.112 20 30 FBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000331217278 483982660 /nfs/dbraw/zinc/98/26/60/483982660.db2.gz FSOAYSABBUUMKA-AWEZNQCLSA-N 2 1 369.510 -0.112 20 30 FBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000331217279 483981760 /nfs/dbraw/zinc/98/17/60/483981760.db2.gz FSOAYSABBUUMKA-CQSZACIVSA-N 2 1 369.510 -0.112 20 30 FBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000331217279 483981751 /nfs/dbraw/zinc/98/17/51/483981751.db2.gz FSOAYSABBUUMKA-CQSZACIVSA-N 2 1 369.510 -0.112 20 30 FBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000331220076 483981806 /nfs/dbraw/zinc/98/18/06/483981806.db2.gz IWTGBKRTHAOCNW-AWEZNQCLSA-N 2 1 369.510 -0.112 20 30 FBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000331220076 483981799 /nfs/dbraw/zinc/98/17/99/483981799.db2.gz IWTGBKRTHAOCNW-AWEZNQCLSA-N 2 1 369.510 -0.112 20 30 FBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000331220077 483982092 /nfs/dbraw/zinc/98/20/92/483982092.db2.gz IWTGBKRTHAOCNW-CQSZACIVSA-N 2 1 369.510 -0.112 20 30 FBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000331220077 483982088 /nfs/dbraw/zinc/98/20/88/483982088.db2.gz IWTGBKRTHAOCNW-CQSZACIVSA-N 2 1 369.510 -0.112 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333167379 484455118 /nfs/dbraw/zinc/45/51/18/484455118.db2.gz HONAKYXFYXHGNT-UHFFFAOYSA-N 2 1 371.507 -0.734 20 30 FBEDMP C[C@H](CO)[N@H+]1CCCN(CC#CCN2CCC[NH+]([C@@H](C)CO)CC2)CC1 ZINC000375272970 484296745 /nfs/dbraw/zinc/29/67/45/484296745.db2.gz VSXYJWBFOXVAOE-BGYRXZFFSA-N 2 1 366.550 -0.233 20 30 FBEDMP C[C@H](CO)[N@@H+]1CCCN(CC#CCN2CCC[NH+]([C@@H](C)CO)CC2)CC1 ZINC000375272970 484296739 /nfs/dbraw/zinc/29/67/39/484296739.db2.gz VSXYJWBFOXVAOE-BGYRXZFFSA-N 2 1 366.550 -0.233 20 30 FBEDMP C[C@H](CO)[NH+]1CCCN(CC#CCN2CCC[N@H+]([C@@H](C)CO)CC2)CC1 ZINC000375272970 484296735 /nfs/dbraw/zinc/29/67/35/484296735.db2.gz VSXYJWBFOXVAOE-BGYRXZFFSA-N 2 1 366.550 -0.233 20 30 FBEDMP C[C@@H](CO)[NH+]1CCCN(CC#CCN2CCC[N@H+]([C@@H](C)CO)CC2)CC1 ZINC000375272971 484297055 /nfs/dbraw/zinc/29/70/55/484297055.db2.gz VSXYJWBFOXVAOE-PMACEKPBSA-N 2 1 366.550 -0.233 20 30 FBEDMP C[C@H](CO)[NH+]1CCCN(CC#CCN2CCC[N@H+]([C@H](C)CO)CC2)CC1 ZINC000375272972 484296323 /nfs/dbraw/zinc/29/63/23/484296323.db2.gz VSXYJWBFOXVAOE-WOJBJXKFSA-N 2 1 366.550 -0.233 20 30 FBEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409590473 483777738 /nfs/dbraw/zinc/77/77/38/483777738.db2.gz CAKILZNPNGITAF-CVEARBPZSA-N 2 1 373.523 -0.197 20 30 FBEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409590474 483777802 /nfs/dbraw/zinc/77/78/02/483777802.db2.gz CAKILZNPNGITAF-HOTGVXAUSA-N 2 1 373.523 -0.197 20 30 FBEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409590475 483777522 /nfs/dbraw/zinc/77/75/22/483777522.db2.gz CAKILZNPNGITAF-HZPDHXFCSA-N 2 1 373.523 -0.197 20 30 FBEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409590476 483778130 /nfs/dbraw/zinc/77/81/30/483778130.db2.gz CAKILZNPNGITAF-JKSUJKDBSA-N 2 1 373.523 -0.197 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430656339 483906033 /nfs/dbraw/zinc/90/60/33/483906033.db2.gz SZDQYQFCNCBAEC-KBPBESRZSA-N 2 1 351.451 -0.470 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430656340 483906411 /nfs/dbraw/zinc/90/64/11/483906411.db2.gz SZDQYQFCNCBAEC-KGLIPLIRSA-N 2 1 351.451 -0.470 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430656342 483906208 /nfs/dbraw/zinc/90/62/08/483906208.db2.gz SZDQYQFCNCBAEC-UONOGXRCSA-N 2 1 351.451 -0.470 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430656344 483906372 /nfs/dbraw/zinc/90/63/72/483906372.db2.gz SZDQYQFCNCBAEC-ZIAGYGMSSA-N 2 1 351.451 -0.470 20 30 FBEDMP C[C@]1(CO)C[NH+](CC#CC[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528750277 484480959 /nfs/dbraw/zinc/48/09/59/484480959.db2.gz CEEOAFNLKQGECH-FGYAAKKASA-N 2 1 368.518 -0.385 20 30 FBEDMP C[C@]1(CO)C[NH+](CC#CC[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528750277 484480955 /nfs/dbraw/zinc/48/09/55/484480955.db2.gz CEEOAFNLKQGECH-FGYAAKKASA-N 2 1 368.518 -0.385 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000551480982 484938645 /nfs/dbraw/zinc/93/86/45/484938645.db2.gz YDFRPIBGUMZFEB-INIZCTEOSA-N 2 1 365.522 -0.247 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000551480983 484939278 /nfs/dbraw/zinc/93/92/78/484939278.db2.gz YDFRPIBGUMZFEB-MRXNPFEDSA-N 2 1 365.522 -0.247 20 30 FBEDMP C[C@@H](O)C[NH+]1CCN(CC#CCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000551735687 484953367 /nfs/dbraw/zinc/95/33/67/484953367.db2.gz ODTVTPCQQDCDGP-JVSBHGNQSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H](O)C[NH+]1CCN(CC#CCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000551735687 484953364 /nfs/dbraw/zinc/95/33/64/484953364.db2.gz ODTVTPCQQDCDGP-JVSBHGNQSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H](O)C[N@H+]1CCN(CC#CCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000551735687 484953355 /nfs/dbraw/zinc/95/33/55/484953355.db2.gz ODTVTPCQQDCDGP-JVSBHGNQSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@H](O)C[NH+]1CCN(CC#CCN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000551735688 484953560 /nfs/dbraw/zinc/95/35/60/484953560.db2.gz ODTVTPCQQDCDGP-MUGJNUQGSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@H](O)C[NH+]1CCN(CC#CCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000551735689 484953402 /nfs/dbraw/zinc/95/34/02/484953402.db2.gz ODTVTPCQQDCDGP-YRPNKDGESA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@H](O)C[NH+]1CCN(CC#CCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000551735689 484953398 /nfs/dbraw/zinc/95/33/98/484953398.db2.gz ODTVTPCQQDCDGP-YRPNKDGESA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@H](O)C[NH+]1CCN(CC#CCN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000551735689 484953395 /nfs/dbraw/zinc/95/33/95/484953395.db2.gz ODTVTPCQQDCDGP-YRPNKDGESA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@H](O)C[NH+]1CCN(CC#CCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000551735690 484954061 /nfs/dbraw/zinc/95/40/61/484954061.db2.gz ODTVTPCQQDCDGP-ZRNYENFQSA-N 2 1 366.550 -0.236 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000552937295 485016918 /nfs/dbraw/zinc/01/69/18/485016918.db2.gz BGXJQEUDAWRYHB-INIZCTEOSA-N 2 1 352.479 -0.020 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000552937297 485017219 /nfs/dbraw/zinc/01/72/19/485017219.db2.gz BGXJQEUDAWRYHB-MRXNPFEDSA-N 2 1 352.479 -0.020 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000553371034 485044727 /nfs/dbraw/zinc/04/47/27/485044727.db2.gz XNGNZVNZILJAMK-INIZCTEOSA-N 2 1 352.479 -0.020 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000553371035 485045124 /nfs/dbraw/zinc/04/51/24/485045124.db2.gz XNGNZVNZILJAMK-MRXNPFEDSA-N 2 1 352.479 -0.020 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000553396978 485044884 /nfs/dbraw/zinc/04/48/84/485044884.db2.gz JZVNMARRUXMJOQ-INIZCTEOSA-N 2 1 351.495 -0.495 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000553396979 485045094 /nfs/dbraw/zinc/04/50/94/485045094.db2.gz JZVNMARRUXMJOQ-MRXNPFEDSA-N 2 1 351.495 -0.495 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000553672547 485060920 /nfs/dbraw/zinc/06/09/20/485060920.db2.gz XPLLOHMHNSDVLG-INIZCTEOSA-N 2 1 364.490 -0.066 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000553672548 485060818 /nfs/dbraw/zinc/06/08/18/485060818.db2.gz XPLLOHMHNSDVLG-MRXNPFEDSA-N 2 1 364.490 -0.066 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000555614535 485122205 /nfs/dbraw/zinc/12/22/05/485122205.db2.gz FWPWYRRTGCBENY-UHFFFAOYSA-N 2 1 352.479 -0.018 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000557251250 483673857 /nfs/dbraw/zinc/67/38/57/483673857.db2.gz ZIBVACRFHFABSE-HNNXBMFYSA-N 2 1 352.479 -0.163 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000557251254 483673898 /nfs/dbraw/zinc/67/38/98/483673898.db2.gz ZIBVACRFHFABSE-OAHLLOKOSA-N 2 1 352.479 -0.163 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000557730408 483690067 /nfs/dbraw/zinc/69/00/67/483690067.db2.gz FLCSONSHSCTQRO-UHFFFAOYSA-N 2 1 352.479 -0.332 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000565321557 485178299 /nfs/dbraw/zinc/17/82/99/485178299.db2.gz OUIBEZWLRNPISM-UHFFFAOYSA-N 2 1 365.522 -0.105 20 30 FBEDMP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598588715 483783486 /nfs/dbraw/zinc/78/34/86/483783486.db2.gz LBCISOKOBMSNJW-HNNXBMFYSA-N 2 1 373.523 -0.603 20 30 FBEDMP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598588735 483783725 /nfs/dbraw/zinc/78/37/25/483783725.db2.gz LBCISOKOBMSNJW-OAHLLOKOSA-N 2 1 373.523 -0.603 20 30 FBEDMP N#Cc1ccc(NCC[NH+]2CC[C@@H](O)C2)nc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175679 484172619 /nfs/dbraw/zinc/17/26/19/484172619.db2.gz HQZQMMGBUWHYNG-HZPDHXFCSA-N 2 1 360.462 -0.090 20 30 FBEDMP N#Cc1ccc(NCC[N@@H+]2CC[C@@H](O)C2)nc1NCC[NH+]1CC[C@@H](O)C1 ZINC000599175679 484172614 /nfs/dbraw/zinc/17/26/14/484172614.db2.gz HQZQMMGBUWHYNG-HZPDHXFCSA-N 2 1 360.462 -0.090 20 30 FBEDMP Cc1cc(NCC[NH+]2CC[C@@H](O)C2)c(C#N)c(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000599176293 484359644 /nfs/dbraw/zinc/35/96/44/484359644.db2.gz PVRYOKDIWWIMSQ-HZPDHXFCSA-N 2 1 374.489 0.219 20 30 FBEDMP Cc1cc(NCC[NH+]2CC[C@@H](O)C2)c(C#N)c(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000599176293 484359640 /nfs/dbraw/zinc/35/96/40/484359640.db2.gz PVRYOKDIWWIMSQ-HZPDHXFCSA-N 2 1 374.489 0.219 20 30 FBEDMP Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)c(C#N)c(NCC[NH+]2CC[C@@H](O)C2)n1 ZINC000599176293 484359636 /nfs/dbraw/zinc/35/96/36/484359636.db2.gz PVRYOKDIWWIMSQ-HZPDHXFCSA-N 2 1 374.489 0.219 20 30 FBEDMP N#Cc1ccc(NCC[NH+]2CC[C@H](O)C2)nc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199232 484172043 /nfs/dbraw/zinc/17/20/43/484172043.db2.gz HQZQMMGBUWHYNG-HOTGVXAUSA-N 2 1 360.462 -0.090 20 30 FBEDMP N#Cc1ccc(NCC[N@@H+]2CC[C@H](O)C2)nc1NCC[NH+]1CC[C@H](O)C1 ZINC000599199232 484172034 /nfs/dbraw/zinc/17/20/34/484172034.db2.gz HQZQMMGBUWHYNG-HOTGVXAUSA-N 2 1 360.462 -0.090 20 30 FBEDMP Cc1cc(NCC[NH+]2CC[C@H](O)C2)c(C#N)c(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000599199784 484358567 /nfs/dbraw/zinc/35/85/67/484358567.db2.gz PVRYOKDIWWIMSQ-HOTGVXAUSA-N 2 1 374.489 0.219 20 30 FBEDMP Cc1cc(NCC[NH+]2CC[C@H](O)C2)c(C#N)c(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000599199784 484358560 /nfs/dbraw/zinc/35/85/60/484358560.db2.gz PVRYOKDIWWIMSQ-HOTGVXAUSA-N 2 1 374.489 0.219 20 30 FBEDMP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)c(C#N)c(NCC[NH+]2CC[C@H](O)C2)n1 ZINC000599199784 484358550 /nfs/dbraw/zinc/35/85/50/484358550.db2.gz PVRYOKDIWWIMSQ-HOTGVXAUSA-N 2 1 374.489 0.219 20 30 FBEDMP C[C@@H]1CN(CC#CCN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000625459727 483708148 /nfs/dbraw/zinc/70/81/48/483708148.db2.gz OZDBOUQOZMFNCP-FGYAAKKASA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC#CCN1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000625471677 483708786 /nfs/dbraw/zinc/70/87/86/483708786.db2.gz HUOWLRJJOFOGGL-FGYAAKKASA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC#CCN1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000625471677 483708783 /nfs/dbraw/zinc/70/87/83/483708783.db2.gz HUOWLRJJOFOGGL-FGYAAKKASA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CC#CCN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000625471677 483708780 /nfs/dbraw/zinc/70/87/80/483708780.db2.gz HUOWLRJJOFOGGL-FGYAAKKASA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC#CCN1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000625471678 483708953 /nfs/dbraw/zinc/70/89/53/483708953.db2.gz HUOWLRJJOFOGGL-IYWMVGAKSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC#CCN1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000625471678 483708951 /nfs/dbraw/zinc/70/89/51/483708951.db2.gz HUOWLRJJOFOGGL-IYWMVGAKSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CC#CCN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000625471678 483708948 /nfs/dbraw/zinc/70/89/48/483708948.db2.gz HUOWLRJJOFOGGL-IYWMVGAKSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CC#CCN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000625471679 483708665 /nfs/dbraw/zinc/70/86/65/483708665.db2.gz HUOWLRJJOFOGGL-UAFMIMERSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1CC#CCN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000625471680 483708713 /nfs/dbraw/zinc/70/87/13/483708713.db2.gz HUOWLRJJOFOGGL-WTGUMLROSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1CC#CCN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000625471680 483708710 /nfs/dbraw/zinc/70/87/10/483708710.db2.gz HUOWLRJJOFOGGL-WTGUMLROSA-N 2 1 366.550 -0.236 20 30 FBEDMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CC#CCN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000625471680 483708707 /nfs/dbraw/zinc/70/87/07/483708707.db2.gz HUOWLRJJOFOGGL-WTGUMLROSA-N 2 1 366.550 -0.236 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656310766 484634401 /nfs/dbraw/zinc/63/44/01/484634401.db2.gz FHNHGFKVOLZNCG-JKSUJKDBSA-N 2 1 350.463 -0.580 20 30 FBEDMP CC1(C)CN(CC#CCN2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000671243491 484649458 /nfs/dbraw/zinc/64/94/58/484649458.db2.gz AJOUQWJZDMGALN-UHFFFAOYSA-N 2 1 366.550 -0.233 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672357428 484633727 /nfs/dbraw/zinc/63/37/27/484633727.db2.gz RUSOLGQMOCUOEU-GDBMZVCRSA-N 2 1 352.479 -0.022 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672357429 484632885 /nfs/dbraw/zinc/63/28/85/484632885.db2.gz RUSOLGQMOCUOEU-GOEBONIOSA-N 2 1 352.479 -0.022 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672357430 484633109 /nfs/dbraw/zinc/63/31/09/484633109.db2.gz RUSOLGQMOCUOEU-HOCLYGCPSA-N 2 1 352.479 -0.022 20 30 FBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672357431 484634116 /nfs/dbraw/zinc/63/41/16/484634116.db2.gz RUSOLGQMOCUOEU-ZBFHGGJFSA-N 2 1 352.479 -0.022 20 30 FBEDMP C[NH+](C)CCCNC(=S)NN=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755720692 660665480 /nfs/dbraw/zinc/66/54/80/660665480.db2.gz GKLNWGDMPMOSSJ-UHFFFAOYSA-N 2 1 364.523 -0.022 20 30 FBEDMP C#CCN1CCN(C(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000779654055 660836454 /nfs/dbraw/zinc/83/64/54/660836454.db2.gz YFGVOPRHUSAVBB-HNNXBMFYSA-N 2 1 351.451 -0.629 20 30 FBEDMP C#CCN1CCN(C(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000779654055 660836452 /nfs/dbraw/zinc/83/64/52/660836452.db2.gz YFGVOPRHUSAVBB-HNNXBMFYSA-N 2 1 351.451 -0.629 20 30 FBEDMP C#CCN1CCN(C(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000779654058 660836408 /nfs/dbraw/zinc/83/64/08/660836408.db2.gz YFGVOPRHUSAVBB-OAHLLOKOSA-N 2 1 351.451 -0.629 20 30 FBEDMP C#CCN1CCN(C(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000779654058 660836407 /nfs/dbraw/zinc/83/64/07/660836407.db2.gz YFGVOPRHUSAVBB-OAHLLOKOSA-N 2 1 351.451 -0.629 20 30 FBEDMP C#CCNS(=O)(=O)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000800367533 662274714 /nfs/dbraw/zinc/27/47/14/662274714.db2.gz XEICZIQKOJEKPU-UHFFFAOYSA-N 2 1 371.551 -0.512 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061459 660969853 /nfs/dbraw/zinc/96/98/53/660969853.db2.gz VNDAQRCTBLZZRJ-CVEARBPZSA-N 2 1 350.463 -0.268 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804061460 660969973 /nfs/dbraw/zinc/96/99/73/660969973.db2.gz VNDAQRCTBLZZRJ-HOTGVXAUSA-N 2 1 350.463 -0.268 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061461 660969836 /nfs/dbraw/zinc/96/98/36/660969836.db2.gz VNDAQRCTBLZZRJ-HZPDHXFCSA-N 2 1 350.463 -0.268 20 30 FBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804061462 660969752 /nfs/dbraw/zinc/96/97/52/660969752.db2.gz VNDAQRCTBLZZRJ-JKSUJKDBSA-N 2 1 350.463 -0.268 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000820848507 661079277 /nfs/dbraw/zinc/07/92/77/661079277.db2.gz UNHJARNZHPPIIW-CVEARBPZSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000820848507 661079273 /nfs/dbraw/zinc/07/92/73/661079273.db2.gz UNHJARNZHPPIIW-CVEARBPZSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000820848507 661079270 /nfs/dbraw/zinc/07/92/70/661079270.db2.gz UNHJARNZHPPIIW-CVEARBPZSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000820848507 661079266 /nfs/dbraw/zinc/07/92/66/661079266.db2.gz UNHJARNZHPPIIW-CVEARBPZSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000820848508 661079380 /nfs/dbraw/zinc/07/93/80/661079380.db2.gz UNHJARNZHPPIIW-HOTGVXAUSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000820848508 661079377 /nfs/dbraw/zinc/07/93/77/661079377.db2.gz UNHJARNZHPPIIW-HOTGVXAUSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000820848508 661079374 /nfs/dbraw/zinc/07/93/74/661079374.db2.gz UNHJARNZHPPIIW-HOTGVXAUSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000820848508 661079371 /nfs/dbraw/zinc/07/93/71/661079371.db2.gz UNHJARNZHPPIIW-HOTGVXAUSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000836352095 661171529 /nfs/dbraw/zinc/17/15/29/661171529.db2.gz ZQCJCCZOGNBTAA-KRWDZBQOSA-N 2 1 351.495 -0.353 20 30 FBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000836352095 661171526 /nfs/dbraw/zinc/17/15/26/661171526.db2.gz ZQCJCCZOGNBTAA-KRWDZBQOSA-N 2 1 351.495 -0.353 20 30 FBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000836352095 661171521 /nfs/dbraw/zinc/17/15/21/661171521.db2.gz ZQCJCCZOGNBTAA-KRWDZBQOSA-N 2 1 351.495 -0.353 20 30 FBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000836352096 661171599 /nfs/dbraw/zinc/17/15/99/661171599.db2.gz ZQCJCCZOGNBTAA-QGZVFWFLSA-N 2 1 351.495 -0.353 20 30 FBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000836352096 661171598 /nfs/dbraw/zinc/17/15/98/661171598.db2.gz ZQCJCCZOGNBTAA-QGZVFWFLSA-N 2 1 351.495 -0.353 20 30 FBEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000836352096 661171595 /nfs/dbraw/zinc/17/15/95/661171595.db2.gz ZQCJCCZOGNBTAA-QGZVFWFLSA-N 2 1 351.495 -0.353 20 30 FBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000861634672 661395566 /nfs/dbraw/zinc/39/55/66/661395566.db2.gz PZEYHOZSSKPISA-UHFFFAOYSA-N 2 1 350.467 -0.706 20 30 FBEDMP C[NH+](C)CC#CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000913518536 660098771 /nfs/dbraw/zinc/09/87/71/660098771.db2.gz TVLIVXYENVARBK-INIZCTEOSA-N 2 1 350.463 -0.619 20 30 FBEDMP C[NH+](C)CC#CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000913518537 660098870 /nfs/dbraw/zinc/09/88/70/660098870.db2.gz TVLIVXYENVARBK-MRXNPFEDSA-N 2 1 350.463 -0.619 20 30 FBEDMP C#CCN(C(=O)C(=O)NCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000929102494 659962919 /nfs/dbraw/zinc/96/29/19/659962919.db2.gz VDHQCFFEYDKHRR-UHFFFAOYSA-N 2 1 350.463 -0.619 20 30 FBEDMP C#CCN(C(=O)C(=O)NCCC[N@H+](C)CCOC)C1CC[NH+](C)CC1 ZINC000929526960 661667082 /nfs/dbraw/zinc/66/70/82/661667082.db2.gz YJHMSBDCAKQORR-UHFFFAOYSA-N 2 1 352.479 -0.373 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)C1CC[NH+](C)CC1 ZINC000930008797 661673575 /nfs/dbraw/zinc/67/35/75/661673575.db2.gz HLKVALSLGPJYIW-HNNXBMFYSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)C1CC[NH+](C)CC1 ZINC000930008798 661673594 /nfs/dbraw/zinc/67/35/94/661673594.db2.gz HLKVALSLGPJYIW-OAHLLOKOSA-N 2 1 350.463 -0.621 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000930514301 661679546 /nfs/dbraw/zinc/67/95/46/661679546.db2.gz AIOMYIQFQKLUBU-GDBMZVCRSA-N 2 1 350.463 -0.622 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000930514301 661679545 /nfs/dbraw/zinc/67/95/45/661679545.db2.gz AIOMYIQFQKLUBU-GDBMZVCRSA-N 2 1 350.463 -0.622 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000930514302 661679497 /nfs/dbraw/zinc/67/94/97/661679497.db2.gz AIOMYIQFQKLUBU-GOEBONIOSA-N 2 1 350.463 -0.622 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000930514302 661679495 /nfs/dbraw/zinc/67/94/95/661679495.db2.gz AIOMYIQFQKLUBU-GOEBONIOSA-N 2 1 350.463 -0.622 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000930514303 661679583 /nfs/dbraw/zinc/67/95/83/661679583.db2.gz AIOMYIQFQKLUBU-HOCLYGCPSA-N 2 1 350.463 -0.622 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000930514303 661679581 /nfs/dbraw/zinc/67/95/81/661679581.db2.gz AIOMYIQFQKLUBU-HOCLYGCPSA-N 2 1 350.463 -0.622 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000930514304 661679592 /nfs/dbraw/zinc/67/95/92/661679592.db2.gz AIOMYIQFQKLUBU-ZBFHGGJFSA-N 2 1 350.463 -0.622 20 30 FBEDMP C#CCN(C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000930514304 661679591 /nfs/dbraw/zinc/67/95/91/661679591.db2.gz AIOMYIQFQKLUBU-ZBFHGGJFSA-N 2 1 350.463 -0.622 20 30 FBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001020287143 662157440 /nfs/dbraw/zinc/15/74/40/662157440.db2.gz UQMYYRJDOPYLIF-DGXTUMSLSA-N 2 1 350.463 -0.271 20 30 FBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001020287143 662157438 /nfs/dbraw/zinc/15/74/38/662157438.db2.gz UQMYYRJDOPYLIF-DGXTUMSLSA-N 2 1 350.463 -0.271 20 30 FBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001020287144 662157413 /nfs/dbraw/zinc/15/74/13/662157413.db2.gz UQMYYRJDOPYLIF-OXGONZEZSA-N 2 1 350.463 -0.271 20 30 FBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001020287144 662157412 /nfs/dbraw/zinc/15/74/12/662157412.db2.gz UQMYYRJDOPYLIF-OXGONZEZSA-N 2 1 350.463 -0.271 20 30 FBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001022275886 657458474 /nfs/dbraw/zinc/45/84/74/657458474.db2.gz UQMYYRJDOPYLIF-IBEHDNSVSA-N 2 1 350.463 -0.271 20 30 FBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001022275886 657458469 /nfs/dbraw/zinc/45/84/69/657458469.db2.gz UQMYYRJDOPYLIF-IBEHDNSVSA-N 2 1 350.463 -0.271 20 30 FBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001022275889 657458612 /nfs/dbraw/zinc/45/86/12/657458612.db2.gz UQMYYRJDOPYLIF-RBGFHDKUSA-N 2 1 350.463 -0.271 20 30 FBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001022275889 657458607 /nfs/dbraw/zinc/45/86/07/657458607.db2.gz UQMYYRJDOPYLIF-RBGFHDKUSA-N 2 1 350.463 -0.271 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001099345932 842434913 /nfs/dbraw/zinc/43/49/13/842434913.db2.gz ZEMGWVDJMSUSRA-CHWSQXEVSA-N 2 1 360.380 -0.204 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431553 842497340 /nfs/dbraw/zinc/49/73/40/842497340.db2.gz TXLVUCAVZZERLB-QAPCUYQASA-N 2 1 352.479 -0.353 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431610 842497357 /nfs/dbraw/zinc/49/73/57/842497357.db2.gz WFYUEHRLXUJDLO-QAPCUYQASA-N 2 1 350.463 -0.906 20 30 FBEDMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102015850 842569208 /nfs/dbraw/zinc/56/92/08/842569208.db2.gz TWMHTDXXXBAMLM-KFWWJZLASA-N 2 1 355.458 -0.010 20 30 FBEDMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102015851 842568979 /nfs/dbraw/zinc/56/89/79/842568979.db2.gz TWMHTDXXXBAMLM-RBSFLKMASA-N 2 1 355.458 -0.010 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102056208 842580988 /nfs/dbraw/zinc/58/09/88/842580988.db2.gz WBTDAGMEMTWESD-OAGGEKHMSA-N 2 1 370.519 -0.683 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102056208 842580982 /nfs/dbraw/zinc/58/09/82/842580982.db2.gz WBTDAGMEMTWESD-OAGGEKHMSA-N 2 1 370.519 -0.683 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102056208 842580976 /nfs/dbraw/zinc/58/09/76/842580976.db2.gz WBTDAGMEMTWESD-OAGGEKHMSA-N 2 1 370.519 -0.683 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102056208 842580969 /nfs/dbraw/zinc/58/09/69/842580969.db2.gz WBTDAGMEMTWESD-OAGGEKHMSA-N 2 1 370.519 -0.683 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078772 842586251 /nfs/dbraw/zinc/58/62/51/842586251.db2.gz IVAQQGIVQWWBJE-KLHDSHLOSA-N 2 1 350.463 -0.861 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078772 842586241 /nfs/dbraw/zinc/58/62/41/842586241.db2.gz IVAQQGIVQWWBJE-KLHDSHLOSA-N 2 1 350.463 -0.861 20 30 FBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078772 842586230 /nfs/dbraw/zinc/58/62/30/842586230.db2.gz IVAQQGIVQWWBJE-KLHDSHLOSA-N 2 1 350.463 -0.861 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078772 842586223 /nfs/dbraw/zinc/58/62/23/842586223.db2.gz IVAQQGIVQWWBJE-KLHDSHLOSA-N 2 1 350.463 -0.861 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079207 842586622 /nfs/dbraw/zinc/58/66/22/842586622.db2.gz ZYDVXRBIEXJZLI-KLHDSHLOSA-N 2 1 352.479 -0.308 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079207 842586619 /nfs/dbraw/zinc/58/66/19/842586619.db2.gz ZYDVXRBIEXJZLI-KLHDSHLOSA-N 2 1 352.479 -0.308 20 30 FBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079207 842586616 /nfs/dbraw/zinc/58/66/16/842586616.db2.gz ZYDVXRBIEXJZLI-KLHDSHLOSA-N 2 1 352.479 -0.308 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079207 842586611 /nfs/dbraw/zinc/58/66/11/842586611.db2.gz ZYDVXRBIEXJZLI-KLHDSHLOSA-N 2 1 352.479 -0.308 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318718 842618196 /nfs/dbraw/zinc/61/81/96/842618196.db2.gz HBBCMSQGYNZQDS-ZIAGYGMSSA-N 2 1 353.467 -0.366 20 30 FBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466398 842636934 /nfs/dbraw/zinc/63/69/34/842636934.db2.gz MVEIELRYLWEAOY-HZPDHXFCSA-N 2 1 352.479 -0.305 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466398 842636930 /nfs/dbraw/zinc/63/69/30/842636930.db2.gz MVEIELRYLWEAOY-HZPDHXFCSA-N 2 1 352.479 -0.305 20 30 FBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467208 842637279 /nfs/dbraw/zinc/63/72/79/842637279.db2.gz KJRYDQLPWYZPTF-HZPDHXFCSA-N 2 1 350.463 -0.858 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467208 842637269 /nfs/dbraw/zinc/63/72/69/842637269.db2.gz KJRYDQLPWYZPTF-HZPDHXFCSA-N 2 1 350.463 -0.858 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514125 842652962 /nfs/dbraw/zinc/65/29/62/842652962.db2.gz NRPBKPRUNISXQN-BZUAXINKSA-N 2 1 354.495 -0.061 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514126 842653857 /nfs/dbraw/zinc/65/38/57/842653857.db2.gz NRPBKPRUNISXQN-OWCLPIDISA-N 2 1 354.495 -0.061 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514175 842653871 /nfs/dbraw/zinc/65/38/71/842653871.db2.gz PFYBWUNLCQUQPL-BZUAXINKSA-N 2 1 352.479 -0.613 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514176 842652992 /nfs/dbraw/zinc/65/29/92/842652992.db2.gz PFYBWUNLCQUQPL-OWCLPIDISA-N 2 1 352.479 -0.613 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588441 842670868 /nfs/dbraw/zinc/67/08/68/842670868.db2.gz APLFYURKDCQZOF-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588441 842670861 /nfs/dbraw/zinc/67/08/61/842670861.db2.gz APLFYURKDCQZOF-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102588441 842670858 /nfs/dbraw/zinc/67/08/58/842670858.db2.gz APLFYURKDCQZOF-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102588441 842670854 /nfs/dbraw/zinc/67/08/54/842670854.db2.gz APLFYURKDCQZOF-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588442 842670529 /nfs/dbraw/zinc/67/05/29/842670529.db2.gz APLFYURKDCQZOF-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588442 842670526 /nfs/dbraw/zinc/67/05/26/842670526.db2.gz APLFYURKDCQZOF-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102588442 842670520 /nfs/dbraw/zinc/67/05/20/842670520.db2.gz APLFYURKDCQZOF-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102588442 842670517 /nfs/dbraw/zinc/67/05/17/842670517.db2.gz APLFYURKDCQZOF-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588547 842669893 /nfs/dbraw/zinc/66/98/93/842669893.db2.gz DRFPGCPDXFLOFQ-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588547 842669890 /nfs/dbraw/zinc/66/98/90/842669890.db2.gz DRFPGCPDXFLOFQ-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102588547 842669887 /nfs/dbraw/zinc/66/98/87/842669887.db2.gz DRFPGCPDXFLOFQ-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102588547 842669884 /nfs/dbraw/zinc/66/98/84/842669884.db2.gz DRFPGCPDXFLOFQ-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588548 842670796 /nfs/dbraw/zinc/67/07/96/842670796.db2.gz DRFPGCPDXFLOFQ-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588548 842670787 /nfs/dbraw/zinc/67/07/87/842670787.db2.gz DRFPGCPDXFLOFQ-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102588548 842670784 /nfs/dbraw/zinc/67/07/84/842670784.db2.gz DRFPGCPDXFLOFQ-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102588548 842670777 /nfs/dbraw/zinc/67/07/77/842670777.db2.gz DRFPGCPDXFLOFQ-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818641 842694465 /nfs/dbraw/zinc/69/44/65/842694465.db2.gz ANRDJUKTSVDSRV-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818641 842694462 /nfs/dbraw/zinc/69/44/62/842694462.db2.gz ANRDJUKTSVDSRV-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818641 842694458 /nfs/dbraw/zinc/69/44/58/842694458.db2.gz ANRDJUKTSVDSRV-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818641 842694451 /nfs/dbraw/zinc/69/44/51/842694451.db2.gz ANRDJUKTSVDSRV-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818642 842694135 /nfs/dbraw/zinc/69/41/35/842694135.db2.gz ANRDJUKTSVDSRV-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818642 842694128 /nfs/dbraw/zinc/69/41/28/842694128.db2.gz ANRDJUKTSVDSRV-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818642 842694124 /nfs/dbraw/zinc/69/41/24/842694124.db2.gz ANRDJUKTSVDSRV-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818642 842694117 /nfs/dbraw/zinc/69/41/17/842694117.db2.gz ANRDJUKTSVDSRV-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818779 842694400 /nfs/dbraw/zinc/69/44/00/842694400.db2.gz HDYUISRDCJQNCK-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818779 842694394 /nfs/dbraw/zinc/69/43/94/842694394.db2.gz HDYUISRDCJQNCK-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818779 842694391 /nfs/dbraw/zinc/69/43/91/842694391.db2.gz HDYUISRDCJQNCK-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818779 842694387 /nfs/dbraw/zinc/69/43/87/842694387.db2.gz HDYUISRDCJQNCK-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818780 842693696 /nfs/dbraw/zinc/69/36/96/842693696.db2.gz HDYUISRDCJQNCK-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818780 842693685 /nfs/dbraw/zinc/69/36/85/842693685.db2.gz HDYUISRDCJQNCK-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818780 842693679 /nfs/dbraw/zinc/69/36/79/842693679.db2.gz HDYUISRDCJQNCK-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818780 842693673 /nfs/dbraw/zinc/69/36/73/842693673.db2.gz HDYUISRDCJQNCK-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819389 842693556 /nfs/dbraw/zinc/69/35/56/842693556.db2.gz SBEKFFGHAZXJLA-KFWWJZLASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819389 842693550 /nfs/dbraw/zinc/69/35/50/842693550.db2.gz SBEKFFGHAZXJLA-KFWWJZLASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819389 842693547 /nfs/dbraw/zinc/69/35/47/842693547.db2.gz SBEKFFGHAZXJLA-KFWWJZLASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819389 842693544 /nfs/dbraw/zinc/69/35/44/842693544.db2.gz SBEKFFGHAZXJLA-KFWWJZLASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819390 842694173 /nfs/dbraw/zinc/69/41/73/842694173.db2.gz SBEKFFGHAZXJLA-RBSFLKMASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819390 842694167 /nfs/dbraw/zinc/69/41/67/842694167.db2.gz SBEKFFGHAZXJLA-RBSFLKMASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819390 842694161 /nfs/dbraw/zinc/69/41/61/842694161.db2.gz SBEKFFGHAZXJLA-RBSFLKMASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819390 842694157 /nfs/dbraw/zinc/69/41/57/842694157.db2.gz SBEKFFGHAZXJLA-RBSFLKMASA-N 2 1 351.451 -0.969 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641958 842748120 /nfs/dbraw/zinc/74/81/20/842748120.db2.gz KKWUBTUHAIZBTG-HZPDHXFCSA-N 2 1 352.479 -0.612 20 30 FBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642223 842748391 /nfs/dbraw/zinc/74/83/91/842748391.db2.gz VHKRLTYWQGRAGN-HUUCEWRRSA-N 2 1 353.467 -0.721 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642317 842748025 /nfs/dbraw/zinc/74/80/25/842748025.db2.gz ZRZALNVXXCMTLI-HZPDHXFCSA-N 2 1 354.495 -0.059 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033748 842769108 /nfs/dbraw/zinc/76/91/08/842769108.db2.gz GDGQCDNEMVSQTN-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033748 842769100 /nfs/dbraw/zinc/76/91/00/842769100.db2.gz GDGQCDNEMVSQTN-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033749 842768653 /nfs/dbraw/zinc/76/86/53/842768653.db2.gz GDGQCDNEMVSQTN-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033749 842768648 /nfs/dbraw/zinc/76/86/48/842768648.db2.gz GDGQCDNEMVSQTN-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033759 842768752 /nfs/dbraw/zinc/76/87/52/842768752.db2.gz GODOYOOHGSHTNU-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033759 842768747 /nfs/dbraw/zinc/76/87/47/842768747.db2.gz GODOYOOHGSHTNU-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033760 842769306 /nfs/dbraw/zinc/76/93/06/842769306.db2.gz GODOYOOHGSHTNU-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033760 842769294 /nfs/dbraw/zinc/76/92/94/842769294.db2.gz GODOYOOHGSHTNU-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104034112 842769271 /nfs/dbraw/zinc/76/92/71/842769271.db2.gz SNGGVJVVAKQSPY-KFWWJZLASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104034112 842769267 /nfs/dbraw/zinc/76/92/67/842769267.db2.gz SNGGVJVVAKQSPY-KFWWJZLASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104034113 842768738 /nfs/dbraw/zinc/76/87/38/842768738.db2.gz SNGGVJVVAKQSPY-RBSFLKMASA-N 2 1 351.451 -0.969 20 30 FBEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104034113 842768735 /nfs/dbraw/zinc/76/87/35/842768735.db2.gz SNGGVJVVAKQSPY-RBSFLKMASA-N 2 1 351.451 -0.969 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106266400 837053688 /nfs/dbraw/zinc/05/36/88/837053688.db2.gz HWIGPIXYKLYQJL-OAGGEKHMSA-N 2 1 355.504 -0.187 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106266400 837053680 /nfs/dbraw/zinc/05/36/80/837053680.db2.gz HWIGPIXYKLYQJL-OAGGEKHMSA-N 2 1 355.504 -0.187 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106266604 837054458 /nfs/dbraw/zinc/05/44/58/837054458.db2.gz SNWSDALTKWINOR-OAGGEKHMSA-N 2 1 370.519 -0.683 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106266604 837054446 /nfs/dbraw/zinc/05/44/46/837054446.db2.gz SNWSDALTKWINOR-OAGGEKHMSA-N 2 1 370.519 -0.683 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309590 837063149 /nfs/dbraw/zinc/06/31/49/837063149.db2.gz AINXTRIDMLGKRZ-KLHDSHLOSA-N 2 1 352.479 -0.308 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309590 837063143 /nfs/dbraw/zinc/06/31/43/837063143.db2.gz AINXTRIDMLGKRZ-KLHDSHLOSA-N 2 1 352.479 -0.308 20 30 FBEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106310497 837063101 /nfs/dbraw/zinc/06/31/01/837063101.db2.gz RFNOGSLGQLOXFR-KBUPBQIOSA-N 2 1 351.451 -0.971 20 30 FBEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106310497 837063093 /nfs/dbraw/zinc/06/30/93/837063093.db2.gz RFNOGSLGQLOXFR-KBUPBQIOSA-N 2 1 351.451 -0.971 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310610 837062880 /nfs/dbraw/zinc/06/28/80/837062880.db2.gz VJEFSXLIYDJHBB-KLHDSHLOSA-N 2 1 350.463 -0.861 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310610 837062876 /nfs/dbraw/zinc/06/28/76/837062876.db2.gz VJEFSXLIYDJHBB-KLHDSHLOSA-N 2 1 350.463 -0.861 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766547 837112169 /nfs/dbraw/zinc/11/21/69/837112169.db2.gz JYNJKAWFUYXKGI-HZPDHXFCSA-N 2 1 350.463 -0.858 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766773 837111788 /nfs/dbraw/zinc/11/17/88/837111788.db2.gz TXKKSOIHUNSVSW-HZPDHXFCSA-N 2 1 352.479 -0.305 20 30 FBEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106766881 837111745 /nfs/dbraw/zinc/11/17/45/837111745.db2.gz WAXJKUCBBSJFBD-HUUCEWRRSA-N 2 1 351.451 -0.967 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009025 837214622 /nfs/dbraw/zinc/21/46/22/837214622.db2.gz IBQGWPSKMZRGMN-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009025 837214613 /nfs/dbraw/zinc/21/46/13/837214613.db2.gz IBQGWPSKMZRGMN-BZUAXINKSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009026 837214737 /nfs/dbraw/zinc/21/47/37/837214737.db2.gz IBQGWPSKMZRGMN-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009026 837214729 /nfs/dbraw/zinc/21/47/29/837214729.db2.gz IBQGWPSKMZRGMN-OAGGEKHMSA-N 2 1 352.479 -0.307 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009178 837215245 /nfs/dbraw/zinc/21/52/45/837215245.db2.gz MUSVLOTUNGVMON-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009178 837215236 /nfs/dbraw/zinc/21/52/36/837215236.db2.gz MUSVLOTUNGVMON-BZUAXINKSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009184 837214640 /nfs/dbraw/zinc/21/46/40/837214640.db2.gz MUSVLOTUNGVMON-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009184 837214635 /nfs/dbraw/zinc/21/46/35/837214635.db2.gz MUSVLOTUNGVMON-OAGGEKHMSA-N 2 1 350.463 -0.859 20 30 FBEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001107009547 837214946 /nfs/dbraw/zinc/21/49/46/837214946.db2.gz UUPQBRJFFTVKHI-KFWWJZLASA-N 2 1 351.451 -0.969 20 30 FBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001107009547 837214941 /nfs/dbraw/zinc/21/49/41/837214941.db2.gz UUPQBRJFFTVKHI-KFWWJZLASA-N 2 1 351.451 -0.969 20 30 FBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001107009551 837215065 /nfs/dbraw/zinc/21/50/65/837215065.db2.gz UUPQBRJFFTVKHI-RBSFLKMASA-N 2 1 351.451 -0.969 20 30 FBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001107009551 837215056 /nfs/dbraw/zinc/21/50/56/837215056.db2.gz UUPQBRJFFTVKHI-RBSFLKMASA-N 2 1 351.451 -0.969 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980179 839455128 /nfs/dbraw/zinc/45/51/28/839455128.db2.gz LGZFYGVZICKBBV-FZKCQIBNSA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980179 839455120 /nfs/dbraw/zinc/45/51/20/839455120.db2.gz LGZFYGVZICKBBV-FZKCQIBNSA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980180 839454841 /nfs/dbraw/zinc/45/48/41/839454841.db2.gz LGZFYGVZICKBBV-WCVJEAGWSA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980180 839454838 /nfs/dbraw/zinc/45/48/38/839454838.db2.gz LGZFYGVZICKBBV-WCVJEAGWSA-N 2 1 350.463 -0.576 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980762 839454584 /nfs/dbraw/zinc/45/45/84/839454584.db2.gz ZJSVKTSVORCLBZ-FZKCQIBNSA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980762 839454583 /nfs/dbraw/zinc/45/45/83/839454583.db2.gz ZJSVKTSVORCLBZ-FZKCQIBNSA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980763 839454704 /nfs/dbraw/zinc/45/47/04/839454704.db2.gz ZJSVKTSVORCLBZ-WCVJEAGWSA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980763 839454701 /nfs/dbraw/zinc/45/47/01/839454701.db2.gz ZJSVKTSVORCLBZ-WCVJEAGWSA-N 2 1 352.479 -0.023 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281275 842067483 /nfs/dbraw/zinc/06/74/83/842067483.db2.gz LGZFYGVZICKBBV-FPCVCCKLSA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281275 842067470 /nfs/dbraw/zinc/06/74/70/842067470.db2.gz LGZFYGVZICKBBV-FPCVCCKLSA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281276 842067620 /nfs/dbraw/zinc/06/76/20/842067620.db2.gz LGZFYGVZICKBBV-JJXSEGSLSA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281276 842067611 /nfs/dbraw/zinc/06/76/11/842067611.db2.gz LGZFYGVZICKBBV-JJXSEGSLSA-N 2 1 350.463 -0.576 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281601 842067435 /nfs/dbraw/zinc/06/74/35/842067435.db2.gz ZJSVKTSVORCLBZ-FPCVCCKLSA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281601 842067422 /nfs/dbraw/zinc/06/74/22/842067422.db2.gz ZJSVKTSVORCLBZ-FPCVCCKLSA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281602 842067395 /nfs/dbraw/zinc/06/73/95/842067395.db2.gz ZJSVKTSVORCLBZ-JJXSEGSLSA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281602 842067393 /nfs/dbraw/zinc/06/73/93/842067393.db2.gz ZJSVKTSVORCLBZ-JJXSEGSLSA-N 2 1 352.479 -0.023 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937956 842817084 /nfs/dbraw/zinc/81/70/84/842817084.db2.gz DMQWHOHWZUTJLA-YJBOKZPZSA-N 2 1 350.463 -0.715 20 30 FBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937956 842817076 /nfs/dbraw/zinc/81/70/76/842817076.db2.gz DMQWHOHWZUTJLA-YJBOKZPZSA-N 2 1 350.463 -0.715 20 30 FBEDMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111938010 842817556 /nfs/dbraw/zinc/81/75/56/842817556.db2.gz HHJTVUHGABQZIY-YOEHRIQHSA-N 2 1 351.451 -0.825 20 30 FBEDMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111938010 842817550 /nfs/dbraw/zinc/81/75/50/842817550.db2.gz HHJTVUHGABQZIY-YOEHRIQHSA-N 2 1 351.451 -0.825 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938406 842817652 /nfs/dbraw/zinc/81/76/52/842817652.db2.gz ZSZMXENWHULTFB-YJBOKZPZSA-N 2 1 352.479 -0.163 20 30 FBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938406 842817646 /nfs/dbraw/zinc/81/76/46/842817646.db2.gz ZSZMXENWHULTFB-YJBOKZPZSA-N 2 1 352.479 -0.163 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070861 842831423 /nfs/dbraw/zinc/83/14/23/842831423.db2.gz JACXBGFQUDLZLX-JHJVBQTASA-N 2 1 360.380 -0.191 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070861 842831413 /nfs/dbraw/zinc/83/14/13/842831413.db2.gz JACXBGFQUDLZLX-JHJVBQTASA-N 2 1 360.380 -0.191 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070862 842830110 /nfs/dbraw/zinc/83/01/10/842830110.db2.gz JACXBGFQUDLZLX-UPJWGTAASA-N 2 1 360.380 -0.191 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070862 842830098 /nfs/dbraw/zinc/83/00/98/842830098.db2.gz JACXBGFQUDLZLX-UPJWGTAASA-N 2 1 360.380 -0.191 20 30 FBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112071084 842831099 /nfs/dbraw/zinc/83/10/99/842831099.db2.gz PVCDETYGILFRDA-IJLUTSLNSA-N 2 1 361.368 -0.301 20 30 FBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112071084 842831092 /nfs/dbraw/zinc/83/10/92/842831092.db2.gz PVCDETYGILFRDA-IJLUTSLNSA-N 2 1 361.368 -0.301 20 30 FBEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112071085 842831188 /nfs/dbraw/zinc/83/11/88/842831188.db2.gz PVCDETYGILFRDA-UTUOFQBUSA-N 2 1 361.368 -0.301 20 30 FBEDMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112071085 842831177 /nfs/dbraw/zinc/83/11/77/842831177.db2.gz PVCDETYGILFRDA-UTUOFQBUSA-N 2 1 361.368 -0.301 20 30 FBEDMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001112120440 842845699 /nfs/dbraw/zinc/84/56/99/842845699.db2.gz TXOOAYIWAMPYEO-IJLUTSLNSA-N 2 1 363.384 -0.055 20 30 FBEDMP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112154656 836243472 /nfs/dbraw/zinc/24/34/72/836243472.db2.gz WHFDUBIBMXINAB-VXGBXAGGSA-N 2 1 363.384 -0.053 20 30 FBEDMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001112168066 842853109 /nfs/dbraw/zinc/85/31/09/842853109.db2.gz TXOOAYIWAMPYEO-UTUOFQBUSA-N 2 1 363.384 -0.055 20 30 FBEDMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112182245 836367331 /nfs/dbraw/zinc/36/73/31/836367331.db2.gz WSUPXEZQJGYOTO-VXGBXAGGSA-N 2 1 363.384 -0.053 20 30 FBEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112190052 842858024 /nfs/dbraw/zinc/85/80/24/842858024.db2.gz JBUJRUQDAYWPJS-VXGBXAGGSA-N 2 1 363.384 -0.053 20 30 FBEDMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112190052 842858012 /nfs/dbraw/zinc/85/80/12/842858012.db2.gz JBUJRUQDAYWPJS-VXGBXAGGSA-N 2 1 363.384 -0.053 20 30 FBEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112198274 842859902 /nfs/dbraw/zinc/85/99/02/842859902.db2.gz LXKQPLAXEXFAGN-VXGBXAGGSA-N 2 1 363.384 -0.053 20 30 FBEDMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112198274 842859895 /nfs/dbraw/zinc/85/98/95/842859895.db2.gz LXKQPLAXEXFAGN-VXGBXAGGSA-N 2 1 363.384 -0.053 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205928 842863050 /nfs/dbraw/zinc/86/30/50/842863050.db2.gz DZKFGECUVJLYJH-JHJVBQTASA-N 2 1 360.380 -0.334 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205928 842863039 /nfs/dbraw/zinc/86/30/39/842863039.db2.gz DZKFGECUVJLYJH-JHJVBQTASA-N 2 1 360.380 -0.334 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205929 842863082 /nfs/dbraw/zinc/86/30/82/842863082.db2.gz DZKFGECUVJLYJH-YNEHKIRRSA-N 2 1 360.380 -0.334 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205929 842863075 /nfs/dbraw/zinc/86/30/75/842863075.db2.gz DZKFGECUVJLYJH-YNEHKIRRSA-N 2 1 360.380 -0.334 20 30 FBEDMP N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206342 842862167 /nfs/dbraw/zinc/86/21/67/842862167.db2.gz ONZQLLLPXJKQDE-VXGBXAGGSA-N 2 1 361.368 -0.299 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206585 842862061 /nfs/dbraw/zinc/86/20/61/842862061.db2.gz VMKQXCSROHOSTL-CHWSQXEVSA-N 2 1 360.380 -0.190 20 30 FBEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001112206637 842862038 /nfs/dbraw/zinc/86/20/38/842862038.db2.gz YTWKZFIUYQTKPP-IJLUTSLNSA-N 2 1 361.368 -0.443 20 30 FBEDMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001112206637 842862021 /nfs/dbraw/zinc/86/20/21/842862021.db2.gz YTWKZFIUYQTKPP-IJLUTSLNSA-N 2 1 361.368 -0.443 20 30 FBEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001112206638 842863221 /nfs/dbraw/zinc/86/32/21/842863221.db2.gz YTWKZFIUYQTKPP-QJPTWQEYSA-N 2 1 361.368 -0.443 20 30 FBEDMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001112206638 842863213 /nfs/dbraw/zinc/86/32/13/842863213.db2.gz YTWKZFIUYQTKPP-QJPTWQEYSA-N 2 1 361.368 -0.443 20 30 FBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112211870 842864094 /nfs/dbraw/zinc/86/40/94/842864094.db2.gz AQSXADDBPSFSJW-VXGBXAGGSA-N 2 1 363.384 -0.055 20 30 FBEDMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112211870 842864084 /nfs/dbraw/zinc/86/40/84/842864084.db2.gz AQSXADDBPSFSJW-VXGBXAGGSA-N 2 1 363.384 -0.055 20 30 FBEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085981 839577352 /nfs/dbraw/zinc/57/73/52/839577352.db2.gz GODWWLKRDZLVSW-KGLIPLIRSA-N 2 1 356.858 -0.050 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158390062 843861693 /nfs/dbraw/zinc/86/16/93/843861693.db2.gz PIRKLJBFCKVCCB-BFHYXJOUSA-N 2 1 353.467 -0.177 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158390063 843861331 /nfs/dbraw/zinc/86/13/31/843861331.db2.gz PIRKLJBFCKVCCB-MGPQQGTHSA-N 2 1 353.467 -0.177 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158404064 843861237 /nfs/dbraw/zinc/86/12/37/843861237.db2.gz PBLDELQJNBZLGM-UONOGXRCSA-N 2 1 353.467 -0.176 20 30 FBEDMP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862282 843911517 /nfs/dbraw/zinc/91/15/17/843911517.db2.gz KYAFLGOMUSHXON-HUUCEWRRSA-N 2 1 353.467 -0.436 20 30 FBEDMP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862282 843911515 /nfs/dbraw/zinc/91/15/15/843911515.db2.gz KYAFLGOMUSHXON-HUUCEWRRSA-N 2 1 353.467 -0.436 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165711407 843953545 /nfs/dbraw/zinc/95/35/45/843953545.db2.gz NBEABTNMCIXCSC-HUUCEWRRSA-N 2 1 352.479 -0.116 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165711407 843953538 /nfs/dbraw/zinc/95/35/38/843953538.db2.gz NBEABTNMCIXCSC-HUUCEWRRSA-N 2 1 352.479 -0.116 20 30 FBEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)O1 ZINC001165711965 843954104 /nfs/dbraw/zinc/95/41/04/843954104.db2.gz YUKUAYOCUOQSAG-ZIAGYGMSSA-N 2 1 351.451 -0.779 20 30 FBEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)O1 ZINC001165711965 843954098 /nfs/dbraw/zinc/95/40/98/843954098.db2.gz YUKUAYOCUOQSAG-ZIAGYGMSSA-N 2 1 351.451 -0.779 20 30 FBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728955 843953872 /nfs/dbraw/zinc/95/38/72/843953872.db2.gz WOPAGXIXNGOLMY-HUUCEWRRSA-N 2 1 350.463 -0.669 20 30 FBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728955 843953868 /nfs/dbraw/zinc/95/38/68/843953868.db2.gz WOPAGXIXNGOLMY-HUUCEWRRSA-N 2 1 350.463 -0.669 20 30 FBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485711 840256626 /nfs/dbraw/zinc/25/66/26/840256626.db2.gz CJNQHPWQZCOYAM-RBSFLKMASA-N 2 1 353.467 -0.390 20 30 FBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485711 840256620 /nfs/dbraw/zinc/25/66/20/840256620.db2.gz CJNQHPWQZCOYAM-RBSFLKMASA-N 2 1 353.467 -0.390 20 30 FBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485712 840256824 /nfs/dbraw/zinc/25/68/24/840256824.db2.gz CJNQHPWQZCOYAM-RRFJBIMHSA-N 2 1 353.467 -0.390 20 30 FBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485712 840256815 /nfs/dbraw/zinc/25/68/15/840256815.db2.gz CJNQHPWQZCOYAM-RRFJBIMHSA-N 2 1 353.467 -0.390 20 30 FBEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500235 840257092 /nfs/dbraw/zinc/25/70/92/840257092.db2.gz JENHWXFJNIKAPP-ARFHVFGLSA-N 2 1 352.479 -0.281 20 30 FBEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500235 840257083 /nfs/dbraw/zinc/25/70/83/840257083.db2.gz JENHWXFJNIKAPP-ARFHVFGLSA-N 2 1 352.479 -0.281 20 30 FBEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500236 840257006 /nfs/dbraw/zinc/25/70/06/840257006.db2.gz JENHWXFJNIKAPP-BZUAXINKSA-N 2 1 352.479 -0.281 20 30 FBEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500236 840256998 /nfs/dbraw/zinc/25/69/98/840256998.db2.gz JENHWXFJNIKAPP-BZUAXINKSA-N 2 1 352.479 -0.281 20 30 FBEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810863 840344484 /nfs/dbraw/zinc/34/44/84/840344484.db2.gz MWIOHZHQJZDSJF-HZPDHXFCSA-N 2 1 352.479 -0.279 20 30 FBEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810863 840344483 /nfs/dbraw/zinc/34/44/83/840344483.db2.gz MWIOHZHQJZDSJF-HZPDHXFCSA-N 2 1 352.479 -0.279 20 30 FBEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)O1 ZINC001178811117 840344411 /nfs/dbraw/zinc/34/44/11/840344411.db2.gz RFFCRNGTRYBWQY-HUUCEWRRSA-N 2 1 353.467 -0.389 20 30 FBEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)O1 ZINC001178811117 840344403 /nfs/dbraw/zinc/34/44/03/840344403.db2.gz RFFCRNGTRYBWQY-HUUCEWRRSA-N 2 1 353.467 -0.389 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676650 840436463 /nfs/dbraw/zinc/43/64/63/840436463.db2.gz PFMZMWROOSOOON-MGPQQGTHSA-N 2 1 351.451 -0.471 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034821 840659889 /nfs/dbraw/zinc/65/98/89/840659889.db2.gz OMFDVUIROOSNFP-UONOGXRCSA-N 2 1 351.451 -0.517 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034821 840659882 /nfs/dbraw/zinc/65/98/82/840659882.db2.gz OMFDVUIROOSNFP-UONOGXRCSA-N 2 1 351.451 -0.517 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820104 840700000 /nfs/dbraw/zinc/70/00/00/840700000.db2.gz PIVNZPLDYIUNNR-HRCADAONSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820104 840699996 /nfs/dbraw/zinc/69/99/96/840699996.db2.gz PIVNZPLDYIUNNR-HRCADAONSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820105 840700143 /nfs/dbraw/zinc/70/01/43/840700143.db2.gz PIVNZPLDYIUNNR-OWCLPIDISA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820105 840700140 /nfs/dbraw/zinc/70/01/40/840700140.db2.gz PIVNZPLDYIUNNR-OWCLPIDISA-N 2 1 352.479 -0.212 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820244 840700105 /nfs/dbraw/zinc/70/01/05/840700105.db2.gz XYRVBLGGYAFVRS-HRCADAONSA-N 2 1 350.463 -0.765 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820244 840700098 /nfs/dbraw/zinc/70/00/98/840700098.db2.gz XYRVBLGGYAFVRS-HRCADAONSA-N 2 1 350.463 -0.765 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820245 840699828 /nfs/dbraw/zinc/69/98/28/840699828.db2.gz XYRVBLGGYAFVRS-OWCLPIDISA-N 2 1 350.463 -0.765 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820245 840699823 /nfs/dbraw/zinc/69/98/23/840699823.db2.gz XYRVBLGGYAFVRS-OWCLPIDISA-N 2 1 350.463 -0.765 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193069139 840994610 /nfs/dbraw/zinc/99/46/10/840994610.db2.gz YZLHRCTZCSDXHL-HZPDHXFCSA-N 2 1 351.451 -0.578 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193069139 840994606 /nfs/dbraw/zinc/99/46/06/840994606.db2.gz YZLHRCTZCSDXHL-HZPDHXFCSA-N 2 1 351.451 -0.578 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103087 841120006 /nfs/dbraw/zinc/12/00/06/841120006.db2.gz UNIHNBOGRVZKRH-HZPDHXFCSA-N 2 1 355.479 -0.291 20 30 FBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832436 841190878 /nfs/dbraw/zinc/19/08/78/841190878.db2.gz OOGFFDMCWLDOHO-DSZOFWSKSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832436 841190869 /nfs/dbraw/zinc/19/08/69/841190869.db2.gz OOGFFDMCWLDOHO-DSZOFWSKSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832436 841190860 /nfs/dbraw/zinc/19/08/60/841190860.db2.gz OOGFFDMCWLDOHO-DSZOFWSKSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832436 841190851 /nfs/dbraw/zinc/19/08/51/841190851.db2.gz OOGFFDMCWLDOHO-DSZOFWSKSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832440 841190647 /nfs/dbraw/zinc/19/06/47/841190647.db2.gz OOGFFDMCWLDOHO-YLADIXGZSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832440 841190641 /nfs/dbraw/zinc/19/06/41/841190641.db2.gz OOGFFDMCWLDOHO-YLADIXGZSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832440 841190637 /nfs/dbraw/zinc/19/06/37/841190637.db2.gz OOGFFDMCWLDOHO-YLADIXGZSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832440 841190633 /nfs/dbraw/zinc/19/06/33/841190633.db2.gz OOGFFDMCWLDOHO-YLADIXGZSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306447 841338048 /nfs/dbraw/zinc/33/80/48/841338048.db2.gz CVAGGBISFRWLRQ-BRWVUGGUSA-N 2 1 355.479 -0.149 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306448 841337264 /nfs/dbraw/zinc/33/72/64/841337264.db2.gz CVAGGBISFRWLRQ-GVDBMIGSSA-N 2 1 355.479 -0.149 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798836 841391603 /nfs/dbraw/zinc/39/16/03/841391603.db2.gz WAOOQUUGRLSUQY-HZPDHXFCSA-N 2 1 351.451 -0.578 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798836 841391594 /nfs/dbraw/zinc/39/15/94/841391594.db2.gz WAOOQUUGRLSUQY-HZPDHXFCSA-N 2 1 351.451 -0.578 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)CC1 ZINC001199029048 841622382 /nfs/dbraw/zinc/62/23/82/841622382.db2.gz DPCYBICRVQLOAJ-HUUCEWRRSA-N 2 1 359.417 -0.225 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)CC1 ZINC001199029048 841622377 /nfs/dbraw/zinc/62/23/77/841622377.db2.gz DPCYBICRVQLOAJ-HUUCEWRRSA-N 2 1 359.417 -0.225 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2O)CC1 ZINC001199030598 841623291 /nfs/dbraw/zinc/62/32/91/841623291.db2.gz UNLFKKAQRMSGPE-IAGOWNOFSA-N 2 1 353.463 -0.844 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2O)CC1 ZINC001199030598 841623286 /nfs/dbraw/zinc/62/32/86/841623286.db2.gz UNLFKKAQRMSGPE-IAGOWNOFSA-N 2 1 353.463 -0.844 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536576 852208351 /nfs/dbraw/zinc/20/83/51/852208351.db2.gz DABLSLYIHBWPOC-BZUAXINKSA-N 2 1 352.479 -0.164 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536579 852208656 /nfs/dbraw/zinc/20/86/56/852208656.db2.gz DABLSLYIHBWPOC-OWCLPIDISA-N 2 1 352.479 -0.164 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536793 852209606 /nfs/dbraw/zinc/20/96/06/852209606.db2.gz GYKNACLXGHOIHR-BZUAXINKSA-N 2 1 350.463 -0.717 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536798 852209489 /nfs/dbraw/zinc/20/94/89/852209489.db2.gz GYKNACLXGHOIHR-OWCLPIDISA-N 2 1 350.463 -0.717 20 30 FBEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001200537107 852209538 /nfs/dbraw/zinc/20/95/38/852209538.db2.gz KTMPXJJMWCGXFX-QLFBSQMISA-N 2 1 351.451 -0.827 20 30 FBEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001200537108 852209812 /nfs/dbraw/zinc/20/98/12/852209812.db2.gz KTMPXJJMWCGXFX-RBSFLKMASA-N 2 1 351.451 -0.827 20 30 FBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200788520 852242242 /nfs/dbraw/zinc/24/22/42/852242242.db2.gz ZCEDUOVSSNPMIQ-BRWVUGGUSA-N 2 1 353.463 -0.438 20 30 FBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200788526 852242346 /nfs/dbraw/zinc/24/23/46/852242346.db2.gz ZCEDUOVSSNPMIQ-IXDOHACOSA-N 2 1 353.463 -0.438 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229630 841710510 /nfs/dbraw/zinc/71/05/10/841710510.db2.gz DUKRRWLZZMOZSC-IIAWOOMASA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229630 841710504 /nfs/dbraw/zinc/71/05/04/841710504.db2.gz DUKRRWLZZMOZSC-IIAWOOMASA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229631 841710803 /nfs/dbraw/zinc/71/08/03/841710803.db2.gz DUKRRWLZZMOZSC-IJEWVQPXSA-N 2 1 350.463 -0.576 20 30 FBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229631 841710795 /nfs/dbraw/zinc/71/07/95/841710795.db2.gz DUKRRWLZZMOZSC-IJEWVQPXSA-N 2 1 350.463 -0.576 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230471 841710562 /nfs/dbraw/zinc/71/05/62/841710562.db2.gz SGVFWMBYGNUYKK-IIAWOOMASA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230471 841710555 /nfs/dbraw/zinc/71/05/55/841710555.db2.gz SGVFWMBYGNUYKK-IIAWOOMASA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230472 841710940 /nfs/dbraw/zinc/71/09/40/841710940.db2.gz SGVFWMBYGNUYKK-IJEWVQPXSA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230472 841710930 /nfs/dbraw/zinc/71/09/30/841710930.db2.gz SGVFWMBYGNUYKK-IJEWVQPXSA-N 2 1 352.479 -0.023 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205515787 843972971 /nfs/dbraw/zinc/97/29/71/843972971.db2.gz DNHGCGUCUBQIOY-GDBMZVCRSA-N 2 1 352.479 -0.164 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205515787 843972969 /nfs/dbraw/zinc/97/29/69/843972969.db2.gz DNHGCGUCUBQIOY-GDBMZVCRSA-N 2 1 352.479 -0.164 20 30 FBEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)O1 ZINC001205515909 843972961 /nfs/dbraw/zinc/97/29/61/843972961.db2.gz FTAZVUXLOUSEMX-UKRRQHHQSA-N 2 1 351.451 -0.827 20 30 FBEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)O1 ZINC001205515909 843972959 /nfs/dbraw/zinc/97/29/59/843972959.db2.gz FTAZVUXLOUSEMX-UKRRQHHQSA-N 2 1 351.451 -0.827 20 30 FBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205515978 843972985 /nfs/dbraw/zinc/97/29/85/843972985.db2.gz IFNKPMLJIRMTAT-GDBMZVCRSA-N 2 1 350.463 -0.717 20 30 FBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205515978 843972983 /nfs/dbraw/zinc/97/29/83/843972983.db2.gz IFNKPMLJIRMTAT-GDBMZVCRSA-N 2 1 350.463 -0.717 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208438517 844098759 /nfs/dbraw/zinc/09/87/59/844098759.db2.gz ZSOHIBMTJYWBGP-ZIAGYGMSSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208438517 844098747 /nfs/dbraw/zinc/09/87/47/844098747.db2.gz ZSOHIBMTJYWBGP-ZIAGYGMSSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495942 844104115 /nfs/dbraw/zinc/10/41/15/844104115.db2.gz DUGIMRVSGLASLN-HZSPNIEDSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495942 844104113 /nfs/dbraw/zinc/10/41/13/844104113.db2.gz DUGIMRVSGLASLN-HZSPNIEDSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495943 844104180 /nfs/dbraw/zinc/10/41/80/844104180.db2.gz DUGIMRVSGLASLN-MGPQQGTHSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495943 844104177 /nfs/dbraw/zinc/10/41/77/844104177.db2.gz DUGIMRVSGLASLN-MGPQQGTHSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835858 844163943 /nfs/dbraw/zinc/16/39/43/844163943.db2.gz CHGOXTREHGDBNN-GDBMZVCRSA-N 2 1 352.479 -0.164 20 30 FBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835858 844163936 /nfs/dbraw/zinc/16/39/36/844163936.db2.gz CHGOXTREHGDBNN-GDBMZVCRSA-N 2 1 352.479 -0.164 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836686 844163789 /nfs/dbraw/zinc/16/37/89/844163789.db2.gz PSAUAQIXXBFCQJ-GDBMZVCRSA-N 2 1 350.463 -0.717 20 30 FBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836686 844163786 /nfs/dbraw/zinc/16/37/86/844163786.db2.gz PSAUAQIXXBFCQJ-GDBMZVCRSA-N 2 1 350.463 -0.717 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033531 844171341 /nfs/dbraw/zinc/17/13/41/844171341.db2.gz SDGLDEGKOPFUST-ZIAGYGMSSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033531 844171337 /nfs/dbraw/zinc/17/13/37/844171337.db2.gz SDGLDEGKOPFUST-ZIAGYGMSSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210033531 844171332 /nfs/dbraw/zinc/17/13/32/844171332.db2.gz SDGLDEGKOPFUST-ZIAGYGMSSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210033531 844171322 /nfs/dbraw/zinc/17/13/22/844171322.db2.gz SDGLDEGKOPFUST-ZIAGYGMSSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001210315168 844184670 /nfs/dbraw/zinc/18/46/70/844184670.db2.gz KWSNYEPHVXUTQU-BZUAXINKSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001210315168 844184664 /nfs/dbraw/zinc/18/46/64/844184664.db2.gz KWSNYEPHVXUTQU-BZUAXINKSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001210315169 844185042 /nfs/dbraw/zinc/18/50/42/844185042.db2.gz KWSNYEPHVXUTQU-OAGGEKHMSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001210315169 844185037 /nfs/dbraw/zinc/18/50/37/844185037.db2.gz KWSNYEPHVXUTQU-OAGGEKHMSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211025983 844207888 /nfs/dbraw/zinc/20/78/88/844207888.db2.gz QPXBIBDBHXRPQD-HZSPNIEDSA-N 2 1 351.451 -0.614 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211025983 844207881 /nfs/dbraw/zinc/20/78/81/844207881.db2.gz QPXBIBDBHXRPQD-HZSPNIEDSA-N 2 1 351.451 -0.614 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211025983 844207870 /nfs/dbraw/zinc/20/78/70/844207870.db2.gz QPXBIBDBHXRPQD-HZSPNIEDSA-N 2 1 351.451 -0.614 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211025983 844207860 /nfs/dbraw/zinc/20/78/60/844207860.db2.gz QPXBIBDBHXRPQD-HZSPNIEDSA-N 2 1 351.451 -0.614 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211025984 844208545 /nfs/dbraw/zinc/20/85/45/844208545.db2.gz QPXBIBDBHXRPQD-MGPQQGTHSA-N 2 1 351.451 -0.614 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211025984 844208536 /nfs/dbraw/zinc/20/85/36/844208536.db2.gz QPXBIBDBHXRPQD-MGPQQGTHSA-N 2 1 351.451 -0.614 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211025984 844208526 /nfs/dbraw/zinc/20/85/26/844208526.db2.gz QPXBIBDBHXRPQD-MGPQQGTHSA-N 2 1 351.451 -0.614 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211025984 844208515 /nfs/dbraw/zinc/20/85/15/844208515.db2.gz QPXBIBDBHXRPQD-MGPQQGTHSA-N 2 1 351.451 -0.614 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)CC1 ZINC001211306873 844224038 /nfs/dbraw/zinc/22/40/38/844224038.db2.gz KFGGKXRXXOTDNX-GDBMZVCRSA-N 2 1 370.519 -0.683 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)CC1 ZINC001211306873 844224029 /nfs/dbraw/zinc/22/40/29/844224029.db2.gz KFGGKXRXXOTDNX-GDBMZVCRSA-N 2 1 370.519 -0.683 20 30 FBEDMP C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483491 837544055 /nfs/dbraw/zinc/54/40/55/837544055.db2.gz KBDPQOXHQMFFSX-RBSFLKMASA-N 2 1 352.479 -0.330 20 30 FBEDMP C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483492 837543381 /nfs/dbraw/zinc/54/33/81/837543381.db2.gz KBDPQOXHQMFFSX-RRFJBIMHSA-N 2 1 352.479 -0.330 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863738 844403795 /nfs/dbraw/zinc/40/37/95/844403795.db2.gz RGDULSGWLVBQNY-BRWVUGGUSA-N 2 1 355.479 -0.027 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863739 844403843 /nfs/dbraw/zinc/40/38/43/844403843.db2.gz RGDULSGWLVBQNY-GVDBMIGSSA-N 2 1 355.479 -0.027 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2OC)CC1 ZINC001213914579 844416911 /nfs/dbraw/zinc/41/69/11/844416911.db2.gz MAJIULOFYTUPPM-BRWVUGGUSA-N 2 1 353.463 -0.846 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2OC)CC1 ZINC001213914580 844416748 /nfs/dbraw/zinc/41/67/48/844416748.db2.gz MAJIULOFYTUPPM-GVDBMIGSSA-N 2 1 353.463 -0.846 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2OC)CC1 ZINC001213914715 844416767 /nfs/dbraw/zinc/41/67/67/844416767.db2.gz TUOKFONJZQSJEE-IAGOWNOFSA-N 2 1 353.463 -0.844 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214344473 844458563 /nfs/dbraw/zinc/45/85/63/844458563.db2.gz URSSDILRRAQSMW-MCIONIFRSA-N 2 1 351.451 -0.471 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214344475 844458546 /nfs/dbraw/zinc/45/85/46/844458546.db2.gz URSSDILRRAQSMW-MGPQQGTHSA-N 2 1 351.451 -0.471 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001214878761 844506622 /nfs/dbraw/zinc/50/66/22/844506622.db2.gz FRSRHNQAVOCMNM-OAGGEKHMSA-N 2 1 370.519 -0.540 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001214878761 844506621 /nfs/dbraw/zinc/50/66/21/844506621.db2.gz FRSRHNQAVOCMNM-OAGGEKHMSA-N 2 1 370.519 -0.540 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214879017 844506032 /nfs/dbraw/zinc/50/60/32/844506032.db2.gz MEEAHWZLFYTYEI-OAGGEKHMSA-N 2 1 355.504 -0.045 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214879017 844506025 /nfs/dbraw/zinc/50/60/25/844506025.db2.gz MEEAHWZLFYTYEI-OAGGEKHMSA-N 2 1 355.504 -0.045 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214879036 844506598 /nfs/dbraw/zinc/50/65/98/844506598.db2.gz MNIWRQBVQJYGKV-KFWWJZLASA-N 2 1 356.492 -0.930 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214879036 844506593 /nfs/dbraw/zinc/50/65/93/844506593.db2.gz MNIWRQBVQJYGKV-KFWWJZLASA-N 2 1 356.492 -0.930 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001214880908 844506452 /nfs/dbraw/zinc/50/64/52/844506452.db2.gz YQEMIYUMEIMKHS-OAGGEKHMSA-N 2 1 370.519 -0.588 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001214880908 844506447 /nfs/dbraw/zinc/50/64/47/844506447.db2.gz YQEMIYUMEIMKHS-OAGGEKHMSA-N 2 1 370.519 -0.588 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392815 844542096 /nfs/dbraw/zinc/54/20/96/844542096.db2.gz COVJAQYTCUMYSJ-BZUAXINKSA-N 2 1 350.463 -0.719 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392815 844542091 /nfs/dbraw/zinc/54/20/91/844542091.db2.gz COVJAQYTCUMYSJ-BZUAXINKSA-N 2 1 350.463 -0.719 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392816 844542424 /nfs/dbraw/zinc/54/24/24/844542424.db2.gz COVJAQYTCUMYSJ-OAGGEKHMSA-N 2 1 350.463 -0.719 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392816 844542420 /nfs/dbraw/zinc/54/24/20/844542420.db2.gz COVJAQYTCUMYSJ-OAGGEKHMSA-N 2 1 350.463 -0.719 20 30 FBEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001215393186 844542697 /nfs/dbraw/zinc/54/26/97/844542697.db2.gz QZVCZUCYMSVOBH-KFWWJZLASA-N 2 1 351.451 -0.828 20 30 FBEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001215393186 844542693 /nfs/dbraw/zinc/54/26/93/844542693.db2.gz QZVCZUCYMSVOBH-KFWWJZLASA-N 2 1 351.451 -0.828 20 30 FBEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001215393187 844542295 /nfs/dbraw/zinc/54/22/95/844542295.db2.gz QZVCZUCYMSVOBH-RBSFLKMASA-N 2 1 351.451 -0.828 20 30 FBEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001215393187 844542292 /nfs/dbraw/zinc/54/22/92/844542292.db2.gz QZVCZUCYMSVOBH-RBSFLKMASA-N 2 1 351.451 -0.828 20 30 FBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393311 844542578 /nfs/dbraw/zinc/54/25/78/844542578.db2.gz XGQWJLXIDNIEPL-BZUAXINKSA-N 2 1 352.479 -0.166 20 30 FBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393311 844542576 /nfs/dbraw/zinc/54/25/76/844542576.db2.gz XGQWJLXIDNIEPL-BZUAXINKSA-N 2 1 352.479 -0.166 20 30 FBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393312 844542117 /nfs/dbraw/zinc/54/21/17/844542117.db2.gz XGQWJLXIDNIEPL-OAGGEKHMSA-N 2 1 352.479 -0.166 20 30 FBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393312 844542111 /nfs/dbraw/zinc/54/21/11/844542111.db2.gz XGQWJLXIDNIEPL-OAGGEKHMSA-N 2 1 352.479 -0.166 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938878 844570143 /nfs/dbraw/zinc/57/01/43/844570143.db2.gz PPCTWJWQRMMGAW-BZUAXINKSA-N 2 1 352.479 -0.164 20 30 FBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938881 844569808 /nfs/dbraw/zinc/56/98/08/844569808.db2.gz PPCTWJWQRMMGAW-OWCLPIDISA-N 2 1 352.479 -0.164 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938896 844570314 /nfs/dbraw/zinc/57/03/14/844570314.db2.gz PXXFFLNRNODSMU-BZUAXINKSA-N 2 1 350.463 -0.717 20 30 FBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938897 844569938 /nfs/dbraw/zinc/56/99/38/844569938.db2.gz PXXFFLNRNODSMU-OWCLPIDISA-N 2 1 350.463 -0.717 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216216793 844580243 /nfs/dbraw/zinc/58/02/43/844580243.db2.gz AOOMVFBUCYRACQ-ZIAGYGMSSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216503051 844590455 /nfs/dbraw/zinc/59/04/55/844590455.db2.gz LQRIKEKPNPSEDR-ZIAGYGMSSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754515 844602866 /nfs/dbraw/zinc/60/28/66/844602866.db2.gz YMJNUHUWRQXRGK-HZSPNIEDSA-N 2 1 351.451 -0.614 20 30 FBEDMP 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C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877893 845037325 /nfs/dbraw/zinc/03/73/25/845037325.db2.gz UNIHNBOGRVZKRH-CVEARBPZSA-N 2 1 355.479 -0.291 20 30 FBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034200 845104702 /nfs/dbraw/zinc/10/47/02/845104702.db2.gz OOGFFDMCWLDOHO-OWQJAQGESA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034200 845104697 /nfs/dbraw/zinc/10/46/97/845104697.db2.gz OOGFFDMCWLDOHO-OWQJAQGESA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034200 845104694 /nfs/dbraw/zinc/10/46/94/845104694.db2.gz OOGFFDMCWLDOHO-OWQJAQGESA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034200 845104689 /nfs/dbraw/zinc/10/46/89/845104689.db2.gz OOGFFDMCWLDOHO-OWQJAQGESA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034201 845105922 /nfs/dbraw/zinc/10/59/22/845105922.db2.gz OOGFFDMCWLDOHO-PLQZLIEUSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034201 845105915 /nfs/dbraw/zinc/10/59/15/845105915.db2.gz OOGFFDMCWLDOHO-PLQZLIEUSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034201 845105912 /nfs/dbraw/zinc/10/59/12/845105912.db2.gz OOGFFDMCWLDOHO-PLQZLIEUSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034201 845105907 /nfs/dbraw/zinc/10/59/07/845105907.db2.gz OOGFFDMCWLDOHO-PLQZLIEUSA-N 2 1 351.447 -0.787 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387132 845226075 /nfs/dbraw/zinc/22/60/75/845226075.db2.gz CVAGGBISFRWLRQ-BBWFWOEESA-N 2 1 355.479 -0.149 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387137 845225548 /nfs/dbraw/zinc/22/55/48/845225548.db2.gz CVAGGBISFRWLRQ-ZACQAIPSSA-N 2 1 355.479 -0.149 20 30 FBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517097 845279498 /nfs/dbraw/zinc/27/94/98/845279498.db2.gz WAOOQUUGRLSUQY-CVEARBPZSA-N 2 1 351.451 -0.578 20 30 FBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517097 845279487 /nfs/dbraw/zinc/27/94/87/845279487.db2.gz WAOOQUUGRLSUQY-CVEARBPZSA-N 2 1 351.451 -0.578 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)CC1 ZINC001221066070 845489409 /nfs/dbraw/zinc/48/94/09/845489409.db2.gz DPCYBICRVQLOAJ-CABCVRRESA-N 2 1 359.417 -0.225 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)CC1 ZINC001221066070 845489401 /nfs/dbraw/zinc/48/94/01/845489401.db2.gz DPCYBICRVQLOAJ-CABCVRRESA-N 2 1 359.417 -0.225 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]2O)CC1 ZINC001221066388 845490490 /nfs/dbraw/zinc/49/04/90/845490490.db2.gz UNLFKKAQRMSGPE-SJORKVTESA-N 2 1 353.463 -0.844 20 30 FBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@@H]2O)CC1 ZINC001221066388 845490483 /nfs/dbraw/zinc/49/04/83/845490483.db2.gz UNLFKKAQRMSGPE-SJORKVTESA-N 2 1 353.463 -0.844 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950419 845684003 /nfs/dbraw/zinc/68/40/03/845684003.db2.gz HBMDJOKRZMDBID-ARFHVFGLSA-N 2 1 350.463 -0.765 20 30 FBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950419 845683994 /nfs/dbraw/zinc/68/39/94/845683994.db2.gz HBMDJOKRZMDBID-ARFHVFGLSA-N 2 1 350.463 -0.765 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950420 845683872 /nfs/dbraw/zinc/68/38/72/845683872.db2.gz HBMDJOKRZMDBID-BZUAXINKSA-N 2 1 350.463 -0.765 20 30 FBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950420 845683868 /nfs/dbraw/zinc/68/38/68/845683868.db2.gz HBMDJOKRZMDBID-BZUAXINKSA-N 2 1 350.463 -0.765 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950582 845684339 /nfs/dbraw/zinc/68/43/39/845684339.db2.gz ORIQUISRPKMQOB-ARFHVFGLSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950582 845684336 /nfs/dbraw/zinc/68/43/36/845684336.db2.gz ORIQUISRPKMQOB-ARFHVFGLSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950583 845683850 /nfs/dbraw/zinc/68/38/50/845683850.db2.gz ORIQUISRPKMQOB-BZUAXINKSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950583 845683847 /nfs/dbraw/zinc/68/38/47/845683847.db2.gz ORIQUISRPKMQOB-BZUAXINKSA-N 2 1 352.479 -0.212 20 30 FBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916218 845771585 /nfs/dbraw/zinc/77/15/85/845771585.db2.gz ASIXMVQGRZIXLR-CVEARBPZSA-N 2 1 352.479 -0.210 20 30 FBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916218 845771571 /nfs/dbraw/zinc/77/15/71/845771571.db2.gz ASIXMVQGRZIXLR-CVEARBPZSA-N 2 1 352.479 -0.210 20 30 FBEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223916247 845771142 /nfs/dbraw/zinc/77/11/42/845771142.db2.gz COQKISJKTXJPQP-CABCVRRESA-N 2 1 351.451 -0.873 20 30 FBEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223916247 845771139 /nfs/dbraw/zinc/77/11/39/845771139.db2.gz COQKISJKTXJPQP-CABCVRRESA-N 2 1 351.451 -0.873 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916441 845771533 /nfs/dbraw/zinc/77/15/33/845771533.db2.gz IQEKJHIYFSSSSQ-CVEARBPZSA-N 2 1 350.463 -0.763 20 30 FBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916441 845771526 /nfs/dbraw/zinc/77/15/26/845771526.db2.gz IQEKJHIYFSSSSQ-CVEARBPZSA-N 2 1 350.463 -0.763 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001226853533 845838810 /nfs/dbraw/zinc/83/88/10/845838810.db2.gz PJJUOACXILABNH-OAGGEKHMSA-N 2 1 370.519 -0.350 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001226853533 845838801 /nfs/dbraw/zinc/83/88/01/845838801.db2.gz PJJUOACXILABNH-OAGGEKHMSA-N 2 1 370.519 -0.350 20 30 FBEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)O1 ZINC001227028536 845841897 /nfs/dbraw/zinc/84/18/97/845841897.db2.gz HPZBECANLFMSPX-KBUPBQIOSA-N 2 1 351.451 -0.638 20 30 FBEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)O1 ZINC001227028536 845841890 /nfs/dbraw/zinc/84/18/90/845841890.db2.gz HPZBECANLFMSPX-KBUPBQIOSA-N 2 1 351.451 -0.638 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028815 845842073 /nfs/dbraw/zinc/84/20/73/845842073.db2.gz OFDLAIGYBAHXNB-KLHDSHLOSA-N 2 1 350.463 -0.528 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028815 845842064 /nfs/dbraw/zinc/84/20/64/845842064.db2.gz OFDLAIGYBAHXNB-KLHDSHLOSA-N 2 1 350.463 -0.528 20 30 FBEDMP C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001227954290 845865340 /nfs/dbraw/zinc/86/53/40/845865340.db2.gz ROFQJBLXSOLTAR-IIAWOOMASA-N 2 1 352.479 -0.023 20 30 FBEDMP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141398 845896955 /nfs/dbraw/zinc/89/69/55/845896955.db2.gz FUAGXCVLPHCVFD-HUUCEWRRSA-N 2 1 351.451 -0.635 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141937 845896489 /nfs/dbraw/zinc/89/64/89/845896489.db2.gz NJMXMTBTYHYGMR-HZPDHXFCSA-N 2 1 350.463 -0.525 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215259 845925913 /nfs/dbraw/zinc/92/59/13/845925913.db2.gz LFWDATGGNNWTCO-BZUAXINKSA-N 2 1 350.463 -0.527 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215259 845925903 /nfs/dbraw/zinc/92/59/03/845925903.db2.gz LFWDATGGNNWTCO-BZUAXINKSA-N 2 1 350.463 -0.527 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215260 845926269 /nfs/dbraw/zinc/92/62/69/845926269.db2.gz LFWDATGGNNWTCO-OAGGEKHMSA-N 2 1 350.463 -0.527 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215260 845926263 /nfs/dbraw/zinc/92/62/63/845926263.db2.gz LFWDATGGNNWTCO-OAGGEKHMSA-N 2 1 350.463 -0.527 20 30 FBEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001230215347 845926338 /nfs/dbraw/zinc/92/63/38/845926338.db2.gz NGTACQWVUAVMTP-KFWWJZLASA-N 2 1 351.451 -0.636 20 30 FBEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001230215347 845926335 /nfs/dbraw/zinc/92/63/35/845926335.db2.gz NGTACQWVUAVMTP-KFWWJZLASA-N 2 1 351.451 -0.636 20 30 FBEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001230215349 845926077 /nfs/dbraw/zinc/92/60/77/845926077.db2.gz NGTACQWVUAVMTP-RBSFLKMASA-N 2 1 351.451 -0.636 20 30 FBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001230215349 845926073 /nfs/dbraw/zinc/92/60/73/845926073.db2.gz NGTACQWVUAVMTP-RBSFLKMASA-N 2 1 351.451 -0.636 20 30 FBEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251839005 846164284 /nfs/dbraw/zinc/16/42/84/846164284.db2.gz BHCILBISJAXUGA-BRWVUGGUSA-N 2 1 353.463 -0.892 20 30 FBEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251839005 846164279 /nfs/dbraw/zinc/16/42/79/846164279.db2.gz BHCILBISJAXUGA-BRWVUGGUSA-N 2 1 353.463 -0.892 20 30 FBEDMP C#CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251839005 846164276 /nfs/dbraw/zinc/16/42/76/846164276.db2.gz BHCILBISJAXUGA-BRWVUGGUSA-N 2 1 353.463 -0.892 20 30 FBEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251839007 846164340 /nfs/dbraw/zinc/16/43/40/846164340.db2.gz BHCILBISJAXUGA-IXDOHACOSA-N 2 1 353.463 -0.892 20 30 FBEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251839007 846164338 /nfs/dbraw/zinc/16/43/38/846164338.db2.gz BHCILBISJAXUGA-IXDOHACOSA-N 2 1 353.463 -0.892 20 30 FBEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251839007 846164336 /nfs/dbraw/zinc/16/43/36/846164336.db2.gz BHCILBISJAXUGA-IXDOHACOSA-N 2 1 353.463 -0.892 20 30 FBEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252464472 846190119 /nfs/dbraw/zinc/19/01/19/846190119.db2.gz ZKRUOKRYINKLJU-BRWVUGGUSA-N 2 1 355.479 -0.339 20 30 FBEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252464472 846190116 /nfs/dbraw/zinc/19/01/16/846190116.db2.gz ZKRUOKRYINKLJU-BRWVUGGUSA-N 2 1 355.479 -0.339 20 30 FBEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252464472 846190111 /nfs/dbraw/zinc/19/01/11/846190111.db2.gz ZKRUOKRYINKLJU-BRWVUGGUSA-N 2 1 355.479 -0.339 20 30 FBEDMP C=CCOC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252464473 846190296 /nfs/dbraw/zinc/19/02/96/846190296.db2.gz ZKRUOKRYINKLJU-IXDOHACOSA-N 2 1 355.479 -0.339 20 30 FBEDMP C=CCOC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252464473 846190293 /nfs/dbraw/zinc/19/02/93/846190293.db2.gz ZKRUOKRYINKLJU-IXDOHACOSA-N 2 1 355.479 -0.339 20 30 FBEDMP C=CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252464473 846190288 /nfs/dbraw/zinc/19/02/88/846190288.db2.gz ZKRUOKRYINKLJU-IXDOHACOSA-N 2 1 355.479 -0.339 20 30 FBEDMP C#CCN(C(=O)C(=O)NCC[N@H+](C)CCCOC)C1CC[NH+](C)CC1 ZINC001262262165 846693947 /nfs/dbraw/zinc/69/39/47/846693947.db2.gz IPNDMLZHEVKMNI-UHFFFAOYSA-N 2 1 352.479 -0.373 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001264523877 846824366 /nfs/dbraw/zinc/82/43/66/846824366.db2.gz CFGUBANVHQLPAC-BZUAXINKSA-N 2 1 352.479 -0.164 20 30 FBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001264523878 846824401 /nfs/dbraw/zinc/82/44/01/846824401.db2.gz CFGUBANVHQLPAC-OWCLPIDISA-N 2 1 352.479 -0.164 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001264524163 846824493 /nfs/dbraw/zinc/82/44/93/846824493.db2.gz MUKRXNGOFDVQEE-BZUAXINKSA-N 2 1 350.463 -0.717 20 30 FBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001264524164 846824270 /nfs/dbraw/zinc/82/42/70/846824270.db2.gz MUKRXNGOFDVQEE-OWCLPIDISA-N 2 1 350.463 -0.717 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275836107 841967461 /nfs/dbraw/zinc/96/74/61/841967461.db2.gz RLMPIIAYCUNVEK-BFHYXJOUSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275836107 841967450 /nfs/dbraw/zinc/96/74/50/841967450.db2.gz RLMPIIAYCUNVEK-BFHYXJOUSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275836107 841967441 /nfs/dbraw/zinc/96/74/41/841967441.db2.gz RLMPIIAYCUNVEK-BFHYXJOUSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275836107 841967426 /nfs/dbraw/zinc/96/74/26/841967426.db2.gz RLMPIIAYCUNVEK-BFHYXJOUSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275836108 841968032 /nfs/dbraw/zinc/96/80/32/841968032.db2.gz RLMPIIAYCUNVEK-MGPQQGTHSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275836108 841968023 /nfs/dbraw/zinc/96/80/23/841968023.db2.gz RLMPIIAYCUNVEK-MGPQQGTHSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275836108 841968016 /nfs/dbraw/zinc/96/80/16/841968016.db2.gz RLMPIIAYCUNVEK-MGPQQGTHSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275836108 841968010 /nfs/dbraw/zinc/96/80/10/841968010.db2.gz RLMPIIAYCUNVEK-MGPQQGTHSA-N 2 1 353.467 -0.225 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001277060402 845806453 /nfs/dbraw/zinc/80/64/53/845806453.db2.gz OWMDLQDGIGNEBT-CHWSQXEVSA-N 2 1 351.451 -0.423 20 30 FBEDMP C#CCOC[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277712467 845979066 /nfs/dbraw/zinc/97/90/66/845979066.db2.gz PXWGMUUAFDWSQK-AEFFLSMTSA-N 2 1 353.463 -0.890 20 30 FBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277712472 845979219 /nfs/dbraw/zinc/97/92/19/845979219.db2.gz PXWGMUUAFDWSQK-FUHWJXTLSA-N 2 1 353.463 -0.890 20 30 FBEDMP C#CCOC[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277712473 845979162 /nfs/dbraw/zinc/97/91/62/845979162.db2.gz PXWGMUUAFDWSQK-SJLPKXTDSA-N 2 1 353.463 -0.890 20 30 FBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277712474 845979231 /nfs/dbraw/zinc/97/92/31/845979231.db2.gz PXWGMUUAFDWSQK-WMZOPIPTSA-N 2 1 353.463 -0.890 20 30 FBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277713829 845980066 /nfs/dbraw/zinc/98/00/66/845980066.db2.gz XKRXZQNKUCQRJE-CRAIPNDOSA-N 2 1 351.447 -0.600 20 30 FBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277713830 845980183 /nfs/dbraw/zinc/98/01/83/845980183.db2.gz XKRXZQNKUCQRJE-MAUKXSAKSA-N 2 1 351.447 -0.600 20 30 FBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277713831 845980373 /nfs/dbraw/zinc/98/03/73/845980373.db2.gz XKRXZQNKUCQRJE-QAPCUYQASA-N 2 1 351.447 -0.600 20 30 FBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277713832 845980016 /nfs/dbraw/zinc/98/00/16/845980016.db2.gz XKRXZQNKUCQRJE-YJBOKZPZSA-N 2 1 351.447 -0.600 20 30 FBEDMP C=CCOC[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277774009 845993061 /nfs/dbraw/zinc/99/30/61/845993061.db2.gz DTPJUQGIMGDEPN-AEFFLSMTSA-N 2 1 355.479 -0.338 20 30 FBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277774011 845992302 /nfs/dbraw/zinc/99/23/02/845992302.db2.gz DTPJUQGIMGDEPN-FUHWJXTLSA-N 2 1 355.479 -0.338 20 30 FBEDMP C=CCOC[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277774014 845992293 /nfs/dbraw/zinc/99/22/93/845992293.db2.gz DTPJUQGIMGDEPN-SJLPKXTDSA-N 2 1 355.479 -0.338 20 30 FBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277774017 845994200 /nfs/dbraw/zinc/99/42/00/845994200.db2.gz DTPJUQGIMGDEPN-WMZOPIPTSA-N 2 1 355.479 -0.338 20 30 FBEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277774896 845994288 /nfs/dbraw/zinc/99/42/88/845994288.db2.gz KIESKKAJLYGUNY-CRAIPNDOSA-N 2 1 353.463 -0.047 20 30 FBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277774898 845993979 /nfs/dbraw/zinc/99/39/79/845993979.db2.gz KIESKKAJLYGUNY-MAUKXSAKSA-N 2 1 353.463 -0.047 20 30 FBEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277774900 845994014 /nfs/dbraw/zinc/99/40/14/845994014.db2.gz KIESKKAJLYGUNY-QAPCUYQASA-N 2 1 353.463 -0.047 20 30 FBEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277774902 845993901 /nfs/dbraw/zinc/99/39/01/845993901.db2.gz KIESKKAJLYGUNY-YJBOKZPZSA-N 2 1 353.463 -0.047 20 30 FBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001278860423 846305451 /nfs/dbraw/zinc/30/54/51/846305451.db2.gz WMNQWXHVYLARRY-HRCADAONSA-N 2 1 352.479 -0.783 20 30 FBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001278860423 846305439 /nfs/dbraw/zinc/30/54/39/846305439.db2.gz WMNQWXHVYLARRY-HRCADAONSA-N 2 1 352.479 -0.783 20 30 FBEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001278860423 846305427 /nfs/dbraw/zinc/30/54/27/846305427.db2.gz WMNQWXHVYLARRY-HRCADAONSA-N 2 1 352.479 -0.783 20 30 FBEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001278860423 846305417 /nfs/dbraw/zinc/30/54/17/846305417.db2.gz WMNQWXHVYLARRY-HRCADAONSA-N 2 1 352.479 -0.783 20 30 FBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001278860424 846304925 /nfs/dbraw/zinc/30/49/25/846304925.db2.gz WMNQWXHVYLARRY-OWCLPIDISA-N 2 1 352.479 -0.783 20 30 FBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001278860424 846304921 /nfs/dbraw/zinc/30/49/21/846304921.db2.gz WMNQWXHVYLARRY-OWCLPIDISA-N 2 1 352.479 -0.783 20 30 FBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001278860424 846304910 /nfs/dbraw/zinc/30/49/10/846304910.db2.gz WMNQWXHVYLARRY-OWCLPIDISA-N 2 1 352.479 -0.783 20 30 FBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001278860424 846304900 /nfs/dbraw/zinc/30/49/00/846304900.db2.gz WMNQWXHVYLARRY-OWCLPIDISA-N 2 1 352.479 -0.783 20 30 FBEDMP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001281239984 847043078 /nfs/dbraw/zinc/04/30/78/847043078.db2.gz TXHWGVCXKVSNHR-HUUCEWRRSA-N 2 1 352.479 -0.116 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281710304 847141877 /nfs/dbraw/zinc/14/18/77/847141877.db2.gz JPEGUFNAPNWTNT-OWCLPIDISA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281710304 847141873 /nfs/dbraw/zinc/14/18/73/847141873.db2.gz JPEGUFNAPNWTNT-OWCLPIDISA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001281893063 847252208 /nfs/dbraw/zinc/25/22/08/847252208.db2.gz XRNFWDHTZIFSIT-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001281893063 847252197 /nfs/dbraw/zinc/25/21/97/847252197.db2.gz XRNFWDHTZIFSIT-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001316660989 848046718 /nfs/dbraw/zinc/04/67/18/848046718.db2.gz DHYBCXOBSRZZDQ-JKSUJKDBSA-N 2 1 350.463 -0.667 20 30 FBEDMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC#CCOC ZINC001316683154 848105540 /nfs/dbraw/zinc/10/55/40/848105540.db2.gz JTXDJRCZVAVTIT-BRWVUGGUSA-N 2 1 353.463 -0.580 20 30 FBEDMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC#CCOC ZINC001316683154 848105534 /nfs/dbraw/zinc/10/55/34/848105534.db2.gz JTXDJRCZVAVTIT-BRWVUGGUSA-N 2 1 353.463 -0.580 20 30 FBEDMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC#CCOC ZINC001316683155 848106015 /nfs/dbraw/zinc/10/60/15/848106015.db2.gz JTXDJRCZVAVTIT-ZACQAIPSSA-N 2 1 353.463 -0.580 20 30 FBEDMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC#CCOC ZINC001316683155 848106011 /nfs/dbraw/zinc/10/60/11/848106011.db2.gz JTXDJRCZVAVTIT-ZACQAIPSSA-N 2 1 353.463 -0.580 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001316737713 848310295 /nfs/dbraw/zinc/31/02/95/848310295.db2.gz WIFMCVSQLNTGDN-UONOGXRCSA-N 2 1 353.467 -0.081 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001316737713 848310288 /nfs/dbraw/zinc/31/02/88/848310288.db2.gz WIFMCVSQLNTGDN-UONOGXRCSA-N 2 1 353.467 -0.081 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317108475 848330242 /nfs/dbraw/zinc/33/02/42/848330242.db2.gz GHSLHOKESUWYAG-YIYPIFLZSA-N 2 1 351.451 -0.425 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001317445993 848334451 /nfs/dbraw/zinc/33/44/51/848334451.db2.gz QEGKQDJSNSSNIC-UONOGXRCSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001317445993 848334441 /nfs/dbraw/zinc/33/44/41/848334441.db2.gz QEGKQDJSNSSNIC-UONOGXRCSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001317445993 848334429 /nfs/dbraw/zinc/33/44/29/848334429.db2.gz QEGKQDJSNSSNIC-UONOGXRCSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001317445993 848334416 /nfs/dbraw/zinc/33/44/16/848334416.db2.gz QEGKQDJSNSSNIC-UONOGXRCSA-N 2 1 353.467 -0.224 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319190538 848437022 /nfs/dbraw/zinc/43/70/22/848437022.db2.gz VAMIFEUKSVIHLJ-BFHYXJOUSA-N 2 1 353.467 -0.320 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319190540 848436889 /nfs/dbraw/zinc/43/68/89/848436889.db2.gz VAMIFEUKSVIHLJ-MGPQQGTHSA-N 2 1 353.467 -0.320 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001321848301 848687058 /nfs/dbraw/zinc/68/70/58/848687058.db2.gz FJPUMSXHHFZIFQ-MELADBBJSA-N 2 1 353.467 -0.177 20 30 FBEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCOCC2)CC[N@H+]1C ZINC001325002088 849096300 /nfs/dbraw/zinc/09/63/00/849096300.db2.gz IEGPZNRIUPUDBK-ZIAGYGMSSA-N 2 1 351.451 -0.779 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001325098656 849107909 /nfs/dbraw/zinc/10/79/09/849107909.db2.gz SXJLDJWRELYOGN-DAYGRLMNSA-N 2 1 350.463 -0.981 20 30 FBEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001325098656 849107905 /nfs/dbraw/zinc/10/79/05/849107905.db2.gz SXJLDJWRELYOGN-DAYGRLMNSA-N 2 1 350.463 -0.981 20 30 FBEDMP C#CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001325098656 849107900 /nfs/dbraw/zinc/10/79/00/849107900.db2.gz SXJLDJWRELYOGN-DAYGRLMNSA-N 2 1 350.463 -0.981 20 30 FBEDMP C#CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001325098656 849107897 /nfs/dbraw/zinc/10/78/97/849107897.db2.gz SXJLDJWRELYOGN-DAYGRLMNSA-N 2 1 350.463 -0.981 20 30 FBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001325098657 849108418 /nfs/dbraw/zinc/10/84/18/849108418.db2.gz SXJLDJWRELYOGN-HDMKZQKVSA-N 2 1 350.463 -0.981 20 30 FBEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001325098657 849108414 /nfs/dbraw/zinc/10/84/14/849108414.db2.gz SXJLDJWRELYOGN-HDMKZQKVSA-N 2 1 350.463 -0.981 20 30 FBEDMP C#CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001325098657 849108411 /nfs/dbraw/zinc/10/84/11/849108411.db2.gz SXJLDJWRELYOGN-HDMKZQKVSA-N 2 1 350.463 -0.981 20 30 FBEDMP C#CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001325098657 849108408 /nfs/dbraw/zinc/10/84/08/849108408.db2.gz SXJLDJWRELYOGN-HDMKZQKVSA-N 2 1 350.463 -0.981 20 30 FBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001328344219 849565721 /nfs/dbraw/zinc/56/57/21/849565721.db2.gz XTVGGPSTRLLXNB-BFHYXJOUSA-N 2 1 353.467 -0.177 20 30 FBEDMP C#CCSCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335222470 850603845 /nfs/dbraw/zinc/60/38/45/850603845.db2.gz NESGPLLWNBWUKN-IYBDPMFKSA-N 2 1 364.515 -0.104 20 30 FBEDMP C#CCSCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335222470 850603840 /nfs/dbraw/zinc/60/38/40/850603840.db2.gz NESGPLLWNBWUKN-IYBDPMFKSA-N 2 1 364.515 -0.104 20 30 FBEDMP C=CCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335740646 850674058 /nfs/dbraw/zinc/67/40/58/850674058.db2.gz XBPOWPGJIKYSIQ-IYBDPMFKSA-N 2 1 350.463 -0.268 20 30 FBEDMP C=CCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335740646 850674051 /nfs/dbraw/zinc/67/40/51/850674051.db2.gz XBPOWPGJIKYSIQ-IYBDPMFKSA-N 2 1 350.463 -0.268 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001341663704 851136597 /nfs/dbraw/zinc/13/65/97/851136597.db2.gz GFTRJUGZGWSGFR-OWCLPIDISA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001341663704 851136593 /nfs/dbraw/zinc/13/65/93/851136593.db2.gz GFTRJUGZGWSGFR-OWCLPIDISA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001341663704 851136584 /nfs/dbraw/zinc/13/65/84/851136584.db2.gz GFTRJUGZGWSGFR-OWCLPIDISA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001341663704 851136579 /nfs/dbraw/zinc/13/65/79/851136579.db2.gz GFTRJUGZGWSGFR-OWCLPIDISA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001343453261 851378688 /nfs/dbraw/zinc/37/86/88/851378688.db2.gz QGEYULULDXJPCY-PMPSAXMXSA-N 2 1 350.463 -0.888 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001343453261 851378682 /nfs/dbraw/zinc/37/86/82/851378682.db2.gz QGEYULULDXJPCY-PMPSAXMXSA-N 2 1 350.463 -0.888 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001343453261 851378674 /nfs/dbraw/zinc/37/86/74/851378674.db2.gz QGEYULULDXJPCY-PMPSAXMXSA-N 2 1 350.463 -0.888 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001343453261 851378665 /nfs/dbraw/zinc/37/86/65/851378665.db2.gz QGEYULULDXJPCY-PMPSAXMXSA-N 2 1 350.463 -0.888 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001343605044 851406211 /nfs/dbraw/zinc/40/62/11/851406211.db2.gz GFTRJUGZGWSGFR-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001343605044 851406199 /nfs/dbraw/zinc/40/61/99/851406199.db2.gz GFTRJUGZGWSGFR-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001343605044 851406193 /nfs/dbraw/zinc/40/61/93/851406193.db2.gz GFTRJUGZGWSGFR-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001343605044 851406182 /nfs/dbraw/zinc/40/61/82/851406182.db2.gz GFTRJUGZGWSGFR-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001343724346 851426490 /nfs/dbraw/zinc/42/64/90/851426490.db2.gz ATSVTJJOXJLHDQ-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001343724346 851426486 /nfs/dbraw/zinc/42/64/86/851426486.db2.gz ATSVTJJOXJLHDQ-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001343724346 851426475 /nfs/dbraw/zinc/42/64/75/851426475.db2.gz ATSVTJJOXJLHDQ-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001343724346 851426465 /nfs/dbraw/zinc/42/64/65/851426465.db2.gz ATSVTJJOXJLHDQ-PMPSAXMXSA-N 2 1 350.463 -0.886 20 30 FBEDMP