smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NCCN1CCOCC1)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160763 657508445 /nfs/dbraw/zinc/50/84/45/657508445.db2.gz GCAIFVRHGVXMIT-QGZVFWFLSA-N 2 0 354.543 -0.244 20 30 FBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160768 657508013 /nfs/dbraw/zinc/50/80/13/657508013.db2.gz GCAIFVRHGVXMIT-KRWDZBQOSA-N 2 0 354.543 -0.244 20 30 FBEDRP CC(C)NC(=[NH2+])NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000104170873 661624393 /nfs/dbraw/zinc/62/43/93/661624393.db2.gz ZVUWIWLUPSJXFI-UHFFFAOYSA-N 2 0 354.480 -0.154 20 30 FBEDRP CCN1CC[NH+](C[C@@H](C)CNC(NCCN2CCOCC2)=[NH+]C)CC1 ZINC000104174727 661624352 /nfs/dbraw/zinc/62/43/52/661624352.db2.gz XCCFSXFPHHPNMG-KRWDZBQOSA-N 2 0 354.543 -0.243 20 30 FBEDRP CCN1CC[NH+](C[C@H](C)CNC(NCCN2CCOCC2)=[NH+]C)CC1 ZINC000104174730 661624405 /nfs/dbraw/zinc/62/44/05/661624405.db2.gz XCCFSXFPHHPNMG-QGZVFWFLSA-N 2 0 354.543 -0.243 20 30 FBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccnc1 ZINC000157379505 660103961 /nfs/dbraw/zinc/10/39/61/660103961.db2.gz UIJGJMNJCCWIJD-CYBMUJFWSA-N 2 0 354.480 -0.252 20 30 FBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccnc1 ZINC000157379663 657751497 /nfs/dbraw/zinc/75/14/97/657751497.db2.gz UIJGJMNJCCWIJD-ZDUSSCGKSA-N 2 0 354.480 -0.252 20 30 FBEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158625910 661734685 /nfs/dbraw/zinc/73/46/85/661734685.db2.gz YNRRBGBLZORMSR-UHFFFAOYSA-N 2 0 359.540 -0.292 20 30 FBEDRP [NH2+]=C(NCc1cccc(CNC(=[NH2+])N2CCOCC2)c1)N1CCOCC1 ZINC000164312940 484328408 /nfs/dbraw/zinc/32/84/08/484328408.db2.gz CVHDOWLUEBTPDF-UHFFFAOYSA-N 2 0 360.462 -0.020 20 30 FBEDRP [NH2+]=C(NCc1ccc(CNC(=[NH2+])N2CCOCC2)cc1)N1CCOCC1 ZINC000164314032 484327558 /nfs/dbraw/zinc/32/75/58/484327558.db2.gz VRJVAPOBTJZMQD-UHFFFAOYSA-N 2 0 360.462 -0.020 20 30 FBEDRP Cn1c(N(CCC[NH+](C)C)CCC[NH+](C)C)c(C#N)c(=O)n(C)c1=O ZINC000176820383 483561112 /nfs/dbraw/zinc/56/11/12/483561112.db2.gz KEZJWLVPLKCQKO-UHFFFAOYSA-N 2 0 350.467 -0.335 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000179039939 483451480 /nfs/dbraw/zinc/45/14/80/483451480.db2.gz MGOPWAWBACBNRU-HZPDHXFCSA-N 2 0 358.494 -0.390 20 30 FBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000179039952 483450896 /nfs/dbraw/zinc/45/08/96/483450896.db2.gz MGOPWAWBACBNRU-CVEARBPZSA-N 2 0 358.494 -0.390 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCCN(c2ncccn2)C1 ZINC000179039963 483450727 /nfs/dbraw/zinc/45/07/27/483450727.db2.gz MGOPWAWBACBNRU-JKSUJKDBSA-N 2 0 358.494 -0.390 20 30 FBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@H]1CCCN(c2ncccn2)C1 ZINC000179039979 483450708 /nfs/dbraw/zinc/45/07/08/483450708.db2.gz MGOPWAWBACBNRU-HOTGVXAUSA-N 2 0 358.494 -0.390 20 30 FBEDRP Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)CC2)o1 ZINC000193633921 243258526 /nfs/dbraw/zinc/25/85/26/243258526.db2.gz ZLWAVVOEBQRABZ-GASCZTMLSA-N 2 0 358.446 -0.003 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261627747 658907567 /nfs/dbraw/zinc/90/75/67/658907567.db2.gz BZHMOWZMVWIBTD-DLBZAZTESA-N 2 0 350.511 -0.784 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261627751 658907791 /nfs/dbraw/zinc/90/77/91/658907791.db2.gz BZHMOWZMVWIBTD-IAGOWNOFSA-N 2 0 350.511 -0.784 20 30 FBEDRP C[NH+]=C(NC[C@@H](C)[NH+](C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261690084 484283784 /nfs/dbraw/zinc/28/37/84/484283784.db2.gz DZOIOYQCRKMWCY-CYBMUJFWSA-N 2 0 372.495 -0.353 20 30 FBEDRP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261690090 484283838 /nfs/dbraw/zinc/28/38/38/484283838.db2.gz DZOIOYQCRKMWCY-ZDUSSCGKSA-N 2 0 372.495 -0.353 20 30 FBEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261790564 658940941 /nfs/dbraw/zinc/94/09/41/658940941.db2.gz QGCDJXVZPZWELQ-KRWDZBQOSA-N 2 0 350.467 -0.032 20 30 FBEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261790565 658940829 /nfs/dbraw/zinc/94/08/29/658940829.db2.gz QGCDJXVZPZWELQ-QGZVFWFLSA-N 2 0 350.467 -0.032 20 30 FBEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261842450 484285651 /nfs/dbraw/zinc/28/56/51/484285651.db2.gz WKEWAAIUYQPVPV-HNNXBMFYSA-N 2 0 374.493 -0.966 20 30 FBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261842453 484284757 /nfs/dbraw/zinc/28/47/57/484284757.db2.gz WKEWAAIUYQPVPV-OAHLLOKOSA-N 2 0 374.493 -0.966 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261843554 484936241 /nfs/dbraw/zinc/93/62/41/484936241.db2.gz LSOKSSLBKZMVTP-KKUMJFAQSA-N 2 0 365.478 -0.033 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261843555 484936284 /nfs/dbraw/zinc/93/62/84/484936284.db2.gz LSOKSSLBKZMVTP-RRFJBIMHSA-N 2 0 365.478 -0.033 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261843556 484935838 /nfs/dbraw/zinc/93/58/38/484935838.db2.gz LSOKSSLBKZMVTP-SOUVJXGZSA-N 2 0 365.478 -0.033 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261843557 484936144 /nfs/dbraw/zinc/93/61/44/484936144.db2.gz LSOKSSLBKZMVTP-ZNMIVQPWSA-N 2 0 365.478 -0.033 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000261905796 658961092 /nfs/dbraw/zinc/96/10/92/658961092.db2.gz XHBGUSXGGCEAFS-ARFHVFGLSA-N 2 0 350.511 -0.202 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000261905799 658961190 /nfs/dbraw/zinc/96/11/90/658961190.db2.gz XHBGUSXGGCEAFS-BZUAXINKSA-N 2 0 350.511 -0.202 20 30 FBEDRP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261938909 657438049 /nfs/dbraw/zinc/43/80/49/657438049.db2.gz DCFJTMTZVVZBAL-KCQAQPDRSA-N 2 0 357.524 -0.084 20 30 FBEDRP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261938910 658972305 /nfs/dbraw/zinc/97/23/05/658972305.db2.gz DCFJTMTZVVZBAL-VNHYZAJKSA-N 2 0 357.524 -0.084 20 30 FBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261944875 658973029 /nfs/dbraw/zinc/97/30/29/658973029.db2.gz NEQFUDCZUDILKG-HNNXBMFYSA-N 2 0 350.511 -0.107 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261944877 658973089 /nfs/dbraw/zinc/97/30/89/658973089.db2.gz NEQFUDCZUDILKG-OAHLLOKOSA-N 2 0 350.511 -0.107 20 30 FBEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261945802 658973862 /nfs/dbraw/zinc/97/38/62/658973862.db2.gz FUKRSKJFOOWMRO-AWEZNQCLSA-N 2 0 359.540 -0.293 20 30 FBEDRP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261945805 657443280 /nfs/dbraw/zinc/44/32/80/657443280.db2.gz FUKRSKJFOOWMRO-CQSZACIVSA-N 2 0 359.540 -0.293 20 30 FBEDRP CC[NH+]1CCN(CCNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000261988155 658976733 /nfs/dbraw/zinc/97/67/33/658976733.db2.gz QPYHXSISCDZGCW-UHFFFAOYSA-N 2 0 359.540 -0.292 20 30 FBEDRP CN(C(=[NH2+])NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000262237735 659034468 /nfs/dbraw/zinc/03/44/68/659034468.db2.gz NJOXRZXIUSFDBZ-UHFFFAOYSA-N 2 0 366.491 -0.058 20 30 FBEDRP CN(C)C(=O)CN/C(=[NH+]/CC(=O)N(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262305570 659072557 /nfs/dbraw/zinc/07/25/57/659072557.db2.gz OOEHPBOUMLNZOO-AWEZNQCLSA-N 2 0 350.467 -0.946 20 30 FBEDRP CN(C)C(=O)CN/C(=[NH+]/CC(=O)N(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262305574 659072745 /nfs/dbraw/zinc/07/27/45/659072745.db2.gz OOEHPBOUMLNZOO-CQSZACIVSA-N 2 0 350.467 -0.946 20 30 FBEDRP C=CC[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000262318773 484293534 /nfs/dbraw/zinc/29/35/34/484293534.db2.gz RHFIXFUKBMBONQ-HNNXBMFYSA-N 2 0 364.494 -0.555 20 30 FBEDRP C=CC[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000262318774 484294660 /nfs/dbraw/zinc/29/46/60/484294660.db2.gz RHFIXFUKBMBONQ-OAHLLOKOSA-N 2 0 364.494 -0.555 20 30 FBEDRP CN(C)C(=O)CNC(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]C1CCCCC1 ZINC000262337106 657699032 /nfs/dbraw/zinc/69/90/32/657699032.db2.gz WKMMNNUQKDUYCW-INIZCTEOSA-N 2 0 350.511 -0.058 20 30 FBEDRP CN(C)C(=O)CNC(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]C1CCCCC1 ZINC000262337109 657699212 /nfs/dbraw/zinc/69/92/12/657699212.db2.gz WKMMNNUQKDUYCW-MRXNPFEDSA-N 2 0 350.511 -0.058 20 30 FBEDRP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262423607 659867564 /nfs/dbraw/zinc/86/75/64/659867564.db2.gz RGSGCNRUKNYFNX-GJZGRUSLSA-N 2 0 357.524 -0.636 20 30 FBEDRP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262423611 659867621 /nfs/dbraw/zinc/86/76/21/659867621.db2.gz RGSGCNRUKNYFNX-LSDHHAIUSA-N 2 0 357.524 -0.636 20 30 FBEDRP O=S1(=O)CC[C@H](CNC(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C2CC2)C1 ZINC000262436842 659868971 /nfs/dbraw/zinc/86/89/71/659868971.db2.gz TYZKOKWLOWGSBH-HIFRSBDPSA-N 2 0 355.508 -0.882 20 30 FBEDRP O=S1(=O)CC[C@H](CNC(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C2CC2)C1 ZINC000262436847 659869088 /nfs/dbraw/zinc/86/90/88/659869088.db2.gz TYZKOKWLOWGSBH-UKRRQHHQSA-N 2 0 355.508 -0.882 20 30 FBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262761974 484300684 /nfs/dbraw/zinc/30/06/84/484300684.db2.gz GECCNYLZQMNENQ-HNNXBMFYSA-N 2 0 362.478 -0.141 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262761977 484301240 /nfs/dbraw/zinc/30/12/40/484301240.db2.gz GECCNYLZQMNENQ-OAHLLOKOSA-N 2 0 362.478 -0.141 20 30 FBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000262784695 484300864 /nfs/dbraw/zinc/30/08/64/484300864.db2.gz LZFAGFRRQOZBHU-HNNXBMFYSA-N 2 0 360.462 -0.387 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000262784697 484300373 /nfs/dbraw/zinc/30/03/73/484300373.db2.gz LZFAGFRRQOZBHU-OAHLLOKOSA-N 2 0 360.462 -0.387 20 30 FBEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(C(=O)C(C)C)CC1 ZINC000262807911 659905485 /nfs/dbraw/zinc/90/54/85/659905485.db2.gz UFLWJLXAWUPMOQ-INIZCTEOSA-N 2 0 350.511 -0.248 20 30 FBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(C(=O)C(C)C)CC1 ZINC000262807914 659905429 /nfs/dbraw/zinc/90/54/29/659905429.db2.gz UFLWJLXAWUPMOQ-MRXNPFEDSA-N 2 0 350.511 -0.248 20 30 FBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NCC1(C(=O)N(C)C)CCCC1 ZINC000262814685 659905958 /nfs/dbraw/zinc/90/59/58/659905958.db2.gz WIBRYTAEWCMFHV-HNNXBMFYSA-N 2 0 350.511 -0.200 20 30 FBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NCC1(C(=O)N(C)C)CCCC1 ZINC000262814686 659906139 /nfs/dbraw/zinc/90/61/39/659906139.db2.gz WIBRYTAEWCMFHV-OAHLLOKOSA-N 2 0 350.511 -0.200 20 30 FBEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(c2ncccn2)CC1 ZINC000262825338 484300985 /nfs/dbraw/zinc/30/09/85/484300985.db2.gz ZPLZSQKLCWXYDE-INIZCTEOSA-N 2 0 358.494 -0.436 20 30 FBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(c2ncccn2)CC1 ZINC000262825339 484301179 /nfs/dbraw/zinc/30/11/79/484301179.db2.gz ZPLZSQKLCWXYDE-MRXNPFEDSA-N 2 0 358.494 -0.436 20 30 FBEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264115400 484314903 /nfs/dbraw/zinc/31/49/03/484314903.db2.gz SIICEDZRTVZYRW-UHFFFAOYSA-N 2 0 360.510 -0.059 20 30 FBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000264149541 484315255 /nfs/dbraw/zinc/31/52/55/484315255.db2.gz YVFDHVMCHRGDJY-HNNXBMFYSA-N 2 0 360.462 -0.210 20 30 FBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000264149545 484315636 /nfs/dbraw/zinc/31/56/36/484315636.db2.gz YVFDHVMCHRGDJY-OAHLLOKOSA-N 2 0 360.462 -0.210 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000264251615 484962143 /nfs/dbraw/zinc/96/21/43/484962143.db2.gz XMZYDXGREDPZRL-ZDUSSCGKSA-N 2 0 353.467 -0.224 20 30 FBEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000267336397 484447787 /nfs/dbraw/zinc/44/77/87/484447787.db2.gz PJCIRXYZNHTQFJ-UHFFFAOYSA-N 2 0 360.510 -0.061 20 30 FBEDRP C[N@@H+]1CCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1(C)C ZINC000281892816 483687107 /nfs/dbraw/zinc/68/71/07/483687107.db2.gz YKJBSCQGIDJSTQ-UHFFFAOYSA-N 2 0 360.510 -0.061 20 30 FBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000303871151 661836791 /nfs/dbraw/zinc/83/67/91/661836791.db2.gz BMYSUXYDVJSQIY-CHWSQXEVSA-N 2 0 359.496 -0.932 20 30 FBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000303871152 661836777 /nfs/dbraw/zinc/83/67/77/661836777.db2.gz BMYSUXYDVJSQIY-OLZOCXBDSA-N 2 0 359.496 -0.932 20 30 FBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000303871153 661836652 /nfs/dbraw/zinc/83/66/52/661836652.db2.gz BMYSUXYDVJSQIY-QWHCGFSZSA-N 2 0 359.496 -0.932 20 30 FBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000303871154 661836871 /nfs/dbraw/zinc/83/68/71/661836871.db2.gz BMYSUXYDVJSQIY-STQMWFEESA-N 2 0 359.496 -0.932 20 30 FBEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303885098 661836920 /nfs/dbraw/zinc/83/69/20/661836920.db2.gz MYLRZDIKBBITDP-KRWDZBQOSA-N 2 0 354.543 -0.113 20 30 FBEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303885099 661837015 /nfs/dbraw/zinc/83/70/15/661837015.db2.gz MYLRZDIKBBITDP-QGZVFWFLSA-N 2 0 354.543 -0.113 20 30 FBEDRP CCN1CC[NH+](CCCCNC(NCCN2CCOCC2)=[NH+]C)CC1 ZINC000303891349 661836857 /nfs/dbraw/zinc/83/68/57/661836857.db2.gz NBTXZEMVKFTPPR-UHFFFAOYSA-N 2 0 354.543 -0.099 20 30 FBEDRP C[NH+]=C(NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)NCCN1CCOCC1 ZINC000303986757 661838220 /nfs/dbraw/zinc/83/82/20/661838220.db2.gz UVNJJTUHNYJVLV-HNNXBMFYSA-N 2 0 354.499 -0.929 20 30 FBEDRP C[NH+]=C(NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)NCCN1CCOCC1 ZINC000303986758 661838096 /nfs/dbraw/zinc/83/80/96/661838096.db2.gz UVNJJTUHNYJVLV-OAHLLOKOSA-N 2 0 354.499 -0.929 20 30 FBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)N1CCSCC1 ZINC000304751730 661843140 /nfs/dbraw/zinc/84/31/40/661843140.db2.gz JQDDRZFLPGEUSS-CYBMUJFWSA-N 2 0 363.553 -0.246 20 30 FBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)N1CCSCC1 ZINC000304751732 661843318 /nfs/dbraw/zinc/84/33/18/661843318.db2.gz JQDDRZFLPGEUSS-ZDUSSCGKSA-N 2 0 363.553 -0.246 20 30 FBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)Cc1ccon1 ZINC000304807029 661843464 /nfs/dbraw/zinc/84/34/64/661843464.db2.gz SSLLBGGKFHSTKA-CYBMUJFWSA-N 2 0 358.468 -0.517 20 30 FBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)Cc1ccon1 ZINC000304807030 661843496 /nfs/dbraw/zinc/84/34/96/661843496.db2.gz SSLLBGGKFHSTKA-ZDUSSCGKSA-N 2 0 358.468 -0.517 20 30 FBEDRP CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3C[NH+]4CCN3CC4)=[NH+]C[C@H]2C1 ZINC000305209294 484324107 /nfs/dbraw/zinc/32/41/07/484324107.db2.gz PAYPHNAXZMYZTQ-CABCVRRESA-N 2 0 364.494 -0.133 20 30 FBEDRP CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3C[NH+]4CCN3CC4)=[NH+]C[C@@H]2C1 ZINC000305209296 484323622 /nfs/dbraw/zinc/32/36/22/484323622.db2.gz PAYPHNAXZMYZTQ-HUUCEWRRSA-N 2 0 364.494 -0.133 20 30 FBEDRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000305220620 484328302 /nfs/dbraw/zinc/32/83/02/484328302.db2.gz SZYQJUCCLMGPKQ-AWEZNQCLSA-N 2 0 352.483 -0.146 20 30 FBEDRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000305220621 484328555 /nfs/dbraw/zinc/32/85/55/484328555.db2.gz SZYQJUCCLMGPKQ-CQSZACIVSA-N 2 0 352.483 -0.146 20 30 FBEDRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000329559553 484258216 /nfs/dbraw/zinc/25/82/16/484258216.db2.gz FPWSAVMSXOGQLG-INIZCTEOSA-N 2 0 367.494 -0.139 20 30 FBEDRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000329559554 484257995 /nfs/dbraw/zinc/25/79/95/484257995.db2.gz FPWSAVMSXOGQLG-MRXNPFEDSA-N 2 0 367.494 -0.139 20 30 FBEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000329816891 484291422 /nfs/dbraw/zinc/29/14/22/484291422.db2.gz FPKUKOVYNOCJDA-CABCVRRESA-N 2 0 355.483 -0.549 20 30 FBEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000329816893 484291785 /nfs/dbraw/zinc/29/17/85/484291785.db2.gz FPKUKOVYNOCJDA-GJZGRUSLSA-N 2 0 355.483 -0.549 20 30 FBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000330125422 484312351 /nfs/dbraw/zinc/31/23/51/484312351.db2.gz LYPQVIQMFLJDPG-CVEARBPZSA-N 2 0 366.510 -0.615 20 30 FBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000330125425 484311556 /nfs/dbraw/zinc/31/15/56/484311556.db2.gz LYPQVIQMFLJDPG-HZPDHXFCSA-N 2 0 366.510 -0.615 20 30 FBEDRP CC(C)CNC(=O)NC(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330765575 483944411 /nfs/dbraw/zinc/94/44/11/483944411.db2.gz QEMOIUWCHQJEMP-UHFFFAOYSA-N 2 0 356.467 -0.168 20 30 FBEDRP C[C@H](CO)[NH+]1CCCN(CC#CCN2CCC[N@@H+]([C@@H](C)CO)CC2)CC1 ZINC000375272970 484296728 /nfs/dbraw/zinc/29/67/28/484296728.db2.gz VSXYJWBFOXVAOE-BGYRXZFFSA-N 2 0 366.550 -0.233 20 30 FBEDRP C[C@@H](CO)[NH+]1CCCN(CC#CCN2CCC[N@@H+]([C@@H](C)CO)CC2)CC1 ZINC000375272971 484297051 /nfs/dbraw/zinc/29/70/51/484297051.db2.gz VSXYJWBFOXVAOE-PMACEKPBSA-N 2 0 366.550 -0.233 20 30 FBEDRP C[C@H](CO)[NH+]1CCCN(CC#CCN2CCC[N@@H+]([C@H](C)CO)CC2)CC1 ZINC000375272972 484296308 /nfs/dbraw/zinc/29/63/08/484296308.db2.gz VSXYJWBFOXVAOE-WOJBJXKFSA-N 2 0 366.550 -0.233 20 30 FBEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409529063 483776624 /nfs/dbraw/zinc/77/66/24/483776624.db2.gz NJOJWNPYXJIYIH-HNNXBMFYSA-N 2 0 361.512 -0.339 20 30 FBEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409529065 483776531 /nfs/dbraw/zinc/77/65/31/483776531.db2.gz NJOJWNPYXJIYIH-OAHLLOKOSA-N 2 0 361.512 -0.339 20 30 FBEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409590473 483777735 /nfs/dbraw/zinc/77/77/35/483777735.db2.gz CAKILZNPNGITAF-CVEARBPZSA-N 2 0 373.523 -0.197 20 30 FBEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409590474 483777801 /nfs/dbraw/zinc/77/78/01/483777801.db2.gz CAKILZNPNGITAF-HOTGVXAUSA-N 2 0 373.523 -0.197 20 30 FBEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409590475 483777520 /nfs/dbraw/zinc/77/75/20/483777520.db2.gz CAKILZNPNGITAF-HZPDHXFCSA-N 2 0 373.523 -0.197 20 30 FBEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409590476 483778129 /nfs/dbraw/zinc/77/81/29/483778129.db2.gz CAKILZNPNGITAF-JKSUJKDBSA-N 2 0 373.523 -0.197 20 30 FBEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C(C)C ZINC000419569669 484767402 /nfs/dbraw/zinc/76/74/02/484767402.db2.gz MOWGRPVZSKUTRQ-CVEARBPZSA-N 2 0 352.479 -0.013 20 30 FBEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000419569970 484767520 /nfs/dbraw/zinc/76/75/20/484767520.db2.gz MOWGRPVZSKUTRQ-HOTGVXAUSA-N 2 0 352.479 -0.013 20 30 FBEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C(C)C ZINC000419569971 484767428 /nfs/dbraw/zinc/76/74/28/484767428.db2.gz MOWGRPVZSKUTRQ-HZPDHXFCSA-N 2 0 352.479 -0.013 20 30 FBEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000419569972 484768113 /nfs/dbraw/zinc/76/81/13/484768113.db2.gz MOWGRPVZSKUTRQ-JKSUJKDBSA-N 2 0 352.479 -0.013 20 30 FBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420200093 484705346 /nfs/dbraw/zinc/70/53/46/484705346.db2.gz NXIJHPRFRHLXON-KRWDZBQOSA-N 2 0 373.457 -0.447 20 30 FBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420200096 484705850 /nfs/dbraw/zinc/70/58/50/484705850.db2.gz NXIJHPRFRHLXON-QGZVFWFLSA-N 2 0 373.457 -0.447 20 30 FBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423071305 484744743 /nfs/dbraw/zinc/74/47/43/484744743.db2.gz FGLPMXIPCIDIEG-KRWDZBQOSA-N 2 0 373.457 -0.365 20 30 FBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423071306 484745109 /nfs/dbraw/zinc/74/51/09/484745109.db2.gz FGLPMXIPCIDIEG-QGZVFWFLSA-N 2 0 373.457 -0.365 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424529549 485214686 /nfs/dbraw/zinc/21/46/86/485214686.db2.gz VAZBDIXESRPYES-DLBZAZTESA-N 2 0 374.489 -0.170 20 30 FBEDRP N#Cc1ncn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000426414504 484779711 /nfs/dbraw/zinc/77/97/11/484779711.db2.gz XAFDJEFTYXEVMT-UHFFFAOYSA-N 2 0 354.418 -0.127 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430656339 483906025 /nfs/dbraw/zinc/90/60/25/483906025.db2.gz SZDQYQFCNCBAEC-KBPBESRZSA-N 2 0 351.451 -0.470 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430656340 483906407 /nfs/dbraw/zinc/90/64/07/483906407.db2.gz SZDQYQFCNCBAEC-KGLIPLIRSA-N 2 0 351.451 -0.470 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430656342 483906200 /nfs/dbraw/zinc/90/62/00/483906200.db2.gz SZDQYQFCNCBAEC-UONOGXRCSA-N 2 0 351.451 -0.470 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430656344 483906370 /nfs/dbraw/zinc/90/63/70/483906370.db2.gz SZDQYQFCNCBAEC-ZIAGYGMSSA-N 2 0 351.451 -0.470 20 30 FBEDRP C=CCNC(=O)CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433158534 483970521 /nfs/dbraw/zinc/97/05/21/483970521.db2.gz BFMDSGZUHSATRF-UHFFFAOYSA-N 2 0 351.495 -0.364 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446717470 484043695 /nfs/dbraw/zinc/04/36/95/484043695.db2.gz CPABFSZQMBMCAM-UHFFFAOYSA-N 2 0 362.478 0.540 20 30 FBEDRP CC[C@H](CO)[NH+]1CCN(CC#CCN2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000472579445 484782007 /nfs/dbraw/zinc/78/20/07/484782007.db2.gz OQJGWKUZZKETBC-BGYRXZFFSA-N 2 0 366.550 -0.233 20 30 FBEDRP CC[C@@H](CO)[NH+]1CCN(CC#CCN2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000472579448 484781859 /nfs/dbraw/zinc/78/18/59/484781859.db2.gz OQJGWKUZZKETBC-PMACEKPBSA-N 2 0 366.550 -0.233 20 30 FBEDRP CC[C@H](CO)[NH+]1CCN(CC#CCN2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000472579449 484781726 /nfs/dbraw/zinc/78/17/26/484781726.db2.gz OQJGWKUZZKETBC-WOJBJXKFSA-N 2 0 366.550 -0.233 20 30 FBEDRP CC(C)(O)C[NH+]1CCN(CC#CCN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000472594734 484781382 /nfs/dbraw/zinc/78/13/82/484781382.db2.gz DKTHFQPQNOBBAI-UHFFFAOYSA-N 2 0 366.550 -0.233 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477702649 484910920 /nfs/dbraw/zinc/91/09/20/484910920.db2.gz NJHZVCBSJGIMTB-UHFFFAOYSA-N 2 0 352.479 -0.020 20 30 FBEDRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(CCC#N)n1 ZINC000527124139 485136130 /nfs/dbraw/zinc/13/61/30/485136130.db2.gz BGAIFZJZCMPBLO-UHFFFAOYSA-N 2 0 363.466 -0.005 20 30 FBEDRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1CCC#N ZINC000527124437 484238587 /nfs/dbraw/zinc/23/85/87/484238587.db2.gz FNMDALLEVYMUPJ-UHFFFAOYSA-N 2 0 363.466 -0.005 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529307047 484487887 /nfs/dbraw/zinc/48/78/87/484487887.db2.gz MWXIDJQAWHHVQE-UHFFFAOYSA-N 2 0 364.494 -0.011 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551480982 484938636 /nfs/dbraw/zinc/93/86/36/484938636.db2.gz YDFRPIBGUMZFEB-INIZCTEOSA-N 2 0 365.522 -0.247 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551480983 484939275 /nfs/dbraw/zinc/93/92/75/484939275.db2.gz YDFRPIBGUMZFEB-MRXNPFEDSA-N 2 0 365.522 -0.247 20 30 FBEDRP 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 484953346 /nfs/dbraw/zinc/95/33/46/484953346.db2.gz ODTVTPCQQDCDGP-JVSBHGNQSA-N 2 0 366.550 -0.236 20 30 FBEDRP 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 484953553 /nfs/dbraw/zinc/95/35/53/484953553.db2.gz ODTVTPCQQDCDGP-MUGJNUQGSA-N 2 0 366.550 -0.236 20 30 FBEDRP 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 484953392 /nfs/dbraw/zinc/95/33/92/484953392.db2.gz ODTVTPCQQDCDGP-YRPNKDGESA-N 2 0 366.550 -0.236 20 30 FBEDRP 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 484954056 /nfs/dbraw/zinc/95/40/56/484954056.db2.gz ODTVTPCQQDCDGP-ZRNYENFQSA-N 2 0 366.550 -0.236 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000552937295 485016906 /nfs/dbraw/zinc/01/69/06/485016906.db2.gz BGXJQEUDAWRYHB-INIZCTEOSA-N 2 0 352.479 -0.020 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000552937297 485017212 /nfs/dbraw/zinc/01/72/12/485017212.db2.gz BGXJQEUDAWRYHB-MRXNPFEDSA-N 2 0 352.479 -0.020 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000553371034 485044715 /nfs/dbraw/zinc/04/47/15/485044715.db2.gz XNGNZVNZILJAMK-INIZCTEOSA-N 2 0 352.479 -0.020 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000553371035 485045120 /nfs/dbraw/zinc/04/51/20/485045120.db2.gz XNGNZVNZILJAMK-MRXNPFEDSA-N 2 0 352.479 -0.020 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000553396978 485044875 /nfs/dbraw/zinc/04/48/75/485044875.db2.gz JZVNMARRUXMJOQ-INIZCTEOSA-N 2 0 351.495 -0.495 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000553396979 485045093 /nfs/dbraw/zinc/04/50/93/485045093.db2.gz JZVNMARRUXMJOQ-MRXNPFEDSA-N 2 0 351.495 -0.495 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000553672086 485060970 /nfs/dbraw/zinc/06/09/70/485060970.db2.gz KIXSDYHIJYPPST-UHFFFAOYSA-N 3 0 353.511 -0.295 20 30 FBEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)C ZINC000561252492 483898094 /nfs/dbraw/zinc/89/80/94/483898094.db2.gz QOHXGXCXKPJWMC-DLBZAZTESA-N 2 0 365.522 -0.098 20 30 FBEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000561252493 483898153 /nfs/dbraw/zinc/89/81/53/483898153.db2.gz QOHXGXCXKPJWMC-IAGOWNOFSA-N 2 0 365.522 -0.098 20 30 FBEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)C ZINC000561252494 483898285 /nfs/dbraw/zinc/89/82/85/483898285.db2.gz QOHXGXCXKPJWMC-IRXDYDNUSA-N 2 0 365.522 -0.098 20 30 FBEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000561252495 483897972 /nfs/dbraw/zinc/89/79/72/483897972.db2.gz QOHXGXCXKPJWMC-SJORKVTESA-N 2 0 365.522 -0.098 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000565321557 485178293 /nfs/dbraw/zinc/17/82/93/485178293.db2.gz OUIBEZWLRNPISM-UHFFFAOYSA-N 2 0 365.522 -0.105 20 30 FBEDRP N#CCNC(=O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000568915940 485313456 /nfs/dbraw/zinc/31/34/56/485313456.db2.gz VYRFDIIGOHEIOR-UHFFFAOYSA-N 2 0 359.434 -0.467 20 30 FBEDRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000570626323 483881406 /nfs/dbraw/zinc/88/14/06/483881406.db2.gz HKUARLFZYWTTRQ-MOPGFXCFSA-N 2 0 371.485 -0.143 20 30 FBEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000570626324 483881462 /nfs/dbraw/zinc/88/14/62/483881462.db2.gz HKUARLFZYWTTRQ-OALUTQOASA-N 2 0 371.485 -0.143 20 30 FBEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000570626325 483881581 /nfs/dbraw/zinc/88/15/81/483881581.db2.gz HKUARLFZYWTTRQ-RBUKOAKNSA-N 2 0 371.485 -0.143 20 30 FBEDRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000570626326 484217322 /nfs/dbraw/zinc/21/73/22/484217322.db2.gz HKUARLFZYWTTRQ-RTBURBONSA-N 2 0 371.485 -0.143 20 30 FBEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000574393728 483972077 /nfs/dbraw/zinc/97/20/77/483972077.db2.gz VFBLNDGSTKSSKN-KRWDZBQOSA-N 2 0 353.511 -0.421 20 30 FBEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000574393729 483972682 /nfs/dbraw/zinc/97/26/82/483972682.db2.gz VFBLNDGSTKSSKN-QGZVFWFLSA-N 2 0 353.511 -0.421 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000576763552 484076841 /nfs/dbraw/zinc/07/68/41/484076841.db2.gz VBPSCVNZOSATNR-UHFFFAOYSA-N 2 0 352.479 -0.020 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000581934523 484361695 /nfs/dbraw/zinc/36/16/95/484361695.db2.gz VRZNDHHPIPZDFW-UHFFFAOYSA-N 2 0 352.479 -0.018 20 30 FBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588126999 484338226 /nfs/dbraw/zinc/33/82/26/484338226.db2.gz YFAFELNHUOJRBK-UHFFFAOYSA-N 2 0 352.483 -0.958 20 30 FBEDRP N#Cc1ccc(NCC[N@H+]2CC[C@@H](O)C2)nc1NCC[NH+]1CC[C@@H](O)C1 ZINC000599175679 484172604 /nfs/dbraw/zinc/17/26/04/484172604.db2.gz HQZQMMGBUWHYNG-HZPDHXFCSA-N 2 0 360.462 -0.090 20 30 FBEDRP Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c(C#N)c(NCC[NH+]2CC[C@@H](O)C2)n1 ZINC000599176293 484359628 /nfs/dbraw/zinc/35/96/28/484359628.db2.gz PVRYOKDIWWIMSQ-HZPDHXFCSA-N 2 0 374.489 0.219 20 30 FBEDRP N#Cc1ccc(NCC[N@H+]2CC[C@H](O)C2)nc1NCC[NH+]1CC[C@H](O)C1 ZINC000599199232 484172025 /nfs/dbraw/zinc/17/20/25/484172025.db2.gz HQZQMMGBUWHYNG-HOTGVXAUSA-N 2 0 360.462 -0.090 20 30 FBEDRP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c(C#N)c(NCC[NH+]2CC[C@H](O)C2)n1 ZINC000599199784 484358538 /nfs/dbraw/zinc/35/85/38/484358538.db2.gz PVRYOKDIWWIMSQ-HOTGVXAUSA-N 2 0 374.489 0.219 20 30 FBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599961906 483555242 /nfs/dbraw/zinc/55/52/42/483555242.db2.gz IWKKZURIIIQGTN-KRWDZBQOSA-N 2 0 373.457 -0.447 20 30 FBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599961907 483555901 /nfs/dbraw/zinc/55/59/01/483555901.db2.gz IWKKZURIIIQGTN-QGZVFWFLSA-N 2 0 373.457 -0.447 20 30 FBEDRP C[C@@H]1CN(CC#CCN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000625459727 483708145 /nfs/dbraw/zinc/70/81/45/483708145.db2.gz OZDBOUQOZMFNCP-FGYAAKKASA-N 2 0 366.550 -0.236 20 30 FBEDRP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CC#CCN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000625471677 483708777 /nfs/dbraw/zinc/70/87/77/483708777.db2.gz HUOWLRJJOFOGGL-FGYAAKKASA-N 2 0 366.550 -0.236 20 30 FBEDRP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CC#CCN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000625471678 483708945 /nfs/dbraw/zinc/70/89/45/483708945.db2.gz HUOWLRJJOFOGGL-IYWMVGAKSA-N 2 0 366.550 -0.236 20 30 FBEDRP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CC#CCN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000625471679 483708661 /nfs/dbraw/zinc/70/86/61/483708661.db2.gz HUOWLRJJOFOGGL-UAFMIMERSA-N 2 0 366.550 -0.236 20 30 FBEDRP C[C@@H]1C[NH+](CCO)[C@H](C)CN1CC#CCN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000625471680 483708703 /nfs/dbraw/zinc/70/87/03/483708703.db2.gz HUOWLRJJOFOGGL-WTGUMLROSA-N 2 0 366.550 -0.236 20 30 FBEDRP C[NH+](C)C[C@@]1(O)CCCN(CC#CCN2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639762417 484545775 /nfs/dbraw/zinc/54/57/75/484545775.db2.gz KXQAGOJSGFLWOM-BGYRXZFFSA-N 2 0 366.550 -0.233 20 30 FBEDRP C[NH+](C)C[C@@]1(O)CCCN(CC#CCN2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639762418 484545647 /nfs/dbraw/zinc/54/56/47/484545647.db2.gz KXQAGOJSGFLWOM-PMACEKPBSA-N 2 0 366.550 -0.233 20 30 FBEDRP C[NH+](C)C[C@]1(O)CCCN(CC#CCN2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639762419 484545709 /nfs/dbraw/zinc/54/57/09/484545709.db2.gz KXQAGOJSGFLWOM-WOJBJXKFSA-N 2 0 366.550 -0.233 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652692020 483448349 /nfs/dbraw/zinc/44/83/49/483448349.db2.gz GSCXJUYJVJMWLN-GDBMZVCRSA-N 2 0 352.479 -0.035 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656310766 484634393 /nfs/dbraw/zinc/63/43/93/484634393.db2.gz FHNHGFKVOLZNCG-JKSUJKDBSA-N 2 0 350.463 -0.580 20 30 FBEDRP CC(C)(CO)[NH+]1CCN(CC#CCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000671242242 484624500 /nfs/dbraw/zinc/62/45/00/484624500.db2.gz OEFUWKVRSVRUPK-UHFFFAOYSA-N 2 0 366.550 -0.233 20 30 FBEDRP CC1(C)CN(CC#CCN2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000671243491 484649450 /nfs/dbraw/zinc/64/94/50/484649450.db2.gz AJOUQWJZDMGALN-UHFFFAOYSA-N 2 0 366.550 -0.233 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000672357428 484633722 /nfs/dbraw/zinc/63/37/22/484633722.db2.gz RUSOLGQMOCUOEU-GDBMZVCRSA-N 2 0 352.479 -0.022 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000672357429 484632877 /nfs/dbraw/zinc/63/28/77/484632877.db2.gz RUSOLGQMOCUOEU-GOEBONIOSA-N 2 0 352.479 -0.022 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000672357430 484633103 /nfs/dbraw/zinc/63/31/03/484633103.db2.gz RUSOLGQMOCUOEU-HOCLYGCPSA-N 2 0 352.479 -0.022 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000672357431 484634108 /nfs/dbraw/zinc/63/41/08/484634108.db2.gz RUSOLGQMOCUOEU-ZBFHGGJFSA-N 2 0 352.479 -0.022 20 30 FBEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000800113206 661583452 /nfs/dbraw/zinc/58/34/52/661583452.db2.gz MEQDDQBAUKETOL-HNNXBMFYSA-N 2 0 359.496 -0.587 20 30 FBEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000800113214 661583556 /nfs/dbraw/zinc/58/35/56/661583556.db2.gz MEQDDQBAUKETOL-OAHLLOKOSA-N 2 0 359.496 -0.587 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061459 660969852 /nfs/dbraw/zinc/96/98/52/660969852.db2.gz VNDAQRCTBLZZRJ-CVEARBPZSA-N 2 0 350.463 -0.268 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061460 660969971 /nfs/dbraw/zinc/96/99/71/660969971.db2.gz VNDAQRCTBLZZRJ-HOTGVXAUSA-N 2 0 350.463 -0.268 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061461 660969835 /nfs/dbraw/zinc/96/98/35/660969835.db2.gz VNDAQRCTBLZZRJ-HZPDHXFCSA-N 2 0 350.463 -0.268 20 30 FBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061462 660969746 /nfs/dbraw/zinc/96/97/46/660969746.db2.gz VNDAQRCTBLZZRJ-JKSUJKDBSA-N 2 0 350.463 -0.268 20 30 FBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000836352095 661171513 /nfs/dbraw/zinc/17/15/13/661171513.db2.gz ZQCJCCZOGNBTAA-KRWDZBQOSA-N 2 0 351.495 -0.353 20 30 FBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000836352096 661171591 /nfs/dbraw/zinc/17/15/91/661171591.db2.gz ZQCJCCZOGNBTAA-QGZVFWFLSA-N 2 0 351.495 -0.353 20 30 FBEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)C(=C)C[NH+](C)C)CCN1C ZINC000846286044 661240173 /nfs/dbraw/zinc/24/01/73/661240173.db2.gz XMDAQVBXLDYXMA-INIZCTEOSA-N 2 0 351.495 -0.519 20 30 FBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)C(=C)C[NH+](C)C)CCN1C ZINC000846286048 661240234 /nfs/dbraw/zinc/24/02/34/661240234.db2.gz XMDAQVBXLDYXMA-MRXNPFEDSA-N 2 0 351.495 -0.519 20 30 FBEDRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852794749 661308725 /nfs/dbraw/zinc/30/87/25/661308725.db2.gz SNZGZGLWEPHNNT-UHFFFAOYSA-N 2 0 350.444 -0.135 20 30 FBEDRP C=C(C[NH+](C)C)C(=O)NCCN1CCN(C(=O)C(=C)C[NH+](C)C)CC1 ZINC000854482561 661325149 /nfs/dbraw/zinc/32/51/49/661325149.db2.gz BRRJDAJDCCSDTF-UHFFFAOYSA-N 2 0 351.495 -0.518 20 30 FBEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000861634672 661395561 /nfs/dbraw/zinc/39/55/61/661395561.db2.gz PZEYHOZSSKPISA-UHFFFAOYSA-N 2 0 350.467 -0.706 20 30 FBEDRP C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867569781 661458058 /nfs/dbraw/zinc/45/80/58/661458058.db2.gz WDIUFDQXEWVOEN-HZPDHXFCSA-N 2 0 354.495 -0.155 20 30 FBEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C[NH+](C)C ZINC000867590337 661458753 /nfs/dbraw/zinc/45/87/53/661458753.db2.gz OSPBAQZHBIGSSA-KFWWJZLASA-N 2 0 359.496 -0.873 20 30 FBEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C[NH+](C)C ZINC000867590338 661459047 /nfs/dbraw/zinc/45/90/47/661459047.db2.gz OSPBAQZHBIGSSA-RBSFLKMASA-N 2 0 359.496 -0.873 20 30 FBEDRP C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875479767 661522532 /nfs/dbraw/zinc/52/25/32/661522532.db2.gz BCQBPEKICIVVGB-HUUCEWRRSA-N 2 0 360.524 -0.032 20 30 FBEDRP C#CC[C@H](COC)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875601437 661523860 /nfs/dbraw/zinc/52/38/60/661523860.db2.gz LCUHYBYXBPSXOU-BZUAXINKSA-N 2 0 352.479 -0.661 20 30 FBEDRP C#CC[C@@H](COC)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875601438 661523742 /nfs/dbraw/zinc/52/37/42/661523742.db2.gz LCUHYBYXBPSXOU-OAGGEKHMSA-N 2 0 352.479 -0.661 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)CC1 ZINC000911236218 660065635 /nfs/dbraw/zinc/06/56/35/660065635.db2.gz NGEUEHPDEFLAQH-INIZCTEOSA-N 2 0 352.479 -0.020 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)CC1 ZINC000911236219 660065551 /nfs/dbraw/zinc/06/55/51/660065551.db2.gz NGEUEHPDEFLAQH-MRXNPFEDSA-N 2 0 352.479 -0.020 20 30 FBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911236288 660065666 /nfs/dbraw/zinc/06/56/66/660065666.db2.gz OWEGBSPFUHBLTK-UHFFFAOYSA-N 2 0 351.495 -0.318 20 30 FBEDRP C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000922021653 660446961 /nfs/dbraw/zinc/44/69/61/660446961.db2.gz ATMXBMJUATUQOR-UHFFFAOYSA-N 2 0 356.536 -0.017 20 30 FBEDRP C#CCN(C(=O)C(=O)NCCC[N@@H+](C)CCOC)C1CC[NH+](C)CC1 ZINC000929526960 661667080 /nfs/dbraw/zinc/66/70/80/661667080.db2.gz YJHMSBDCAKQORR-UHFFFAOYSA-N 2 0 352.479 -0.373 20 30 FBEDRP C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1)C1CC[NH+](C)CC1 ZINC000930008797 661673571 /nfs/dbraw/zinc/67/35/71/661673571.db2.gz HLKVALSLGPJYIW-HNNXBMFYSA-N 2 0 350.463 -0.621 20 30 FBEDRP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)C1CC[NH+](C)CC1 ZINC000930008798 661673592 /nfs/dbraw/zinc/67/35/92/661673592.db2.gz HLKVALSLGPJYIW-OAHLLOKOSA-N 2 0 350.463 -0.621 20 30 FBEDRP C#CCN(C(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)C1CC[NH+](C)CC1 ZINC000932463643 661707635 /nfs/dbraw/zinc/70/76/35/661707635.db2.gz HXJVFOPCTTUOCV-INIZCTEOSA-N 2 0 352.479 -0.375 20 30 FBEDRP C#CCN(C(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)C1CC[NH+](C)CC1 ZINC000932463644 661707604 /nfs/dbraw/zinc/70/76/04/661707604.db2.gz HXJVFOPCTTUOCV-MRXNPFEDSA-N 2 0 352.479 -0.375 20 30 FBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)[C@@H]2C)CC1 ZINC001089060063 836949926 /nfs/dbraw/zinc/94/99/26/836949926.db2.gz QLNXRRAEXPQPLB-ZBFHGGJFSA-N 2 0 355.504 -0.045 20 30 FBEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431553 842497333 /nfs/dbraw/zinc/49/73/33/842497333.db2.gz TXLVUCAVZZERLB-QAPCUYQASA-N 2 0 352.479 -0.353 20 30 FBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431610 842497352 /nfs/dbraw/zinc/49/73/52/842497352.db2.gz WFYUEHRLXUJDLO-QAPCUYQASA-N 2 0 350.463 -0.906 20 30 FBEDRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102015850 842569202 /nfs/dbraw/zinc/56/92/02/842569202.db2.gz TWMHTDXXXBAMLM-KFWWJZLASA-N 2 0 355.458 -0.010 20 30 FBEDRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102015851 842568972 /nfs/dbraw/zinc/56/89/72/842568972.db2.gz TWMHTDXXXBAMLM-RBSFLKMASA-N 2 0 355.458 -0.010 20 30 FBEDRP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318718 842618195 /nfs/dbraw/zinc/61/81/95/842618195.db2.gz HBBCMSQGYNZQDS-ZIAGYGMSSA-N 2 0 353.467 -0.366 20 30 FBEDRP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514125 842652956 /nfs/dbraw/zinc/65/29/56/842652956.db2.gz NRPBKPRUNISXQN-BZUAXINKSA-N 2 0 354.495 -0.061 20 30 FBEDRP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514126 842653851 /nfs/dbraw/zinc/65/38/51/842653851.db2.gz NRPBKPRUNISXQN-OWCLPIDISA-N 2 0 354.495 -0.061 20 30 FBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514175 842653866 /nfs/dbraw/zinc/65/38/66/842653866.db2.gz PFYBWUNLCQUQPL-BZUAXINKSA-N 2 0 352.479 -0.613 20 30 FBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514176 842652989 /nfs/dbraw/zinc/65/29/89/842652989.db2.gz PFYBWUNLCQUQPL-OWCLPIDISA-N 2 0 352.479 -0.613 20 30 FBEDRP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641958 842748117 /nfs/dbraw/zinc/74/81/17/842748117.db2.gz KKWUBTUHAIZBTG-HZPDHXFCSA-N 2 0 352.479 -0.612 20 30 FBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642223 842748382 /nfs/dbraw/zinc/74/83/82/842748382.db2.gz VHKRLTYWQGRAGN-HUUCEWRRSA-N 2 0 353.467 -0.721 20 30 FBEDRP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642317 842748020 /nfs/dbraw/zinc/74/80/20/842748020.db2.gz ZRZALNVXXCMTLI-HZPDHXFCSA-N 2 0 354.495 -0.059 20 30 FBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104907931 836071481 /nfs/dbraw/zinc/07/14/81/836071481.db2.gz AFCBQYWJDFHYDX-HZPDHXFCSA-N 2 0 352.479 -0.612 20 30 FBEDRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104908077 836070885 /nfs/dbraw/zinc/07/08/85/836070885.db2.gz ICYUNGXHKNOZSW-HUUCEWRRSA-N 2 0 353.467 -0.721 20 30 FBEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908364 836071243 /nfs/dbraw/zinc/07/12/43/836071243.db2.gz UDWNVFARWDVTHG-HZPDHXFCSA-N 2 0 354.495 -0.059 20 30 FBEDRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106198825 837041071 /nfs/dbraw/zinc/04/10/71/837041071.db2.gz PGXMCKOFWYBVFS-KFWWJZLASA-N 2 0 355.458 -0.010 20 30 FBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106198826 837041666 /nfs/dbraw/zinc/04/16/66/837041666.db2.gz PGXMCKOFWYBVFS-RBSFLKMASA-N 2 0 355.458 -0.010 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622888 837088842 /nfs/dbraw/zinc/08/88/42/837088842.db2.gz VWBNLXFLWFMOBH-ZIAGYGMSSA-N 2 0 353.467 -0.366 20 30 FBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001106766547 837112162 /nfs/dbraw/zinc/11/21/62/837112162.db2.gz JYNJKAWFUYXKGI-HZPDHXFCSA-N 2 0 350.463 -0.858 20 30 FBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001106766773 837111782 /nfs/dbraw/zinc/11/17/82/837111782.db2.gz TXKKSOIHUNSVSW-HZPDHXFCSA-N 2 0 352.479 -0.305 20 30 FBEDRP C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106766881 837111735 /nfs/dbraw/zinc/11/17/35/837111735.db2.gz WAXJKUCBBSJFBD-HUUCEWRRSA-N 2 0 351.451 -0.967 20 30 FBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882009 837133587 /nfs/dbraw/zinc/13/35/87/837133587.db2.gz ONEBBZPJQSECBP-BZUAXINKSA-N 2 0 352.479 -0.613 20 30 FBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882010 837132922 /nfs/dbraw/zinc/13/29/22/837132922.db2.gz ONEBBZPJQSECBP-OWCLPIDISA-N 2 0 352.479 -0.613 20 30 FBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882372 837133504 /nfs/dbraw/zinc/13/35/04/837133504.db2.gz SXRIWESCHPWOFY-BZUAXINKSA-N 2 0 354.495 -0.061 20 30 FBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106882374 837132971 /nfs/dbraw/zinc/13/29/71/837132971.db2.gz SXRIWESCHPWOFY-OWCLPIDISA-N 2 0 354.495 -0.061 20 30 FBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001107009025 837214607 /nfs/dbraw/zinc/21/46/07/837214607.db2.gz IBQGWPSKMZRGMN-BZUAXINKSA-N 2 0 352.479 -0.307 20 30 FBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001107009026 837214722 /nfs/dbraw/zinc/21/47/22/837214722.db2.gz IBQGWPSKMZRGMN-OAGGEKHMSA-N 2 0 352.479 -0.307 20 30 FBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001107009178 837215228 /nfs/dbraw/zinc/21/52/28/837215228.db2.gz MUSVLOTUNGVMON-BZUAXINKSA-N 2 0 350.463 -0.859 20 30 FBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001107009184 837214628 /nfs/dbraw/zinc/21/46/28/837214628.db2.gz MUSVLOTUNGVMON-OAGGEKHMSA-N 2 0 350.463 -0.859 20 30 FBEDRP CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001107009547 837214928 /nfs/dbraw/zinc/21/49/28/837214928.db2.gz UUPQBRJFFTVKHI-KFWWJZLASA-N 2 0 351.451 -0.969 20 30 FBEDRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001107009551 837215046 /nfs/dbraw/zinc/21/50/46/837215046.db2.gz UUPQBRJFFTVKHI-RBSFLKMASA-N 2 0 351.451 -0.969 20 30 FBEDRP C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119224070 843427520 /nfs/dbraw/zinc/42/75/20/843427520.db2.gz XOIIQPJEZGLDEC-HZPDHXFCSA-N 2 0 354.495 -0.107 20 30 FBEDRP C[NH+]1CCN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001120467286 843555294 /nfs/dbraw/zinc/55/52/94/843555294.db2.gz IAUJIIPPMUCVAZ-UHFFFAOYSA-N 2 0 351.476 -0.046 20 30 FBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570673 837162407 /nfs/dbraw/zinc/16/24/07/837162407.db2.gz BJTBUOTZOYKTJE-WBVHZDCISA-N 2 0 350.463 -0.812 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127705876 837194511 /nfs/dbraw/zinc/19/45/11/837194511.db2.gz ICLVMQSIGPVFQP-HZSPNIEDSA-N 2 0 353.467 -0.177 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706129 837194661 /nfs/dbraw/zinc/19/46/61/837194661.db2.gz ICLVMQSIGPVFQP-MELADBBJSA-N 2 0 353.467 -0.177 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC001157971280 843852046 /nfs/dbraw/zinc/85/20/46/843852046.db2.gz WZOQSNVOLTYXAM-ILXRZTDVSA-N 2 0 353.444 -0.134 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001157971281 843852276 /nfs/dbraw/zinc/85/22/76/843852276.db2.gz WZOQSNVOLTYXAM-QLFBSQMISA-N 2 0 353.444 -0.134 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001158337521 843859036 /nfs/dbraw/zinc/85/90/36/843859036.db2.gz WVHXTXACLJOIBN-SYAUCNOPSA-N 2 0 365.455 -0.209 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158390062 843861687 /nfs/dbraw/zinc/86/16/87/843861687.db2.gz PIRKLJBFCKVCCB-BFHYXJOUSA-N 2 0 353.467 -0.177 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158390063 843861314 /nfs/dbraw/zinc/86/13/14/843861314.db2.gz PIRKLJBFCKVCCB-MGPQQGTHSA-N 2 0 353.467 -0.177 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158404064 843861232 /nfs/dbraw/zinc/86/12/32/843861232.db2.gz PBLDELQJNBZLGM-UONOGXRCSA-N 2 0 353.467 -0.176 20 30 FBEDRP C=CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160431955 843901499 /nfs/dbraw/zinc/90/14/99/843901499.db2.gz JJXUDXFSPYYFMY-HOTGVXAUSA-N 2 0 351.495 -0.236 20 30 FBEDRP [NH3+][C@@H]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H](S)C[NH2+]3)c2)C[C@H]1O ZINC001160656385 843906610 /nfs/dbraw/zinc/90/66/10/843906610.db2.gz XBFIKGOYHGVIAH-LJISPDSOSA-N 2 0 364.471 -0.181 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)C1 ZINC001161207661 843680721 /nfs/dbraw/zinc/68/07/21/843680721.db2.gz CBGLJIJOAQDKNX-CABCVRRESA-N 2 0 359.492 -0.069 20 30 FBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001171485711 840256608 /nfs/dbraw/zinc/25/66/08/840256608.db2.gz CJNQHPWQZCOYAM-RBSFLKMASA-N 2 0 353.467 -0.390 20 30 FBEDRP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001171485712 840256806 /nfs/dbraw/zinc/25/68/06/840256806.db2.gz CJNQHPWQZCOYAM-RRFJBIMHSA-N 2 0 353.467 -0.390 20 30 FBEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001171500235 840257073 /nfs/dbraw/zinc/25/70/73/840257073.db2.gz JENHWXFJNIKAPP-ARFHVFGLSA-N 2 0 352.479 -0.281 20 30 FBEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001171500236 840256991 /nfs/dbraw/zinc/25/69/91/840256991.db2.gz JENHWXFJNIKAPP-BZUAXINKSA-N 2 0 352.479 -0.281 20 30 FBEDRP CCOC(=O)CON=C(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1ccn[nH]1 ZINC001177264101 840313865 /nfs/dbraw/zinc/31/38/65/840313865.db2.gz RPOKSPYVNAXPAN-NDENLUEZSA-N 2 0 353.383 -0.846 20 30 FBEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001178810863 840344471 /nfs/dbraw/zinc/34/44/71/840344471.db2.gz MWIOHZHQJZDSJF-HZPDHXFCSA-N 2 0 352.479 -0.279 20 30 FBEDRP C[C@@H]1CN(C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)O1 ZINC001178811117 840344391 /nfs/dbraw/zinc/34/43/91/840344391.db2.gz RFFCRNGTRYBWQY-HUUCEWRRSA-N 2 0 353.467 -0.389 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676650 840436444 /nfs/dbraw/zinc/43/64/44/840436444.db2.gz PFMZMWROOSOOON-MGPQQGTHSA-N 2 0 351.451 -0.471 20 30 FBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103087 841119994 /nfs/dbraw/zinc/11/99/94/841119994.db2.gz UNIHNBOGRVZKRH-HZPDHXFCSA-N 2 0 355.479 -0.291 20 30 FBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306447 841338038 /nfs/dbraw/zinc/33/80/38/841338038.db2.gz CVAGGBISFRWLRQ-BRWVUGGUSA-N 2 0 355.479 -0.149 20 30 FBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306448 841337246 /nfs/dbraw/zinc/33/72/46/841337246.db2.gz CVAGGBISFRWLRQ-GVDBMIGSSA-N 2 0 355.479 -0.149 20 30 FBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536576 852208340 /nfs/dbraw/zinc/20/83/40/852208340.db2.gz DABLSLYIHBWPOC-BZUAXINKSA-N 2 0 352.479 -0.164 20 30 FBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536579 852208651 /nfs/dbraw/zinc/20/86/51/852208651.db2.gz DABLSLYIHBWPOC-OWCLPIDISA-N 2 0 352.479 -0.164 20 30 FBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536793 852209598 /nfs/dbraw/zinc/20/95/98/852209598.db2.gz GYKNACLXGHOIHR-BZUAXINKSA-N 2 0 350.463 -0.717 20 30 FBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536798 852209479 /nfs/dbraw/zinc/20/94/79/852209479.db2.gz GYKNACLXGHOIHR-OWCLPIDISA-N 2 0 350.463 -0.717 20 30 FBEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001200537107 852209525 /nfs/dbraw/zinc/20/95/25/852209525.db2.gz KTMPXJJMWCGXFX-QLFBSQMISA-N 2 0 351.451 -0.827 20 30 FBEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001200537108 852209808 /nfs/dbraw/zinc/20/98/08/852209808.db2.gz KTMPXJJMWCGXFX-RBSFLKMASA-N 2 0 351.451 -0.827 20 30 FBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 ZINC001200788520 852242215 /nfs/dbraw/zinc/24/22/15/852242215.db2.gz ZCEDUOVSSNPMIQ-BRWVUGGUSA-N 2 0 353.463 -0.438 20 30 FBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 ZINC001200788526 852242326 /nfs/dbraw/zinc/24/23/26/852242326.db2.gz ZCEDUOVSSNPMIQ-IXDOHACOSA-N 2 0 353.463 -0.438 20 30 FBEDRP C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208699758 844113510 /nfs/dbraw/zinc/11/35/10/844113510.db2.gz SGLCWCAJGNUELY-MCIONIFRSA-N 2 0 353.467 -0.225 20 30 FBEDRP C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483491 837544051 /nfs/dbraw/zinc/54/40/51/837544051.db2.gz KBDPQOXHQMFFSX-RBSFLKMASA-N 2 0 352.479 -0.330 20 30 FBEDRP C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483492 837543358 /nfs/dbraw/zinc/54/33/58/837543358.db2.gz KBDPQOXHQMFFSX-RRFJBIMHSA-N 2 0 352.479 -0.330 20 30 FBEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863738 844403789 /nfs/dbraw/zinc/40/37/89/844403789.db2.gz RGDULSGWLVBQNY-BRWVUGGUSA-N 2 0 355.479 -0.027 20 30 FBEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863739 844403834 /nfs/dbraw/zinc/40/38/34/844403834.db2.gz RGDULSGWLVBQNY-GVDBMIGSSA-N 2 0 355.479 -0.027 20 30 FBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2OC)CC1 ZINC001213914579 844416907 /nfs/dbraw/zinc/41/69/07/844416907.db2.gz MAJIULOFYTUPPM-BRWVUGGUSA-N 2 0 353.463 -0.846 20 30 FBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2OC)CC1 ZINC001213914580 844416739 /nfs/dbraw/zinc/41/67/39/844416739.db2.gz MAJIULOFYTUPPM-GVDBMIGSSA-N 2 0 353.463 -0.846 20 30 FBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2OC)CC1 ZINC001213914715 844416763 /nfs/dbraw/zinc/41/67/63/844416763.db2.gz TUOKFONJZQSJEE-IAGOWNOFSA-N 2 0 353.463 -0.844 20 30 FBEDRP C#CCNC(=O)CN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916641 844416667 /nfs/dbraw/zinc/41/66/67/844416667.db2.gz BJCPPLVEUGNTRU-HZPDHXFCSA-N 2 0 350.463 -0.573 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214344473 844458559 /nfs/dbraw/zinc/45/85/59/844458559.db2.gz URSSDILRRAQSMW-MCIONIFRSA-N 2 0 351.451 -0.471 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214344475 844458539 /nfs/dbraw/zinc/45/85/39/844458539.db2.gz URSSDILRRAQSMW-MGPQQGTHSA-N 2 0 351.451 -0.471 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214953023 844510570 /nfs/dbraw/zinc/51/05/70/844510570.db2.gz XEMUKHMWDMPDEV-MGPQQGTHSA-N 2 0 353.467 -0.225 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421603 844544640 /nfs/dbraw/zinc/54/46/40/844544640.db2.gz IHYGXHWYVPXVPO-ZIAGYGMSSA-N 2 0 353.467 -0.224 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458747 844547079 /nfs/dbraw/zinc/54/70/79/844547079.db2.gz IJUYDCDWXANDSI-HZSPNIEDSA-N 2 0 353.467 -0.225 20 30 FBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458748 844547116 /nfs/dbraw/zinc/54/71/16/844547116.db2.gz IJUYDCDWXANDSI-MGPQQGTHSA-N 2 0 353.467 -0.225 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571837 844550909 /nfs/dbraw/zinc/55/09/09/844550909.db2.gz XEMUKHMWDMPDEV-MCIONIFRSA-N 2 0 353.467 -0.225 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215994144 844572291 /nfs/dbraw/zinc/57/22/91/844572291.db2.gz ROEAYXNNNADNCD-ZIAGYGMSSA-N 2 0 353.467 -0.224 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216216793 844580238 /nfs/dbraw/zinc/58/02/38/844580238.db2.gz AOOMVFBUCYRACQ-ZIAGYGMSSA-N 2 0 353.467 -0.224 20 30 FBEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1=O ZINC001216405241 844588824 /nfs/dbraw/zinc/58/88/24/844588824.db2.gz IXRGDUVQLMPMHT-BZUAXINKSA-N 2 0 352.479 -0.212 20 30 FBEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1=O ZINC001216405242 844588232 /nfs/dbraw/zinc/58/82/32/844588232.db2.gz IXRGDUVQLMPMHT-OWCLPIDISA-N 2 0 352.479 -0.212 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216503051 844590445 /nfs/dbraw/zinc/59/04/45/844590445.db2.gz LQRIKEKPNPSEDR-ZIAGYGMSSA-N 2 0 353.467 -0.224 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754515 844602859 /nfs/dbraw/zinc/60/28/59/844602859.db2.gz YMJNUHUWRQXRGK-HZSPNIEDSA-N 2 0 351.451 -0.614 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754516 844603993 /nfs/dbraw/zinc/60/39/93/844603993.db2.gz YMJNUHUWRQXRGK-MGPQQGTHSA-N 2 0 351.451 -0.614 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216756202 844603787 /nfs/dbraw/zinc/60/37/87/844603787.db2.gz WUJLAQGYIHFPFL-ZIAGYGMSSA-N 2 0 351.451 -0.470 20 30 FBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757552 844604129 /nfs/dbraw/zinc/60/41/29/844604129.db2.gz CRWUEHKGEVXREA-BZUAXINKSA-N 2 0 352.479 -0.307 20 30 FBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757553 844604272 /nfs/dbraw/zinc/60/42/72/844604272.db2.gz CRWUEHKGEVXREA-OWCLPIDISA-N 2 0 352.479 -0.307 20 30 FBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757728 844604039 /nfs/dbraw/zinc/60/40/39/844604039.db2.gz KCGPSVKLQKAHQM-BZUAXINKSA-N 2 0 350.463 -0.859 20 30 FBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757729 844604068 /nfs/dbraw/zinc/60/40/68/844604068.db2.gz KCGPSVKLQKAHQM-OWCLPIDISA-N 2 0 350.463 -0.859 20 30 FBEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216757925 844603769 /nfs/dbraw/zinc/60/37/69/844603769.db2.gz RHYIIJDRZCQHNW-QLFBSQMISA-N 2 0 351.451 -0.969 20 30 FBEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216757926 844604191 /nfs/dbraw/zinc/60/41/91/844604191.db2.gz RHYIIJDRZCQHNW-RBSFLKMASA-N 2 0 351.451 -0.969 20 30 FBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001216837519 844612280 /nfs/dbraw/zinc/61/22/80/844612280.db2.gz GVTOGRONDBRYMU-GDBMZVCRSA-N 2 0 355.504 -0.187 20 30 FBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001216843026 844613252 /nfs/dbraw/zinc/61/32/52/844613252.db2.gz SBDACSNAWOJKSF-GDBMZVCRSA-N 2 0 370.519 -0.683 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)C1 ZINC001218531947 844712464 /nfs/dbraw/zinc/71/24/64/844712464.db2.gz BZODNBWEFARITA-MRTMQBJTSA-N 2 0 360.461 -0.396 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC001218531954 844712551 /nfs/dbraw/zinc/71/25/51/844712551.db2.gz BZODNBWEFARITA-XKSSXDPKSA-N 2 0 360.461 -0.396 20 30 FBEDRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218553640 844715290 /nfs/dbraw/zinc/71/52/90/844715290.db2.gz RCGSDWWFOMQVEM-UHFFFAOYSA-N 2 0 357.461 -0.576 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)C1 ZINC001218553824 844714854 /nfs/dbraw/zinc/71/48/54/844714854.db2.gz RYCANFFDRQNVNN-KCJUWKMLSA-N 2 0 370.456 -0.089 20 30 FBEDRP N#Cc1c2c(sc1NC(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C[NH2+]CC2 ZINC001218555216 844715125 /nfs/dbraw/zinc/71/51/25/844715125.db2.gz YBXQOWSMNMUJQV-LLVKDONJSA-N 2 0 366.468 -0.019 20 30 FBEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C[NH2+]CC2 ZINC001218555217 844714902 /nfs/dbraw/zinc/71/49/02/844714902.db2.gz YBXQOWSMNMUJQV-NSHDSACASA-N 2 0 366.468 -0.019 20 30 FBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778157 844735534 /nfs/dbraw/zinc/73/55/34/844735534.db2.gz KJPMTEQKYNPZND-CVXDLRIPSA-N 2 0 366.853 -0.467 20 30 FBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778158 844735358 /nfs/dbraw/zinc/73/53/58/844735358.db2.gz KJPMTEQKYNPZND-LDMQVWGESA-N 2 0 366.853 -0.467 20 30 FBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778159 844735918 /nfs/dbraw/zinc/73/59/18/844735918.db2.gz KJPMTEQKYNPZND-OJLPPKNESA-N 2 0 366.853 -0.467 20 30 FBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778160 844735819 /nfs/dbraw/zinc/73/58/19/844735819.db2.gz KJPMTEQKYNPZND-QUIZZNFMSA-N 2 0 366.853 -0.467 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC001219028285 844759661 /nfs/dbraw/zinc/75/96/61/844759661.db2.gz YIKPINWPKNRTHQ-OLZOCXBDSA-N 2 0 355.416 -0.186 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119429 844784156 /nfs/dbraw/zinc/78/41/56/844784156.db2.gz XYANTAMIVVWFGH-CABCVRRESA-N 2 0 368.459 -0.259 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219537282 844902188 /nfs/dbraw/zinc/90/21/88/844902188.db2.gz KSAZIONWSMWIKH-IHOMSZDFSA-N 2 0 367.427 -0.220 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219537283 844902888 /nfs/dbraw/zinc/90/28/88/844902888.db2.gz KSAZIONWSMWIKH-IUCKATPISA-N 2 0 367.427 -0.220 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219537284 844903105 /nfs/dbraw/zinc/90/31/05/844903105.db2.gz KSAZIONWSMWIKH-KLTVKPSUSA-N 2 0 367.427 -0.220 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219537285 844902791 /nfs/dbraw/zinc/90/27/91/844902791.db2.gz KSAZIONWSMWIKH-KOXOONSLSA-N 2 0 367.427 -0.220 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001219705060 844960524 /nfs/dbraw/zinc/96/05/24/844960524.db2.gz DBANZTQESUTCHO-CABCVRRESA-N 2 0 353.444 -0.345 20 30 FBEDRP [NH3+][C@H]1COC[C@H]1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001219720682 844964594 /nfs/dbraw/zinc/96/45/94/844964594.db2.gz OSHRPDUGUIBOLT-XDQVBPFNSA-N 2 0 350.444 -0.259 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743303 844977552 /nfs/dbraw/zinc/97/75/52/844977552.db2.gz BNERBVCZIGFQHR-UPJWGTAASA-N 2 0 361.464 -0.890 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743304 844976691 /nfs/dbraw/zinc/97/66/91/844976691.db2.gz BNERBVCZIGFQHR-XQQFMLRXSA-N 2 0 361.464 -0.890 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCC[C@H]2C[NH2+]Cc3cccn3C2)C1 ZINC001219791757 844993557 /nfs/dbraw/zinc/99/35/57/844993557.db2.gz UPEXDQFFCQIVNN-CFVMTHIKSA-N 2 0 370.475 -0.580 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCC[C@@H]2C[NH2+]Cc3cccn3C2)C1 ZINC001219791758 844992958 /nfs/dbraw/zinc/99/29/58/844992958.db2.gz UPEXDQFFCQIVNN-YUELXQCFSA-N 2 0 370.475 -0.580 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)C1 ZINC001219796429 844996261 /nfs/dbraw/zinc/99/62/61/844996261.db2.gz ZTVSEXYUIGYJEM-CABCVRRESA-N 3 0 374.507 -0.974 20 30 FBEDRP C=CCN1CC[C@H](N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1=O ZINC001219802009 844998961 /nfs/dbraw/zinc/99/89/61/844998961.db2.gz CNWFVRFZSPFCDZ-ILXRZTDVSA-N 2 0 350.463 -0.581 20 30 FBEDRP C=CCN1CC[C@@H](N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1=O ZINC001219802010 844998774 /nfs/dbraw/zinc/99/87/74/844998774.db2.gz CNWFVRFZSPFCDZ-KFWWJZLASA-N 2 0 350.463 -0.581 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001219818910 845009099 /nfs/dbraw/zinc/00/90/99/845009099.db2.gz SXQBCEDFHBOUDA-KBXIAJHMSA-N 2 0 353.444 -0.088 20 30 FBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877893 845037318 /nfs/dbraw/zinc/03/73/18/845037318.db2.gz UNIHNBOGRVZKRH-CVEARBPZSA-N 2 0 355.479 -0.291 20 30 FBEDRP COC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220036522 845106561 /nfs/dbraw/zinc/10/65/61/845106561.db2.gz PKLHDWYKPGHETC-SRVKXCTJSA-N 2 0 360.480 -0.979 20 30 FBEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220125029 845141610 /nfs/dbraw/zinc/14/16/10/845141610.db2.gz VFIAVMKBYMEBTQ-KBPBESRZSA-N 2 0 354.451 -0.331 20 30 FBEDRP [NH3+]CC1(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H](S)C[NH2+]3)c2)COC1 ZINC001220157142 845150526 /nfs/dbraw/zinc/15/05/26/845150526.db2.gz YJOXCNBOAIRSMU-STQMWFEESA-N 2 0 350.444 -0.257 20 30 FBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387132 845226067 /nfs/dbraw/zinc/22/60/67/845226067.db2.gz CVAGGBISFRWLRQ-BBWFWOEESA-N 2 0 355.479 -0.149 20 30 FBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387137 845225535 /nfs/dbraw/zinc/22/55/35/845225535.db2.gz CVAGGBISFRWLRQ-ZACQAIPSSA-N 2 0 355.479 -0.149 20 30 FBEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220498431 845269463 /nfs/dbraw/zinc/26/94/63/845269463.db2.gz GNGMRBSROLVCQL-AVGNSLFASA-N 2 0 353.423 -0.995 20 30 FBEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220498434 845269127 /nfs/dbraw/zinc/26/91/27/845269127.db2.gz GNGMRBSROLVCQL-XQQFMLRXSA-N 2 0 353.423 -0.995 20 30 FBEDRP CN(CC[NH3+])CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001220517424 845279307 /nfs/dbraw/zinc/27/93/07/845279307.db2.gz LFAIXOJGANZNDT-GJZGRUSLSA-N 2 0 365.503 -0.094 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)C1 ZINC001220791214 845393983 /nfs/dbraw/zinc/39/39/83/845393983.db2.gz XGHATDMVBWOBQR-APIJFGDWSA-N 2 0 368.459 -0.445 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC[NH2+][C@H]2c2cccnc2)C1 ZINC001220791215 845395644 /nfs/dbraw/zinc/39/56/44/845395644.db2.gz XGHATDMVBWOBQR-KBXIAJHMSA-N 2 0 368.459 -0.445 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)C1 ZINC001220791217 845395512 /nfs/dbraw/zinc/39/55/12/845395512.db2.gz XGHATDMVBWOBQR-LJISPDSOSA-N 2 0 368.459 -0.445 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)C1 ZINC001220791219 845394988 /nfs/dbraw/zinc/39/49/88/845394988.db2.gz XGHATDMVBWOBQR-XGUBFFRZSA-N 2 0 368.459 -0.445 20 30 FBEDRP N#CC1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCOCC1 ZINC001220967271 845448669 /nfs/dbraw/zinc/44/86/69/845448669.db2.gz YHULEAHDGPPXRE-KBPBESRZSA-N 2 0 351.451 -0.377 20 30 FBEDRP C#CC[C@H]([NH3+])C(=O)N[C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070387 845492483 /nfs/dbraw/zinc/49/24/83/845492483.db2.gz PKVKCACPLWFOGM-KPRKPIBOSA-N 2 0 353.463 -0.245 20 30 FBEDRP C#C[C@](C)([NH3+])C(=O)N[C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072778 845493446 /nfs/dbraw/zinc/49/34/46/845493446.db2.gz RCTHHCJVOMDVOG-VEWYWMFCSA-N 2 0 353.463 -0.245 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)C1 ZINC001221123928 845514870 /nfs/dbraw/zinc/51/48/70/845514870.db2.gz PBIRLTZKKYFVKK-KGLIPLIRSA-N 2 0 368.459 -0.517 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC(C3=CC=C(N)C[NH2+]3)CC2)C1 ZINC001221392248 845573036 /nfs/dbraw/zinc/57/30/36/845573036.db2.gz KPHGEFSUVGKVMN-HIFRSBDPSA-N 2 0 370.475 -0.739 20 30 FBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001221398670 845574014 /nfs/dbraw/zinc/57/40/14/845574014.db2.gz FPTKPYJCGXIHPH-ZNMIVQPWSA-N 2 0 353.444 -0.476 20 30 FBEDRP C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001227953761 845865580 /nfs/dbraw/zinc/86/55/80/845865580.db2.gz JJZDBLDJCWMPNT-IIAWOOMASA-N 2 0 350.463 -0.576 20 30 FBEDRP C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001227953762 845865837 /nfs/dbraw/zinc/86/58/37/845865837.db2.gz JJZDBLDJCWMPNT-IJEWVQPXSA-N 2 0 350.463 -0.576 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365619 845877401 /nfs/dbraw/zinc/87/74/01/845877401.db2.gz GBMUHCWDGBHGEJ-ZIAGYGMSSA-N 2 0 353.467 -0.033 20 30 FBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229715975 845910653 /nfs/dbraw/zinc/91/06/53/845910653.db2.gz DUPQRYWNXUWJBX-ARFHVFGLSA-N 2 0 352.479 -0.281 20 30 FBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229715979 845910568 /nfs/dbraw/zinc/91/05/68/845910568.db2.gz DUPQRYWNXUWJBX-BZUAXINKSA-N 2 0 352.479 -0.281 20 30 FBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(CC)CCO1 ZINC001230215259 845925893 /nfs/dbraw/zinc/92/58/93/845925893.db2.gz LFWDATGGNNWTCO-BZUAXINKSA-N 2 0 350.463 -0.527 20 30 FBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(CC)CCO1 ZINC001230215260 845926259 /nfs/dbraw/zinc/92/62/59/845926259.db2.gz LFWDATGGNNWTCO-OAGGEKHMSA-N 2 0 350.463 -0.527 20 30 FBEDRP CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001230215347 845926331 /nfs/dbraw/zinc/92/63/31/845926331.db2.gz NGTACQWVUAVMTP-KFWWJZLASA-N 2 0 351.451 -0.636 20 30 FBEDRP CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001230215349 845926068 /nfs/dbraw/zinc/92/60/68/845926068.db2.gz NGTACQWVUAVMTP-RBSFLKMASA-N 2 0 351.451 -0.636 20 30 FBEDRP N#Cc1ccc(F)c(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239130331 846080573 /nfs/dbraw/zinc/08/05/73/846080573.db2.gz ADULWCBZUBVGLO-UHFFFAOYSA-N 2 0 371.438 -0.498 20 30 FBEDRP N#Cc1cccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131047 846080475 /nfs/dbraw/zinc/08/04/75/846080475.db2.gz JQBQTIJIVYNRJJ-UHFFFAOYSA-N 2 0 353.448 -0.637 20 30 FBEDRP N#Cc1ccc(CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239131269 846080459 /nfs/dbraw/zinc/08/04/59/846080459.db2.gz LFFMHINOMMERON-UHFFFAOYSA-N 2 0 367.475 -0.496 20 30 FBEDRP N#Cc1ccccc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131355 846080288 /nfs/dbraw/zinc/08/02/88/846080288.db2.gz MUZKYVQYYNYISK-UHFFFAOYSA-N 2 0 353.448 -0.637 20 30 FBEDRP Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1C#N ZINC001239131386 846080356 /nfs/dbraw/zinc/08/03/56/846080356.db2.gz NRCOWBNUMWCBNG-UHFFFAOYSA-N 2 0 367.475 -0.329 20 30 FBEDRP N#Cc1cc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1F ZINC001239131554 846080500 /nfs/dbraw/zinc/08/05/00/846080500.db2.gz QSMXHMHIFZRTFV-UHFFFAOYSA-N 2 0 371.438 -0.498 20 30 FBEDRP N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239131621 846080682 /nfs/dbraw/zinc/08/06/82/846080682.db2.gz SFKVGAFQZJRDHS-UHFFFAOYSA-N 2 0 353.448 -0.637 20 30 FBEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC001251024642 846137809 /nfs/dbraw/zinc/13/78/09/846137809.db2.gz QRVOQGKRVWLJJR-IBGZPJMESA-N 2 0 352.523 -0.029 20 30 FBEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001251024643 846137854 /nfs/dbraw/zinc/13/78/54/846137854.db2.gz QRVOQGKRVWLJJR-LJQANCHMSA-N 2 0 352.523 -0.029 20 30 FBEDRP C#CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251839005 846164270 /nfs/dbraw/zinc/16/42/70/846164270.db2.gz BHCILBISJAXUGA-BRWVUGGUSA-N 2 0 353.463 -0.892 20 30 FBEDRP C#CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001251839007 846164335 /nfs/dbraw/zinc/16/43/35/846164335.db2.gz BHCILBISJAXUGA-IXDOHACOSA-N 2 0 353.463 -0.892 20 30 FBEDRP C=CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252464472 846190105 /nfs/dbraw/zinc/19/01/05/846190105.db2.gz ZKRUOKRYINKLJU-BRWVUGGUSA-N 2 0 355.479 -0.339 20 30 FBEDRP C=CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252464473 846190285 /nfs/dbraw/zinc/19/02/85/846190285.db2.gz ZKRUOKRYINKLJU-IXDOHACOSA-N 2 0 355.479 -0.339 20 30 FBEDRP C#CCN(C(=O)C(=O)NCC[N@@H+](C)CCCOC)C1CC[NH+](C)CC1 ZINC001262262165 846693939 /nfs/dbraw/zinc/69/39/39/846693939.db2.gz IPNDMLZHEVKMNI-UHFFFAOYSA-N 2 0 352.479 -0.373 20 30 FBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001264523877 846824356 /nfs/dbraw/zinc/82/43/56/846824356.db2.gz CFGUBANVHQLPAC-BZUAXINKSA-N 2 0 352.479 -0.164 20 30 FBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001264523878 846824394 /nfs/dbraw/zinc/82/43/94/846824394.db2.gz CFGUBANVHQLPAC-OWCLPIDISA-N 2 0 352.479 -0.164 20 30 FBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001264524163 846824490 /nfs/dbraw/zinc/82/44/90/846824490.db2.gz MUKRXNGOFDVQEE-BZUAXINKSA-N 2 0 350.463 -0.717 20 30 FBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001264524164 846824258 /nfs/dbraw/zinc/82/42/58/846824258.db2.gz MUKRXNGOFDVQEE-OWCLPIDISA-N 2 0 350.463 -0.717 20 30 FBEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273394575 839229659 /nfs/dbraw/zinc/22/96/59/839229659.db2.gz DWEXONBTZQWANS-UHFFFAOYSA-N 2 0 350.463 -0.360 20 30 FBEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273395346 839229475 /nfs/dbraw/zinc/22/94/75/839229475.db2.gz QTHOCNCQCXWHMW-UHFFFAOYSA-N 2 0 350.463 -0.360 20 30 FBEDRP C=CCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275836107 841967409 /nfs/dbraw/zinc/96/74/09/841967409.db2.gz RLMPIIAYCUNVEK-BFHYXJOUSA-N 2 0 353.467 -0.225 20 30 FBEDRP C=CCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275836108 841967994 /nfs/dbraw/zinc/96/79/94/841967994.db2.gz RLMPIIAYCUNVEK-MGPQQGTHSA-N 2 0 353.467 -0.225 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277060402 845806445 /nfs/dbraw/zinc/80/64/45/845806445.db2.gz OWMDLQDGIGNEBT-CHWSQXEVSA-N 2 0 351.451 -0.423 20 30 FBEDRP C#CCOC[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277712467 845979060 /nfs/dbraw/zinc/97/90/60/845979060.db2.gz PXWGMUUAFDWSQK-AEFFLSMTSA-N 2 0 353.463 -0.890 20 30 FBEDRP C#CCOC[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277712472 845979214 /nfs/dbraw/zinc/97/92/14/845979214.db2.gz PXWGMUUAFDWSQK-FUHWJXTLSA-N 2 0 353.463 -0.890 20 30 FBEDRP C#CCOC[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277712473 845979157 /nfs/dbraw/zinc/97/91/57/845979157.db2.gz PXWGMUUAFDWSQK-SJLPKXTDSA-N 2 0 353.463 -0.890 20 30 FBEDRP C#CCOC[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277712474 845979229 /nfs/dbraw/zinc/97/92/29/845979229.db2.gz PXWGMUUAFDWSQK-WMZOPIPTSA-N 2 0 353.463 -0.890 20 30 FBEDRP C#CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277713829 845980061 /nfs/dbraw/zinc/98/00/61/845980061.db2.gz XKRXZQNKUCQRJE-CRAIPNDOSA-N 2 0 351.447 -0.600 20 30 FBEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277713830 845980177 /nfs/dbraw/zinc/98/01/77/845980177.db2.gz XKRXZQNKUCQRJE-MAUKXSAKSA-N 2 0 351.447 -0.600 20 30 FBEDRP C#CCOC[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277713831 845980368 /nfs/dbraw/zinc/98/03/68/845980368.db2.gz XKRXZQNKUCQRJE-QAPCUYQASA-N 2 0 351.447 -0.600 20 30 FBEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277713832 845980009 /nfs/dbraw/zinc/98/00/09/845980009.db2.gz XKRXZQNKUCQRJE-YJBOKZPZSA-N 2 0 351.447 -0.600 20 30 FBEDRP C=CCOC[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277774009 845993057 /nfs/dbraw/zinc/99/30/57/845993057.db2.gz DTPJUQGIMGDEPN-AEFFLSMTSA-N 2 0 355.479 -0.338 20 30 FBEDRP C=CCOC[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277774011 845992296 /nfs/dbraw/zinc/99/22/96/845992296.db2.gz DTPJUQGIMGDEPN-FUHWJXTLSA-N 2 0 355.479 -0.338 20 30 FBEDRP C=CCOC[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277774014 845992289 /nfs/dbraw/zinc/99/22/89/845992289.db2.gz DTPJUQGIMGDEPN-SJLPKXTDSA-N 2 0 355.479 -0.338 20 30 FBEDRP C=CCOC[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277774017 845994196 /nfs/dbraw/zinc/99/41/96/845994196.db2.gz DTPJUQGIMGDEPN-WMZOPIPTSA-N 2 0 355.479 -0.338 20 30 FBEDRP C=CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277774896 845994283 /nfs/dbraw/zinc/99/42/83/845994283.db2.gz KIESKKAJLYGUNY-CRAIPNDOSA-N 2 0 353.463 -0.047 20 30 FBEDRP C=CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277774898 845993975 /nfs/dbraw/zinc/99/39/75/845993975.db2.gz KIESKKAJLYGUNY-MAUKXSAKSA-N 2 0 353.463 -0.047 20 30 FBEDRP C=CCOC[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277774900 845994009 /nfs/dbraw/zinc/99/40/09/845994009.db2.gz KIESKKAJLYGUNY-QAPCUYQASA-N 2 0 353.463 -0.047 20 30 FBEDRP C=CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277774902 845993898 /nfs/dbraw/zinc/99/38/98/845993898.db2.gz KIESKKAJLYGUNY-YJBOKZPZSA-N 2 0 353.463 -0.047 20 30 FBEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001281239984 847043070 /nfs/dbraw/zinc/04/30/70/847043070.db2.gz TXHWGVCXKVSNHR-HUUCEWRRSA-N 2 0 352.479 -0.116 20 30 FBEDRP C[NH+](C)CC#CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001312859593 848279437 /nfs/dbraw/zinc/27/94/37/848279437.db2.gz AJJJUGRBXLUHDK-UHFFFAOYSA-N 2 0 351.495 -0.353 20 30 FBEDRP CCO[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C[NH2+]CC#CCOC ZINC001316683154 848105525 /nfs/dbraw/zinc/10/55/25/848105525.db2.gz JTXDJRCZVAVTIT-BRWVUGGUSA-N 2 0 353.463 -0.580 20 30 FBEDRP CCO[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C[NH2+]CC#CCOC ZINC001316683155 848106008 /nfs/dbraw/zinc/10/60/08/848106008.db2.gz JTXDJRCZVAVTIT-ZACQAIPSSA-N 2 0 353.463 -0.580 20 30 FBEDRP 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 848330231 /nfs/dbraw/zinc/33/02/31/848330231.db2.gz GHSLHOKESUWYAG-YIYPIFLZSA-N 2 0 351.451 -0.425 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319190538 848437013 /nfs/dbraw/zinc/43/70/13/848437013.db2.gz VAMIFEUKSVIHLJ-BFHYXJOUSA-N 2 0 353.467 -0.320 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319190540 848436885 /nfs/dbraw/zinc/43/68/85/848436885.db2.gz VAMIFEUKSVIHLJ-MGPQQGTHSA-N 2 0 353.467 -0.320 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001321848301 848687050 /nfs/dbraw/zinc/68/70/50/848687050.db2.gz FJPUMSXHHFZIFQ-MELADBBJSA-N 2 0 353.467 -0.177 20 30 FBEDRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCOCC2)CC[N@@H+]1C ZINC001325002088 849096289 /nfs/dbraw/zinc/09/62/89/849096289.db2.gz IEGPZNRIUPUDBK-ZIAGYGMSSA-N 2 0 351.451 -0.779 20 30 FBEDRP C#C[C@H]1COCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001325495503 849149586 /nfs/dbraw/zinc/14/95/86/849149586.db2.gz UFIVNDTVGPOJMF-HNNXBMFYSA-N 2 0 350.463 -0.669 20 30 FBEDRP C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001325495504 849149767 /nfs/dbraw/zinc/14/97/67/849149767.db2.gz UFIVNDTVGPOJMF-OAHLLOKOSA-N 2 0 350.463 -0.669 20 30 FBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001328344219 849565716 /nfs/dbraw/zinc/56/57/16/849565716.db2.gz XTVGGPSTRLLXNB-BFHYXJOUSA-N 2 0 353.467 -0.177 20 30 FBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@H]1C[NH+](C)C ZINC001330477827 849953693 /nfs/dbraw/zinc/95/36/93/849953693.db2.gz JZABXUPJYURUAE-CKEIUWERSA-N 2 0 353.442 -0.352 20 30 FBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H]1C[NH+](C)C ZINC001330477828 849954009 /nfs/dbraw/zinc/95/40/09/849954009.db2.gz JZABXUPJYURUAE-CPUCHLNUSA-N 2 0 353.442 -0.352 20 30 FBEDRP C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330495069 849956881 /nfs/dbraw/zinc/95/68/81/849956881.db2.gz GGRNONDQFRAJRM-BZUAXINKSA-N 2 0 350.463 -0.955 20 30 FBEDRP C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330495070 849956972 /nfs/dbraw/zinc/95/69/72/849956972.db2.gz GGRNONDQFRAJRM-OAGGEKHMSA-N 2 0 350.463 -0.955 20 30 FBEDRP C=CCC1(O)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001334940254 850551351 /nfs/dbraw/zinc/55/13/51/850551351.db2.gz UMGWGWOWRKEDJR-UHFFFAOYSA-N 2 0 354.495 -0.132 20 30 FBEDRP C#CCC1(O)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001336318531 850730897 /nfs/dbraw/zinc/73/08/97/850730897.db2.gz GYMKIYANEFIRKR-UHFFFAOYSA-N 2 0 352.479 -0.685 20 30 FBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C#N)cs1 ZINC001342166302 851205679 /nfs/dbraw/zinc/20/56/79/851205679.db2.gz VZOJGQJVVMKEEV-UHFFFAOYSA-N 2 0 352.464 -0.417 20 30 FBEDRP C#CCSCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001349314866 851919591 /nfs/dbraw/zinc/91/95/91/851919591.db2.gz YJDTWVLAEBCTFV-HUUCEWRRSA-N 2 0 354.520 -0.333 20 30 FBEDRP