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484043122 /nfs/dbraw/zinc/04/31/22/484043122.db2.gz RFUDIDJRBUJIIX-UHFFFAOYSA-N 1 1 355.442 -0.024 20 30 FBEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000102669938 484199484 /nfs/dbraw/zinc/19/94/84/484199484.db2.gz AAFUPHSCUPMART-UHFFFAOYSA-N 1 1 352.479 -0.113 20 30 FBEDMO C[NH+]=C(NCCN1CCOCC1)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000104160763 657508452 /nfs/dbraw/zinc/50/84/52/657508452.db2.gz GCAIFVRHGVXMIT-QGZVFWFLSA-N 1 1 354.543 -0.244 20 30 FBEDMO C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000104160768 657508101 /nfs/dbraw/zinc/50/81/01/657508101.db2.gz GCAIFVRHGVXMIT-KRWDZBQOSA-N 1 1 354.543 -0.244 20 30 FBEDMO CC[NH+]1CCN(C[C@@H](C)CNC(NCCN2CCOCC2)=[NH+]C)CC1 ZINC000104174727 661624358 /nfs/dbraw/zinc/62/43/58/661624358.db2.gz XCCFSXFPHHPNMG-KRWDZBQOSA-N 1 1 354.543 -0.243 20 30 FBEDMO CC[NH+]1CCN(C[C@H](C)CNC(NCCN2CCOCC2)=[NH+]C)CC1 ZINC000104174730 661624406 /nfs/dbraw/zinc/62/44/06/661624406.db2.gz XCCFSXFPHHPNMG-QGZVFWFLSA-N 1 1 354.543 -0.243 20 30 FBEDMO CN(CCC#N)S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000105938843 485170762 /nfs/dbraw/zinc/17/07/62/485170762.db2.gz PDMRTULDXWZZCK-UHFFFAOYSA-N 1 1 367.479 -0.331 20 30 FBEDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000111264056 243150201 /nfs/dbraw/zinc/15/02/01/243150201.db2.gz WOSXHTUULUDQMJ-AWEZNQCLSA-N 1 1 374.445 -0.039 20 30 FBEDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000111264058 243150644 /nfs/dbraw/zinc/15/06/44/243150644.db2.gz WOSXHTUULUDQMJ-CQSZACIVSA-N 1 1 374.445 -0.039 20 30 FBEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(COC)CC2)c1=O ZINC000112331989 661326206 /nfs/dbraw/zinc/32/62/06/661326206.db2.gz UBIUBWHSPXLDDP-UHFFFAOYSA-N 1 1 350.419 -0.140 20 30 FBEDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000112556782 243153786 /nfs/dbraw/zinc/15/37/86/243153786.db2.gz KVLPVACQNMENEV-UHFFFAOYSA-N 1 1 371.445 -0.372 20 30 FBEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H](COC)C2)c1=O ZINC000112961860 661336389 /nfs/dbraw/zinc/33/63/89/661336389.db2.gz TUOLCCYKIXUYRT-CQSZACIVSA-N 1 1 350.419 -0.140 20 30 FBEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H](COC)C2)c1=O ZINC000112961860 661336387 /nfs/dbraw/zinc/33/63/87/661336387.db2.gz TUOLCCYKIXUYRT-CQSZACIVSA-N 1 1 350.419 -0.140 20 30 FBEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@H](COC)C2)c1=O ZINC000112961864 661336408 /nfs/dbraw/zinc/33/64/08/661336408.db2.gz TUOLCCYKIXUYRT-AWEZNQCLSA-N 1 1 350.419 -0.140 20 30 FBEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H](COC)C2)c1=O ZINC000112961864 661336405 /nfs/dbraw/zinc/33/64/05/661336405.db2.gz TUOLCCYKIXUYRT-AWEZNQCLSA-N 1 1 350.419 -0.140 20 30 FBEDMO C#CCN1CCN(C(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000121453874 661172139 /nfs/dbraw/zinc/17/21/39/661172139.db2.gz JFOQZLVOPYMSQD-UHFFFAOYSA-N 1 1 356.492 -0.880 20 30 FBEDMO C=CCNC(=O)CN1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000122238237 485251884 /nfs/dbraw/zinc/25/18/84/485251884.db2.gz RQFSPWWEVNHIQV-UHFFFAOYSA-N 1 1 373.505 -0.352 20 30 FBEDMO Cn1c(=O)c(C#N)c(N2CCCC[C@H](N3CC[NH+](C)CC3)C2)n(C)c1=O ZINC000127028611 243171243 /nfs/dbraw/zinc/17/12/43/243171243.db2.gz CESIQHCIYADEED-AWEZNQCLSA-N 1 1 360.462 -0.438 20 30 FBEDMO Cn1c(=O)c(C#N)c(N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n(C)c1=O ZINC000127028824 243173209 /nfs/dbraw/zinc/17/32/09/243173209.db2.gz CESIQHCIYADEED-CQSZACIVSA-N 1 1 360.462 -0.438 20 30 FBEDMO C#CCC[NH+]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000127404200 484004763 /nfs/dbraw/zinc/00/47/63/484004763.db2.gz XJRIUXCFPOBLGY-UHFFFAOYSA-N 1 1 361.446 -0.402 20 30 FBEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000131897738 484663010 /nfs/dbraw/zinc/66/30/10/484663010.db2.gz JABDACJYPUKPCO-HNNXBMFYSA-N 1 1 352.504 -0.293 20 30 FBEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000131897932 484663611 /nfs/dbraw/zinc/66/36/11/484663611.db2.gz JABDACJYPUKPCO-OAHLLOKOSA-N 1 1 352.504 -0.293 20 30 FBEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCCN1CCCC1=O ZINC000153262574 485187235 /nfs/dbraw/zinc/18/72/35/485187235.db2.gz DTUHKMXFGVTWRH-UHFFFAOYSA-N 1 1 361.450 -0.143 20 30 FBEDMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000155062844 484843415 /nfs/dbraw/zinc/84/34/15/484843415.db2.gz NHUROVIDBWXSCD-UHFFFAOYSA-N 1 1 362.434 -0.039 20 30 FBEDMO C#CCNC(=O)CN1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000155593180 657626122 /nfs/dbraw/zinc/62/61/22/657626122.db2.gz ZEGOTCLDOVUJPT-OAHLLOKOSA-N 1 1 352.504 -0.293 20 30 FBEDMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cn1 ZINC000162707468 484979285 /nfs/dbraw/zinc/97/92/85/484979285.db2.gz NDWATDLLUIEHES-UHFFFAOYSA-N 1 1 366.451 -0.560 20 30 FBEDMO C=CCCC[N@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000172396584 485077412 /nfs/dbraw/zinc/07/74/12/485077412.db2.gz DMZOMIILWQSFQD-UHFFFAOYSA-N 1 1 352.479 -0.113 20 30 FBEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cc1 ZINC000173177484 243212941 /nfs/dbraw/zinc/21/29/41/243212941.db2.gz HZVVRUSWNFDMEM-UHFFFAOYSA-N 1 1 367.413 -0.017 20 30 FBEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cc1 ZINC000173177484 243212932 /nfs/dbraw/zinc/21/29/32/243212932.db2.gz HZVVRUSWNFDMEM-UHFFFAOYSA-N 1 1 367.413 -0.017 20 30 FBEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000179039939 483451488 /nfs/dbraw/zinc/45/14/88/483451488.db2.gz MGOPWAWBACBNRU-HZPDHXFCSA-N 1 1 358.494 -0.390 20 30 FBEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000179039952 483450900 /nfs/dbraw/zinc/45/09/00/483450900.db2.gz MGOPWAWBACBNRU-CVEARBPZSA-N 1 1 358.494 -0.390 20 30 FBEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@H]1CCCN(c2ncccn2)C1 ZINC000179039963 483450733 /nfs/dbraw/zinc/45/07/33/483450733.db2.gz MGOPWAWBACBNRU-JKSUJKDBSA-N 1 1 358.494 -0.390 20 30 FBEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N[C@H]1CCCN(c2ncccn2)C1 ZINC000179039979 483450719 /nfs/dbraw/zinc/45/07/19/483450719.db2.gz MGOPWAWBACBNRU-HOTGVXAUSA-N 1 1 358.494 -0.390 20 30 FBEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+](CCO)CCO)CC1 ZINC000182750551 484270755 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-0.116 20 30 FBEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186512140 484523373 /nfs/dbraw/zinc/52/33/73/484523373.db2.gz MHAMANCSRKDOSB-KKUMJFAQSA-N 1 1 364.471 -0.116 20 30 FBEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186512140 484523367 /nfs/dbraw/zinc/52/33/67/484523367.db2.gz MHAMANCSRKDOSB-KKUMJFAQSA-N 1 1 364.471 -0.116 20 30 FBEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000187668726 483451740 /nfs/dbraw/zinc/45/17/40/483451740.db2.gz IXJXNKNMBTYTQV-SJORKVTESA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000187668726 483451736 /nfs/dbraw/zinc/45/17/36/483451736.db2.gz IXJXNKNMBTYTQV-SJORKVTESA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000187668745 483450725 /nfs/dbraw/zinc/45/07/25/483450725.db2.gz IXJXNKNMBTYTQV-IRXDYDNUSA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000187668745 483450715 /nfs/dbraw/zinc/45/07/15/483450715.db2.gz IXJXNKNMBTYTQV-IRXDYDNUSA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000189295671 484532246 /nfs/dbraw/zinc/53/22/46/484532246.db2.gz BEDGWVMDSDEYEY-IRXDYDNUSA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000189295692 484531856 /nfs/dbraw/zinc/53/18/56/484531856.db2.gz BEDGWVMDSDEYEY-DLBZAZTESA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000189336780 484015274 /nfs/dbraw/zinc/01/52/74/484015274.db2.gz BEDGWVMDSDEYEY-SJORKVTESA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000189336804 484014857 /nfs/dbraw/zinc/01/48/57/484014857.db2.gz BEDGWVMDSDEYEY-IAGOWNOFSA-N 1 1 351.495 -0.323 20 30 FBEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000248393825 484894436 /nfs/dbraw/zinc/89/44/36/484894436.db2.gz MHAMANCSRKDOSB-RRFJBIMHSA-N 1 1 364.471 -0.116 20 30 FBEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000248393825 484894431 /nfs/dbraw/zinc/89/44/31/484894431.db2.gz MHAMANCSRKDOSB-RRFJBIMHSA-N 1 1 364.471 -0.116 20 30 FBEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000249553561 484293592 /nfs/dbraw/zinc/29/35/92/484293592.db2.gz IXJXNKNMBTYTQV-DLBZAZTESA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000249553561 484293584 /nfs/dbraw/zinc/29/35/84/484293584.db2.gz IXJXNKNMBTYTQV-DLBZAZTESA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000249553562 484293925 /nfs/dbraw/zinc/29/39/25/484293925.db2.gz IXJXNKNMBTYTQV-IAGOWNOFSA-N 1 1 351.495 -0.323 20 30 FBEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000249553562 484293916 /nfs/dbraw/zinc/29/39/16/484293916.db2.gz IXJXNKNMBTYTQV-IAGOWNOFSA-N 1 1 351.495 -0.323 20 30 FBEDMO C[NH+]=C(NC[C@@H](C)N(C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261690084 484283791 /nfs/dbraw/zinc/28/37/91/484283791.db2.gz DZOIOYQCRKMWCY-CYBMUJFWSA-N 1 1 372.495 -0.353 20 30 FBEDMO C[NH+]=C(NC[C@H](C)N(C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261690090 484283842 /nfs/dbraw/zinc/28/38/42/484283842.db2.gz DZOIOYQCRKMWCY-ZDUSSCGKSA-N 1 1 372.495 -0.353 20 30 FBEDMO C[NH+]=C(NCCN1CCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261790564 658940944 /nfs/dbraw/zinc/94/09/44/658940944.db2.gz QGCDJXVZPZWELQ-KRWDZBQOSA-N 1 1 350.467 -0.032 20 30 FBEDMO C[NH+]=C(NCCN1CCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261790565 658940836 /nfs/dbraw/zinc/94/08/36/658940836.db2.gz QGCDJXVZPZWELQ-QGZVFWFLSA-N 1 1 350.467 -0.032 20 30 FBEDMO CC[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261842450 484285654 /nfs/dbraw/zinc/28/56/54/484285654.db2.gz WKEWAAIUYQPVPV-HNNXBMFYSA-N 1 1 374.493 -0.966 20 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C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000261905796 658961102 /nfs/dbraw/zinc/96/11/02/658961102.db2.gz XHBGUSXGGCEAFS-ARFHVFGLSA-N 1 1 350.511 -0.202 20 30 FBEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000261905799 658961193 /nfs/dbraw/zinc/96/11/93/658961193.db2.gz XHBGUSXGGCEAFS-BZUAXINKSA-N 1 1 350.511 -0.202 20 30 FBEDMO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261938909 657438061 /nfs/dbraw/zinc/43/80/61/657438061.db2.gz DCFJTMTZVVZBAL-KCQAQPDRSA-N 1 1 357.524 -0.084 20 30 FBEDMO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261938910 658972321 /nfs/dbraw/zinc/97/23/21/658972321.db2.gz DCFJTMTZVVZBAL-VNHYZAJKSA-N 1 1 357.524 -0.084 20 30 FBEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261944875 658973036 /nfs/dbraw/zinc/97/30/36/658973036.db2.gz NEQFUDCZUDILKG-HNNXBMFYSA-N 1 1 350.511 -0.107 20 30 FBEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261944877 658973095 /nfs/dbraw/zinc/97/30/95/658973095.db2.gz NEQFUDCZUDILKG-OAHLLOKOSA-N 1 1 350.511 -0.107 20 30 FBEDMO C[NH+]=C(NC[C@H](C)N1CCN(C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261945802 658973876 /nfs/dbraw/zinc/97/38/76/658973876.db2.gz FUKRSKJFOOWMRO-AWEZNQCLSA-N 1 1 359.540 -0.293 20 30 FBEDMO C[NH+]=C(NC[C@@H](C)N1CCN(C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261945805 657443287 /nfs/dbraw/zinc/44/32/87/657443287.db2.gz FUKRSKJFOOWMRO-CQSZACIVSA-N 1 1 359.540 -0.293 20 30 FBEDMO CCN1CCN(CCNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000261988155 658976745 /nfs/dbraw/zinc/97/67/45/658976745.db2.gz QPYHXSISCDZGCW-UHFFFAOYSA-N 1 1 359.540 -0.292 20 30 FBEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1=O ZINC000262005781 484937800 /nfs/dbraw/zinc/93/78/00/484937800.db2.gz QJBMJNCXBABGGP-CYBMUJFWSA-N 1 1 357.370 -0.469 20 30 FBEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1=O ZINC000262005782 484937213 /nfs/dbraw/zinc/93/72/13/484937213.db2.gz QJBMJNCXBABGGP-ZDUSSCGKSA-N 1 1 357.370 -0.469 20 30 FBEDMO CN(C)C(=O)CN/C(=[NH+]/CC(=O)N(C)C)N1CC[C@H](N2CC=CC2)C1 ZINC000262305570 659072574 /nfs/dbraw/zinc/07/25/74/659072574.db2.gz OOEHPBOUMLNZOO-AWEZNQCLSA-N 1 1 350.467 -0.946 20 30 FBEDMO CN(C)C(=O)CN/C(=[NH+]/CC(=O)N(C)C)N1CC[C@@H](N2CC=CC2)C1 ZINC000262305574 659072751 /nfs/dbraw/zinc/07/27/51/659072751.db2.gz OOEHPBOUMLNZOO-CQSZACIVSA-N 1 1 350.467 -0.946 20 30 FBEDMO C=CC[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000262318773 484293549 /nfs/dbraw/zinc/29/35/49/484293549.db2.gz RHFIXFUKBMBONQ-HNNXBMFYSA-N 1 1 364.494 -0.555 20 30 FBEDMO C=CC[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000262318774 484294670 /nfs/dbraw/zinc/29/46/70/484294670.db2.gz RHFIXFUKBMBONQ-OAHLLOKOSA-N 1 1 364.494 -0.555 20 30 FBEDMO CN(C)C(=O)CNC(NC[C@H]1CN2CCN1CC2)=[NH+]C1CCCCC1 ZINC000262337106 657699049 /nfs/dbraw/zinc/69/90/49/657699049.db2.gz WKMMNNUQKDUYCW-INIZCTEOSA-N 1 1 350.511 -0.058 20 30 FBEDMO CN(C)C(=O)CNC(NC[C@@H]1CN2CCN1CC2)=[NH+]C1CCCCC1 ZINC000262337109 657699215 /nfs/dbraw/zinc/69/92/15/657699215.db2.gz WKMMNNUQKDUYCW-MRXNPFEDSA-N 1 1 350.511 -0.058 20 30 FBEDMO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1CN2CCN1CC2 ZINC000262423607 659867570 /nfs/dbraw/zinc/86/75/70/659867570.db2.gz RGSGCNRUKNYFNX-GJZGRUSLSA-N 1 1 357.524 -0.636 20 30 FBEDMO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CN2CCN1CC2 ZINC000262423611 659867626 /nfs/dbraw/zinc/86/76/26/659867626.db2.gz RGSGCNRUKNYFNX-LSDHHAIUSA-N 1 1 357.524 -0.636 20 30 FBEDMO O=S1(=O)CC[C@H](CNC(NC[C@H]2CN3CCN2CC3)=[NH+]C2CC2)C1 ZINC000262436842 659868979 /nfs/dbraw/zinc/86/89/79/659868979.db2.gz TYZKOKWLOWGSBH-HIFRSBDPSA-N 1 1 355.508 -0.882 20 30 FBEDMO O=S1(=O)CC[C@H](CNC(NC[C@@H]2CN3CCN2CC3)=[NH+]C2CC2)C1 ZINC000262436847 659869097 /nfs/dbraw/zinc/86/90/97/659869097.db2.gz TYZKOKWLOWGSBH-UKRRQHHQSA-N 1 1 355.508 -0.882 20 30 FBEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262761974 484300708 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FBEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)NCC1(C(=O)N(C)C)CCCC1 ZINC000262814685 659905961 /nfs/dbraw/zinc/90/59/61/659905961.db2.gz WIBRYTAEWCMFHV-HNNXBMFYSA-N 1 1 350.511 -0.200 20 30 FBEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NCC1(C(=O)N(C)C)CCCC1 ZINC000262814686 659906140 /nfs/dbraw/zinc/90/61/40/659906140.db2.gz WIBRYTAEWCMFHV-OAHLLOKOSA-N 1 1 350.511 -0.200 20 30 FBEDMO CC[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(c2ncccn2)CC1 ZINC000262825338 484300994 /nfs/dbraw/zinc/30/09/94/484300994.db2.gz ZPLZSQKLCWXYDE-INIZCTEOSA-N 1 1 358.494 -0.436 20 30 FBEDMO CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCN(c2ncccn2)CC1 ZINC000262825339 484301183 /nfs/dbraw/zinc/30/11/83/484301183.db2.gz ZPLZSQKLCWXYDE-MRXNPFEDSA-N 1 1 358.494 -0.436 20 30 FBEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000263680416 243354500 /nfs/dbraw/zinc/35/45/00/243354500.db2.gz IBDXYBUUFJVCEC-CYBMUJFWSA-N 1 1 362.434 -0.690 20 30 FBEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000263680417 243354849 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353.444 -0.094 20 30 FBEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)CCOC)c1 ZINC000263810697 484959975 /nfs/dbraw/zinc/95/99/75/484959975.db2.gz WNIHDQGXWRJVEL-UHFFFAOYSA-N 1 1 353.444 -0.094 20 30 FBEDMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000264007232 536402973 /nfs/dbraw/zinc/40/29/73/536402973.db2.gz GOKQJLMHDUIJCS-UHFFFAOYSA-N 1 1 361.377 -0.084 20 30 FBEDMO COc1cc[nH+]c(N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000264060621 243374871 /nfs/dbraw/zinc/37/48/71/243374871.db2.gz DJASQJJDFARTOL-UHFFFAOYSA-N 1 1 356.386 -0.314 20 30 FBEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000264251614 484960381 /nfs/dbraw/zinc/96/03/81/484960381.db2.gz XMZYDXGREDPZRL-CYBMUJFWSA-N 1 1 353.467 -0.224 20 30 FBEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000264251615 484962147 /nfs/dbraw/zinc/96/21/47/484962147.db2.gz XMZYDXGREDPZRL-ZDUSSCGKSA-N 1 1 353.467 -0.224 20 30 FBEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[N@H+](CCOC)CC2)C1=O ZINC000264281684 484959659 /nfs/dbraw/zinc/95/96/59/484959659.db2.gz VAPUIFFTRZQGGP-UHFFFAOYSA-N 1 1 352.391 -0.856 20 30 FBEDMO C#CCCN1CCN(C(=O)COCC(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC000264376676 484961388 /nfs/dbraw/zinc/96/13/88/484961388.db2.gz IYEPJERBUTXZKI-UHFFFAOYSA-N 1 1 374.485 -0.662 20 30 FBEDMO N#C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000264439336 484317674 /nfs/dbraw/zinc/31/76/74/484317674.db2.gz ZFNHPGRBIOWZQC-HNNXBMFYSA-N 1 1 359.434 -0.077 20 30 FBEDMO N#C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000264439338 484316696 /nfs/dbraw/zinc/31/66/96/484316696.db2.gz ZFNHPGRBIOWZQC-OAHLLOKOSA-N 1 1 359.434 -0.077 20 30 FBEDMO Cn1c(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C#N)c(=O)n(C)c1=O ZINC000264503790 536359921 /nfs/dbraw/zinc/35/99/21/536359921.db2.gz IYVBDQXXGZWEMG-AWEZNQCLSA-N 1 1 360.462 -0.438 20 30 FBEDMO Cn1c(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C#N)c(=O)n(C)c1=O ZINC000264503791 483474854 /nfs/dbraw/zinc/47/48/54/483474854.db2.gz IYVBDQXXGZWEMG-CQSZACIVSA-N 1 1 360.462 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C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCS1(=O)=O ZINC000330264960 484320771 /nfs/dbraw/zinc/32/07/71/484320771.db2.gz YNWCQOAEKWBZGS-ZDUSSCGKSA-N 1 1 360.480 -0.427 20 30 FBEDMO C[C@H](C[NH+]=C([O-])N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)[NH+]1CCOCC1 ZINC000330317475 568235373 /nfs/dbraw/zinc/23/53/73/568235373.db2.gz BPCSZPICGZAUCG-CHWSQXEVSA-N 1 1 365.438 -0.351 20 30 FBEDMO C[C@H](C[NH+]=C([O-])N1CCC[C@H](n2cnc(C(N)=O)n2)C1)[NH+]1CCOCC1 ZINC000330317476 568235398 /nfs/dbraw/zinc/23/53/98/568235398.db2.gz BPCSZPICGZAUCG-OLZOCXBDSA-N 1 1 365.438 -0.351 20 30 FBEDMO C[N@H+]1CCO[C@H](C[NH+]=C([O-])N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318287 484368903 /nfs/dbraw/zinc/36/89/03/484368903.db2.gz CFRCKBMLACUJNI-NWDGAFQWSA-N 1 1 351.411 -0.742 20 30 FBEDMO C[N@@H+]1CCO[C@H](C[NH+]=C([O-])N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318287 484368896 /nfs/dbraw/zinc/36/88/96/484368896.db2.gz CFRCKBMLACUJNI-NWDGAFQWSA-N 1 1 351.411 -0.742 20 30 FBEDMO C[N@H+]1CCO[C@H](C[NH+]=C([O-])N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318292 484370092 /nfs/dbraw/zinc/37/00/92/484370092.db2.gz CFRCKBMLACUJNI-VXGBXAGGSA-N 1 1 351.411 -0.742 20 30 FBEDMO C[N@@H+]1CCO[C@H](C[NH+]=C([O-])N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318292 484370089 /nfs/dbraw/zinc/37/00/89/484370089.db2.gz CFRCKBMLACUJNI-VXGBXAGGSA-N 1 1 351.411 -0.742 20 30 FBEDMO CN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)nc1 ZINC000330331861 484395785 /nfs/dbraw/zinc/39/57/85/484395785.db2.gz OKRNILYJQRNZRF-GFCCVEGCSA-N 1 1 370.479 -0.096 20 30 FBEDMO CN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)nc1 ZINC000330331862 484395234 /nfs/dbraw/zinc/39/52/34/484395234.db2.gz OKRNILYJQRNZRF-LBPRGKRZSA-N 1 1 370.479 -0.096 20 30 FBEDMO C[C@H](C[NH+]1CCOCC1)[NH+]=C([O-])N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000330338752 484400733 /nfs/dbraw/zinc/40/07/33/484400733.db2.gz VUPDXDMVRNHVDD-CHWSQXEVSA-N 1 1 365.438 -0.351 20 30 FBEDMO 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/nfs/dbraw/zinc/91/44/11/483914411.db2.gz CATGKVNIHNOVKD-AWEZNQCLSA-N 1 1 362.496 -0.118 20 30 FBEDMO COCC[N@H+]1CC[C@@H](NC(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330416054 483914182 /nfs/dbraw/zinc/91/41/82/483914182.db2.gz CATGKVNIHNOVKD-CQSZACIVSA-N 1 1 362.496 -0.118 20 30 FBEDMO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000330416153 483914381 /nfs/dbraw/zinc/91/43/81/483914381.db2.gz DFJLKZWSUGHTSO-CYBMUJFWSA-N 1 1 370.450 -0.378 20 30 FBEDMO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000330416154 483914117 /nfs/dbraw/zinc/91/41/17/483914117.db2.gz DFJLKZWSUGHTSO-ZDUSSCGKSA-N 1 1 370.450 -0.378 20 30 FBEDMO CN(C)S(=O)(=O)c1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)co1 ZINC000330451398 483915119 /nfs/dbraw/zinc/91/51/19/483915119.db2.gz KEPBCDSLUUTWJL-UHFFFAOYSA-N 1 1 372.447 -0.001 20 30 FBEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000330452074 483915474 /nfs/dbraw/zinc/91/54/74/483915474.db2.gz ZFIDHAXLSCEHIH-UHFFFAOYSA-N 1 1 355.483 -0.189 20 30 FBEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000330456538 483915545 /nfs/dbraw/zinc/91/55/45/483915545.db2.gz POVNICWWXNWVCA-UHFFFAOYSA-N 1 1 351.407 -0.219 20 30 FBEDMO CC(=O)NC[C@@H]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330468047 483916555 /nfs/dbraw/zinc/91/65/55/483916555.db2.gz SYRAOCDFLYYWIR-HNNXBMFYSA-N 1 1 353.467 -0.087 20 30 FBEDMO CC(=O)NC[C@H]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330468053 483916790 /nfs/dbraw/zinc/91/67/90/483916790.db2.gz SYRAOCDFLYYWIR-OAHLLOKOSA-N 1 1 353.467 -0.087 20 30 FBEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 ZINC000330472019 483916499 /nfs/dbraw/zinc/91/64/99/483916499.db2.gz YDFLZLOGCXGZFI-CYBMUJFWSA-N 1 1 354.455 -0.141 20 30 FBEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H](CNC(N)=O)C2)CC1 ZINC000330472020 483916459 /nfs/dbraw/zinc/91/64/59/483916459.db2.gz YDFLZLOGCXGZFI-ZDUSSCGKSA-N 1 1 354.455 -0.141 20 30 FBEDMO CN(C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000330477453 483916448 /nfs/dbraw/zinc/91/64/48/483916448.db2.gz MNUZHHZVIDKDIE-UHFFFAOYSA-N 1 1 362.496 -0.022 20 30 FBEDMO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000330478726 483916573 /nfs/dbraw/zinc/91/65/73/483916573.db2.gz OISDVHLMUBCLGS-AWEZNQCLSA-N 1 1 362.496 -0.116 20 30 FBEDMO CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000330478727 483916750 /nfs/dbraw/zinc/91/67/50/483916750.db2.gz OISDVHLMUBCLGS-CQSZACIVSA-N 1 1 362.496 -0.116 20 30 FBEDMO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000330482171 483916611 /nfs/dbraw/zinc/91/66/11/483916611.db2.gz WMQPCMMZKYJFBN-UHFFFAOYSA-N 1 1 369.466 -0.709 20 30 FBEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCCN2CCOCC2(C)C)CC1 ZINC000330506473 483920872 /nfs/dbraw/zinc/92/08/72/483920872.db2.gz CZZUJXOBZJSKHV-UHFFFAOYSA-N 1 1 355.483 -0.189 20 30 FBEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000330534030 483924801 /nfs/dbraw/zinc/92/48/01/483924801.db2.gz OCTULMMEJHJPII-GFCCVEGCSA-N 1 1 351.407 -0.267 20 30 FBEDMO 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484208434 /nfs/dbraw/zinc/20/84/34/484208434.db2.gz SGGPSSXFBODNLQ-CQSZACIVSA-N 1 1 358.402 -0.102 20 30 FBEDMO N#CCNC(=O)CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000513334000 484208432 /nfs/dbraw/zinc/20/84/32/484208432.db2.gz SGGPSSXFBODNLQ-CQSZACIVSA-N 1 1 358.402 -0.102 20 30 FBEDMO C=CCNC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NCC=C)CC(C)C ZINC000514322325 483427415 /nfs/dbraw/zinc/42/74/15/483427415.db2.gz INLLJTBLEVWMML-UHFFFAOYSA-N 1 1 353.423 -0.032 20 30 FBEDMO C[C@]1(F)C[NH2+]CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000514605733 484598999 /nfs/dbraw/zinc/59/89/99/484598999.db2.gz UJZLMEJCCNSSAL-HNNXBMFYSA-N 1 1 354.407 -0.003 20 30 FBEDMO C[C@@]1(F)C[NH2+]CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000514605735 484598985 /nfs/dbraw/zinc/59/89/85/484598985.db2.gz UJZLMEJCCNSSAL-OAHLLOKOSA-N 1 1 354.407 -0.003 20 30 FBEDMO C[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000515929654 484619107 /nfs/dbraw/zinc/61/91/07/484619107.db2.gz XMUGIJRGMRVXOU-HNNXBMFYSA-N 1 1 352.416 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483767275 /nfs/dbraw/zinc/76/72/75/483767275.db2.gz FGEZNEUIWZPBGT-UHFFFAOYSA-N 1 1 356.386 -0.650 20 30 FBEDMO Cn1c2nc(C(=O)NC3(C#N)CC[NH+](C)CC3)ccc2c(=O)n(C)c1=O ZINC000518533662 483785275 /nfs/dbraw/zinc/78/52/75/483785275.db2.gz LYIDUIXUOULSEI-UHFFFAOYSA-N 1 1 356.386 -0.650 20 30 FBEDMO COCCN(CCC#N)S(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000519111143 484145421 /nfs/dbraw/zinc/14/54/21/484145421.db2.gz UVVUOKHUXUROHW-UHFFFAOYSA-N 1 1 361.512 -0.290 20 30 FBEDMO CC(C)NS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000519765192 484661203 /nfs/dbraw/zinc/66/12/03/484661203.db2.gz KHTKMIXXVGJLSZ-UHFFFAOYSA-N 1 1 360.461 -0.356 20 30 FBEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 ZINC000520611936 484257218 /nfs/dbraw/zinc/25/72/18/484257218.db2.gz WGFRFRWPPFFNEA-GFCCVEGCSA-N 1 1 372.472 -0.282 20 30 FBEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 ZINC000520611937 484259027 /nfs/dbraw/zinc/25/90/27/484259027.db2.gz WGFRFRWPPFFNEA-LBPRGKRZSA-N 1 1 372.472 -0.282 20 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484145178 /nfs/dbraw/zinc/14/51/78/484145178.db2.gz KNEZZFXIZODOJL-UKRRQHHQSA-N 1 1 368.459 -0.197 20 30 FBEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000528378679 484772742 /nfs/dbraw/zinc/77/27/42/484772742.db2.gz KNEZZFXIZODOJL-ZFWWWQNUSA-N 1 1 368.459 -0.197 20 30 FBEDMO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000528537675 484475020 /nfs/dbraw/zinc/47/50/20/484475020.db2.gz OLBZPYVMWMVYMJ-AWEZNQCLSA-N 1 1 358.464 -0.358 20 30 FBEDMO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000528537679 484475054 /nfs/dbraw/zinc/47/50/54/484475054.db2.gz OLBZPYVMWMVYMJ-CQSZACIVSA-N 1 1 358.464 -0.358 20 30 FBEDMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000528729389 484776640 /nfs/dbraw/zinc/77/66/40/484776640.db2.gz PKFWGBAFCMRIQM-KRWDZBQOSA-N 1 1 374.441 -0.032 20 30 FBEDMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000528729391 484776809 /nfs/dbraw/zinc/77/68/09/484776809.db2.gz PKFWGBAFCMRIQM-QGZVFWFLSA-N 1 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484438905 /nfs/dbraw/zinc/43/89/05/484438905.db2.gz UKOYQJJOQVJZAY-MLGOLLRUSA-N 1 1 366.443 -0.592 20 30 FBEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545154593 484444713 /nfs/dbraw/zinc/44/47/13/484444713.db2.gz UKOYQJJOQVJZAY-WBMJQRKESA-N 1 1 366.443 -0.592 20 30 FBEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000545296381 484473499 /nfs/dbraw/zinc/47/34/99/484473499.db2.gz MNINVFUDRKPAOE-UHFFFAOYSA-N 1 1 373.413 -0.214 20 30 FBEDMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000545862378 484534380 /nfs/dbraw/zinc/53/43/80/484534380.db2.gz QIPDDZGSVKGAOE-INIZCTEOSA-N 1 1 366.443 -0.638 20 30 FBEDMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000545862379 484534604 /nfs/dbraw/zinc/53/46/04/484534604.db2.gz QIPDDZGSVKGAOE-MRXNPFEDSA-N 1 1 366.443 -0.638 20 30 FBEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545862881 484534301 /nfs/dbraw/zinc/53/43/01/484534301.db2.gz 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UAXZQFVXDJYTAX-TZMCWYRMSA-N 1 1 357.480 -0.121 20 30 FBEDMO C=C(CNC(=O)[C@@H]1CN(CC)CCO1)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000620747950 484612033 /nfs/dbraw/zinc/61/20/33/484612033.db2.gz JVMCKCWFJXPUOK-HOTGVXAUSA-N 1 1 368.478 -0.784 20 30 FBEDMO C=C(CNC(=O)[C@@H]1CN(CC)CCO1)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000620747950 484612026 /nfs/dbraw/zinc/61/20/26/484612026.db2.gz JVMCKCWFJXPUOK-HOTGVXAUSA-N 1 1 368.478 -0.784 20 30 FBEDMO C=C(CNC(=O)[C@H]1CN(CC)CCO1)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000620747951 484611302 /nfs/dbraw/zinc/61/13/02/484611302.db2.gz JVMCKCWFJXPUOK-HZPDHXFCSA-N 1 1 368.478 -0.784 20 30 FBEDMO C=C(CNC(=O)[C@H]1CN(CC)CCO1)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000620747951 484611299 /nfs/dbraw/zinc/61/12/99/484611299.db2.gz JVMCKCWFJXPUOK-HZPDHXFCSA-N 1 1 368.478 -0.784 20 30 FBEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)C1=O ZINC000623211006 484099412 /nfs/dbraw/zinc/09/94/12/484099412.db2.gz DXVDYKYAWDVSOT-UHFFFAOYSA-N 1 1 365.434 -0.893 20 30 FBEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[N@H+]2CCCN(C)CC2)C1=O ZINC000623211006 484099405 /nfs/dbraw/zinc/09/94/05/484099405.db2.gz DXVDYKYAWDVSOT-UHFFFAOYSA-N 1 1 365.434 -0.893 20 30 FBEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCC[N@H+](C)CC2)C1=O ZINC000623211006 484099402 /nfs/dbraw/zinc/09/94/02/484099402.db2.gz DXVDYKYAWDVSOT-UHFFFAOYSA-N 1 1 365.434 -0.893 20 30 FBEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+](CCO)CCN1CCOCC1 ZINC000625215002 483482015 /nfs/dbraw/zinc/48/20/15/483482015.db2.gz YDYURONAZZFFHS-UHFFFAOYSA-N 1 1 371.437 -0.088 20 30 FBEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+](CCO)CCN1CCOCC1 ZINC000625215002 483482012 /nfs/dbraw/zinc/48/20/12/483482012.db2.gz YDYURONAZZFFHS-UHFFFAOYSA-N 1 1 371.437 -0.088 20 30 FBEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000627434746 484903806 /nfs/dbraw/zinc/90/38/06/484903806.db2.gz REWCHWXQXIXXDO-UHFFFAOYSA-N 1 1 372.491 -0.849 20 30 FBEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000629180057 484092798 /nfs/dbraw/zinc/09/27/98/484092798.db2.gz YWLVYOQLDIWJCQ-CQSZACIVSA-N 1 1 353.444 -0.053 20 30 FBEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000629910378 484473380 /nfs/dbraw/zinc/47/33/80/484473380.db2.gz KDYIDDALERUSTH-AWEZNQCLSA-N 1 1 353.444 -0.053 20 30 FBEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000629911468 484473957 /nfs/dbraw/zinc/47/39/57/484473957.db2.gz YWLVYOQLDIWJCQ-AWEZNQCLSA-N 1 1 353.444 -0.053 20 30 FBEDMO C=CC[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000631909095 485030960 /nfs/dbraw/zinc/03/09/60/485030960.db2.gz QBZMBTXEGMMYIZ-CYBMUJFWSA-N 1 1 365.521 -0.162 20 30 FBEDMO C=CC[NH+]1CCC(NS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000631909096 485030486 /nfs/dbraw/zinc/03/04/86/485030486.db2.gz QBZMBTXEGMMYIZ-ZDUSSCGKSA-N 1 1 365.521 -0.162 20 30 FBEDMO C=CCNC(=O)CN1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638055568 483687842 /nfs/dbraw/zinc/68/78/42/483687842.db2.gz GQHNQPHGLXBVMQ-GOSISDBHSA-N 1 1 373.501 -0.108 20 30 FBEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638055583 483688370 /nfs/dbraw/zinc/68/83/70/483688370.db2.gz GQHNQPHGLXBVMQ-SFHVURJKSA-N 1 1 373.501 -0.108 20 30 FBEDMO CN(CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640062784 484602290 /nfs/dbraw/zinc/60/22/90/484602290.db2.gz PMKXMJJTKUPHJP-UHFFFAOYSA-N 1 1 368.437 -0.008 20 30 FBEDMO CC#CCNCc1cn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000640876347 484671469 /nfs/dbraw/zinc/67/14/69/484671469.db2.gz IJOFGXKHHPOHDK-KRWDZBQOSA-N 1 1 362.478 -0.136 20 30 FBEDMO CC#CCNCc1cn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000640876348 484671400 /nfs/dbraw/zinc/67/14/00/484671400.db2.gz IJOFGXKHHPOHDK-QGZVFWFLSA-N 1 1 362.478 -0.136 20 30 FBEDMO C=CCNC(=O)CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641817307 485028229 /nfs/dbraw/zinc/02/82/29/485028229.db2.gz QWGTTZWTXSSEEO-HNNXBMFYSA-N 1 1 353.467 -0.616 20 30 FBEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641817313 485028808 /nfs/dbraw/zinc/02/88/08/485028808.db2.gz QWGTTZWTXSSEEO-OAHLLOKOSA-N 1 1 353.467 -0.616 20 30 FBEDMO C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1 ZINC000644941198 484122176 /nfs/dbraw/zinc/12/21/76/484122176.db2.gz NOTCBALYNBNXNQ-HNNXBMFYSA-N 1 1 363.466 -0.330 20 30 FBEDMO C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1 ZINC000644941199 484122345 /nfs/dbraw/zinc/12/23/45/484122345.db2.gz NOTCBALYNBNXNQ-OAHLLOKOSA-N 1 1 363.466 -0.330 20 30 FBEDMO C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000645037355 484149173 /nfs/dbraw/zinc/14/91/73/484149173.db2.gz XCXDZZLCYDKMIP-HNNXBMFYSA-N 1 1 361.450 -0.088 20 30 FBEDMO C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000645037357 484149137 /nfs/dbraw/zinc/14/91/37/484149137.db2.gz XCXDZZLCYDKMIP-OAHLLOKOSA-N 1 1 361.450 -0.088 20 30 FBEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645066591 484168398 /nfs/dbraw/zinc/16/83/98/484168398.db2.gz NMRBUHMIEKWTTJ-UXLLHSPISA-N 1 1 364.490 -0.022 20 30 FBEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645066591 484168395 /nfs/dbraw/zinc/16/83/95/484168395.db2.gz NMRBUHMIEKWTTJ-UXLLHSPISA-N 1 1 364.490 -0.022 20 30 FBEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645066592 484168205 /nfs/dbraw/zinc/16/82/05/484168205.db2.gz NMRBUHMIEKWTTJ-ZOBUZTSGSA-N 1 1 364.490 -0.022 20 30 FBEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645066592 484168201 /nfs/dbraw/zinc/16/82/01/484168201.db2.gz NMRBUHMIEKWTTJ-ZOBUZTSGSA-N 1 1 364.490 -0.022 20 30 FBEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000645072999 484178340 /nfs/dbraw/zinc/17/83/40/484178340.db2.gz ZBFSSOQXDLLIQN-BBWFWOEESA-N 1 1 364.490 -0.068 20 30 FBEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000645073000 484178792 /nfs/dbraw/zinc/17/87/92/484178792.db2.gz ZBFSSOQXDLLIQN-ULQDDVLXSA-N 1 1 364.490 -0.068 20 30 FBEDMO 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ZINC001061678966 837706715 /nfs/dbraw/zinc/70/67/15/837706715.db2.gz KCXOCKCHBOXPBS-QLFBSQMISA-N 1 1 355.435 -0.748 20 30 FBEDMO C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001061678966 837706702 /nfs/dbraw/zinc/70/67/02/837706702.db2.gz KCXOCKCHBOXPBS-QLFBSQMISA-N 1 1 355.435 -0.748 20 30 FBEDMO C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001061678967 837708022 /nfs/dbraw/zinc/70/80/22/837708022.db2.gz KCXOCKCHBOXPBS-RBSFLKMASA-N 1 1 355.435 -0.748 20 30 FBEDMO C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001061678967 837708012 /nfs/dbraw/zinc/70/80/12/837708012.db2.gz KCXOCKCHBOXPBS-RBSFLKMASA-N 1 1 355.435 -0.748 20 30 FBEDMO C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001061679162 837708079 /nfs/dbraw/zinc/70/80/79/837708079.db2.gz OCCRVQLOTHBXOO-BZUAXINKSA-N 1 1 351.447 -0.147 20 30 FBEDMO C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001061679162 837708070 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MPDDUARKEDIFOJ-OWCLPIDISA-N 1 1 351.447 -0.147 20 30 FBEDMO CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001065125873 837866059 /nfs/dbraw/zinc/86/60/59/837866059.db2.gz FZNPJJKFJQTDFW-BZUAXINKSA-N 1 1 351.447 -0.292 20 30 FBEDMO CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001065125873 837866051 /nfs/dbraw/zinc/86/60/51/837866051.db2.gz FZNPJJKFJQTDFW-BZUAXINKSA-N 1 1 351.447 -0.292 20 30 FBEDMO CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001065125874 837866366 /nfs/dbraw/zinc/86/63/66/837866366.db2.gz FZNPJJKFJQTDFW-OWCLPIDISA-N 1 1 351.447 -0.292 20 30 FBEDMO CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001065125874 837866353 /nfs/dbraw/zinc/86/63/53/837866353.db2.gz FZNPJJKFJQTDFW-OWCLPIDISA-N 1 1 351.447 -0.292 20 30 FBEDMO C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065153579 837866903 /nfs/dbraw/zinc/86/69/03/837866903.db2.gz YWIHRZXBMULRAH-BZUAXINKSA-N 1 1 351.447 -0.290 20 30 FBEDMO C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065153580 837866870 /nfs/dbraw/zinc/86/68/70/837866870.db2.gz YWIHRZXBMULRAH-OWCLPIDISA-N 1 1 351.447 -0.290 20 30 FBEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CSCC#N)C2)CC[N@H+]1C ZINC001065205542 839052905 /nfs/dbraw/zinc/05/29/05/839052905.db2.gz FFQIUYIFGVZSDT-HZSPNIEDSA-N 1 1 354.476 -0.073 20 30 FBEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CSCC#N)C2)CC[N@H+]1C ZINC001065205544 839053169 /nfs/dbraw/zinc/05/31/69/839053169.db2.gz FFQIUYIFGVZSDT-MGPQQGTHSA-N 1 1 354.476 -0.073 20 30 FBEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065205692 839058740 /nfs/dbraw/zinc/05/87/40/839058740.db2.gz GMLHGGIQPSJEJF-BZUAXINKSA-N 1 1 351.447 -0.290 20 30 FBEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065205694 839058600 /nfs/dbraw/zinc/05/86/00/839058600.db2.gz GMLHGGIQPSJEJF-OWCLPIDISA-N 1 1 351.447 -0.290 20 30 FBEDMO CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001065297164 839154953 /nfs/dbraw/zinc/15/49/53/839154953.db2.gz HMBZZCJNDSMCMB-BZUAXINKSA-N 1 1 351.447 -0.292 20 30 FBEDMO CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001065297164 839154947 /nfs/dbraw/zinc/15/49/47/839154947.db2.gz HMBZZCJNDSMCMB-BZUAXINKSA-N 1 1 351.447 -0.292 20 30 FBEDMO CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001065297165 839154770 /nfs/dbraw/zinc/15/47/70/839154770.db2.gz HMBZZCJNDSMCMB-OWCLPIDISA-N 1 1 351.447 -0.292 20 30 FBEDMO CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001065297165 839154765 /nfs/dbraw/zinc/15/47/65/839154765.db2.gz HMBZZCJNDSMCMB-OWCLPIDISA-N 1 1 351.447 -0.292 20 30 FBEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001065297586 839155149 /nfs/dbraw/zinc/15/51/49/839155149.db2.gz KOZJCMHVPMYEAR-QLFBSQMISA-N 1 1 355.435 -0.748 20 30 FBEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001065297586 839155142 /nfs/dbraw/zinc/15/51/42/839155142.db2.gz KOZJCMHVPMYEAR-QLFBSQMISA-N 1 1 355.435 -0.748 20 30 FBEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001065297588 839155341 /nfs/dbraw/zinc/15/53/41/839155341.db2.gz KOZJCMHVPMYEAR-RBSFLKMASA-N 1 1 355.435 -0.748 20 30 FBEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001065297588 839155334 /nfs/dbraw/zinc/15/53/34/839155334.db2.gz KOZJCMHVPMYEAR-RBSFLKMASA-N 1 1 355.435 -0.748 20 30 FBEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](CNC(=O)CSCC#N)C2)O1 ZINC001065297752 839155265 /nfs/dbraw/zinc/15/52/65/839155265.db2.gz LWTFSECWYNKABJ-HZSPNIEDSA-N 1 1 370.475 -0.694 20 30 FBEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](CNC(=O)CSCC#N)C2)O1 ZINC001065297752 839155259 /nfs/dbraw/zinc/15/52/59/839155259.db2.gz LWTFSECWYNKABJ-HZSPNIEDSA-N 1 1 370.475 -0.694 20 30 FBEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](CNC(=O)CSCC#N)C2)O1 ZINC001065297754 839155099 /nfs/dbraw/zinc/15/50/99/839155099.db2.gz LWTFSECWYNKABJ-MGPQQGTHSA-N 1 1 370.475 -0.694 20 30 FBEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](CNC(=O)CSCC#N)C2)O1 ZINC001065297754 839155090 /nfs/dbraw/zinc/15/50/90/839155090.db2.gz LWTFSECWYNKABJ-MGPQQGTHSA-N 1 1 370.475 -0.694 20 30 FBEDMO C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001065298659 839156231 /nfs/dbraw/zinc/15/62/31/839156231.db2.gz VBBFQICPKNNLPS-BZUAXINKSA-N 1 1 351.447 -0.147 20 30 FBEDMO C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001065298659 839156228 /nfs/dbraw/zinc/15/62/28/839156228.db2.gz VBBFQICPKNNLPS-BZUAXINKSA-N 1 1 351.447 -0.147 20 30 FBEDMO C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001065298660 839156087 /nfs/dbraw/zinc/15/60/87/839156087.db2.gz VBBFQICPKNNLPS-OWCLPIDISA-N 1 1 351.447 -0.147 20 30 FBEDMO C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001065298660 839156082 /nfs/dbraw/zinc/15/60/82/839156082.db2.gz VBBFQICPKNNLPS-OWCLPIDISA-N 1 1 351.447 -0.147 20 30 FBEDMO C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067240137 842113381 /nfs/dbraw/zinc/11/33/81/842113381.db2.gz WPBZCDWFQDBMJE-HUUCEWRRSA-N 1 1 350.463 -0.227 20 30 FBEDMO C=CCOCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068356725 842173464 /nfs/dbraw/zinc/17/34/64/842173464.db2.gz FYWHAUSIANDZMK-HUUCEWRRSA-N 1 1 351.447 -0.031 20 30 FBEDMO C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401474 842174833 /nfs/dbraw/zinc/17/48/33/842174833.db2.gz JCOMILLHROTJBF-HUUCEWRRSA-N 1 1 351.447 -0.031 20 30 FBEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905886 842201896 /nfs/dbraw/zinc/20/18/96/842201896.db2.gz VHBBJQYZPSUKJC-HZSPNIEDSA-N 1 1 354.842 -0.297 20 30 FBEDMO 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C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](n2ccnn2)C1 ZINC001070050515 842230164 /nfs/dbraw/zinc/23/01/64/842230164.db2.gz FEFITBHGHMPUBU-RDBSUJKOSA-N 1 1 368.463 -0.770 20 30 FBEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001070092728 842239061 /nfs/dbraw/zinc/23/90/61/842239061.db2.gz PHABPJLGUQAHDB-KGLIPLIRSA-N 1 1 360.443 -0.125 20 30 FBEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098480 842238758 /nfs/dbraw/zinc/23/87/58/842238758.db2.gz BIVUQCIOCPZMDQ-MCIONIFRSA-N 1 1 368.463 -0.723 20 30 FBEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098481 842239281 /nfs/dbraw/zinc/23/92/81/842239281.db2.gz BIVUQCIOCPZMDQ-MJBXVCDLSA-N 1 1 368.463 -0.723 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070137657 842249471 /nfs/dbraw/zinc/24/94/71/842249471.db2.gz SUWGQDDJQQTKJE-OLZOCXBDSA-N 1 1 352.826 -0.006 20 30 FBEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCOCC1 ZINC001070156330 842255596 /nfs/dbraw/zinc/25/55/96/842255596.db2.gz BEPUKLNLTMZUPS-BFHYXJOUSA-N 1 1 352.435 -0.353 20 30 FBEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCOCC1 ZINC001070156330 842255585 /nfs/dbraw/zinc/25/55/85/842255585.db2.gz BEPUKLNLTMZUPS-BFHYXJOUSA-N 1 1 352.435 -0.353 20 30 FBEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCOCC1 ZINC001070156331 842256041 /nfs/dbraw/zinc/25/60/41/842256041.db2.gz BEPUKLNLTMZUPS-MGPQQGTHSA-N 1 1 352.435 -0.353 20 30 FBEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCOCC1 ZINC001070156331 842256032 /nfs/dbraw/zinc/25/60/32/842256032.db2.gz BEPUKLNLTMZUPS-MGPQQGTHSA-N 1 1 352.435 -0.353 20 30 FBEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070162168 842257479 /nfs/dbraw/zinc/25/74/79/842257479.db2.gz VDESROAMXGCZQZ-ZJUUUORDSA-N 1 1 357.212 -0.596 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165791 842256709 /nfs/dbraw/zinc/25/67/09/842256709.db2.gz WYZLUUCEVAWGFS-HZSPNIEDSA-N 1 1 354.842 -0.297 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165892 842257498 /nfs/dbraw/zinc/25/74/98/842257498.db2.gz WYZLUUCEVAWGFS-RDBSUJKOSA-N 1 1 354.842 -0.297 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070175661 842258297 /nfs/dbraw/zinc/25/82/97/842258297.db2.gz RFPUQVFAZUGQCA-UPJWGTAASA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070175662 842258802 /nfs/dbraw/zinc/25/88/02/842258802.db2.gz RFPUQVFAZUGQCA-XQQFMLRXSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070178804 842258261 /nfs/dbraw/zinc/25/82/61/842258261.db2.gz KKQCKWXZVNSWDG-KGLIPLIRSA-N 1 1 354.842 -0.296 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1n1ccnn1 ZINC001070180758 842257892 /nfs/dbraw/zinc/25/78/92/842257892.db2.gz DCIRLPWKVHYOHG-MNOVXSKESA-N 1 1 352.786 -0.631 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@@H]1n1ccnn1 ZINC001070180877 842258399 /nfs/dbraw/zinc/25/83/99/842258399.db2.gz KIJAFWRRNKZMCT-HZSPNIEDSA-N 1 1 354.842 -0.297 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@@H]1n1ccnn1 ZINC001070180878 842257997 /nfs/dbraw/zinc/25/79/97/842257997.db2.gz KIJAFWRRNKZMCT-RDBSUJKOSA-N 1 1 354.842 -0.297 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1 ZINC001070184032 842258437 /nfs/dbraw/zinc/25/84/37/842258437.db2.gz GMIWCATYKHQTIE-MNOVXSKESA-N 1 1 352.782 -0.022 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1n1ccnn1 ZINC001070184530 842258553 /nfs/dbraw/zinc/25/85/53/842258553.db2.gz ZQFFIMAWYRPFCB-KGLIPLIRSA-N 1 1 352.826 -0.150 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070201744 842262502 /nfs/dbraw/zinc/26/25/02/842262502.db2.gz ZAJMHIONWBKRFF-NEPJUHHUSA-N 1 1 359.839 -0.583 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001070204558 842262584 /nfs/dbraw/zinc/26/25/84/842262584.db2.gz DWFJLFBFJICVIK-UPJWGTAASA-N 1 1 352.826 -0.150 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001070204559 842262785 /nfs/dbraw/zinc/26/27/85/842262785.db2.gz DWFJLFBFJICVIK-XQQFMLRXSA-N 1 1 352.826 -0.150 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1n1ccnn1 ZINC001070208960 842264146 /nfs/dbraw/zinc/26/41/46/842264146.db2.gz GKPLQSVGHVOLBC-OLZOCXBDSA-N 1 1 368.825 -0.769 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070209071 842264201 /nfs/dbraw/zinc/26/42/01/842264201.db2.gz LDAYUQNSMVKQNK-UPJWGTAASA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070209072 842263483 /nfs/dbraw/zinc/26/34/83/842263483.db2.gz LDAYUQNSMVKQNK-XQQFMLRXSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1n1ccnn1 ZINC001070212340 842263569 /nfs/dbraw/zinc/26/35/69/842263569.db2.gz DZGBPHVOBCULGT-OLZOCXBDSA-N 1 1 363.809 -0.220 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001070213704 842265611 /nfs/dbraw/zinc/26/56/11/842265611.db2.gz TZGHAWATPGCCHJ-UPJWGTAASA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001070213705 842265494 /nfs/dbraw/zinc/26/54/94/842265494.db2.gz TZGHAWATPGCCHJ-XQQFMLRXSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001070220052 842266606 /nfs/dbraw/zinc/26/66/06/842266606.db2.gz ZKFZJEKSVPQUHE-TUAOUCFPSA-N 1 1 361.855 -0.195 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001070220053 842266647 /nfs/dbraw/zinc/26/66/47/842266647.db2.gz ZKFZJEKSVPQUHE-UTUOFQBUSA-N 1 1 361.855 -0.195 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001070224305 842266862 /nfs/dbraw/zinc/26/68/62/842266862.db2.gz YPASXKAUMMIJTM-UPJWGTAASA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001070224306 842265949 /nfs/dbraw/zinc/26/59/49/842265949.db2.gz YPASXKAUMMIJTM-XQQFMLRXSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001070224573 842266040 /nfs/dbraw/zinc/26/60/40/842266040.db2.gz NDORXSIJLAOGGB-MNOVXSKESA-N 1 1 367.211 -0.040 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001070226214 842267303 /nfs/dbraw/zinc/26/73/03/842267303.db2.gz VFSGGXMXDXSSLF-OLZOCXBDSA-N 1 1 367.841 -0.213 20 30 FBEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCOCC1 ZINC001070233728 842268936 /nfs/dbraw/zinc/26/89/36/842268936.db2.gz CUTDJSSTKKGBSA-BFHYXJOUSA-N 1 1 352.435 -0.353 20 30 FBEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCOCC1 ZINC001070233728 842268926 /nfs/dbraw/zinc/26/89/26/842268926.db2.gz CUTDJSSTKKGBSA-BFHYXJOUSA-N 1 1 352.435 -0.353 20 30 FBEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCOCC1 ZINC001070233729 842268676 /nfs/dbraw/zinc/26/86/76/842268676.db2.gz CUTDJSSTKKGBSA-MGPQQGTHSA-N 1 1 352.435 -0.353 20 30 FBEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCOCC1 ZINC001070233729 842268666 /nfs/dbraw/zinc/26/86/66/842268666.db2.gz CUTDJSSTKKGBSA-MGPQQGTHSA-N 1 1 352.435 -0.353 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1n1ccnn1 ZINC001070237946 842268471 /nfs/dbraw/zinc/26/84/71/842268471.db2.gz VAZUWDTXIHPLGN-YPMHNXCESA-N 1 1 363.809 -0.220 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070242653 842270154 /nfs/dbraw/zinc/27/01/54/842270154.db2.gz LCMPSGLFCCUSAN-TYNCELHUSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070242654 842270080 /nfs/dbraw/zinc/27/00/80/842270080.db2.gz LCMPSGLFCCUSAN-XUJVJEKNSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001070250139 842271574 /nfs/dbraw/zinc/27/15/74/842271574.db2.gz HXYUTKVJPLPYNC-AGIUHOORSA-N 1 1 352.826 -0.007 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@@H]1n1ccnn1 ZINC001070252167 842270885 /nfs/dbraw/zinc/27/08/85/842270885.db2.gz RZMQSSNDASOQAW-UTUOFQBUSA-N 1 1 353.814 -0.604 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@@H]1n1ccnn1 ZINC001070252168 842271732 /nfs/dbraw/zinc/27/17/32/842271732.db2.gz RZMQSSNDASOQAW-WOPDTQHZSA-N 1 1 353.814 -0.604 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070254850 842272356 /nfs/dbraw/zinc/27/23/56/842272356.db2.gz AFCHSPHHOPYGRQ-UPJWGTAASA-N 1 1 352.826 -0.150 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001070254851 842272527 /nfs/dbraw/zinc/27/25/27/842272527.db2.gz AFCHSPHHOPYGRQ-XQQFMLRXSA-N 1 1 352.826 -0.150 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001070258169 842274608 /nfs/dbraw/zinc/27/46/08/842274608.db2.gz HXYUTKVJPLPYNC-UPJWGTAASA-N 1 1 352.826 -0.007 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070272676 842278310 /nfs/dbraw/zinc/27/83/10/842278310.db2.gz YVUZLTXSCGHKRY-TYNCELHUSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070272677 842278333 /nfs/dbraw/zinc/27/83/33/842278333.db2.gz YVUZLTXSCGHKRY-XUJVJEKNSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070274170 842277997 /nfs/dbraw/zinc/27/79/97/842277997.db2.gz VUFSMJVLTZBULA-MROQNXINSA-N 1 1 368.825 -0.595 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070295125 842281609 /nfs/dbraw/zinc/28/16/09/842281609.db2.gz NKWDMPMKIQDRCL-NEPJUHHUSA-N 1 1 366.809 -0.575 20 30 FBEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 ZINC001070297567 842281885 /nfs/dbraw/zinc/28/18/85/842281885.db2.gz FDUGYDFEDBYRDZ-ZJUUUORDSA-N 1 1 367.211 -0.040 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1n1ccnn1 ZINC001070301111 842282119 /nfs/dbraw/zinc/28/21/19/842282119.db2.gz KYIUJQUOKKBKIE-NEPJUHHUSA-N 1 1 351.802 -0.551 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1n1ccnn1 ZINC001070322105 842285373 /nfs/dbraw/zinc/28/53/73/842285373.db2.gz OKQJUMKBZJLHMH-OLZOCXBDSA-N 1 1 363.809 -0.220 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1n1ccnn1 ZINC001070322949 842285430 /nfs/dbraw/zinc/28/54/30/842285430.db2.gz BFEOGQRNKOZSGA-NEPJUHHUSA-N 1 1 366.809 -0.479 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1n1ccnn1 ZINC001070334681 842286735 /nfs/dbraw/zinc/28/67/35/842286735.db2.gz KWRDKPZMFUIXHY-NEPJUHHUSA-N 1 1 365.825 -0.277 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@@H]1n1ccnn1 ZINC001070337576 842287671 /nfs/dbraw/zinc/28/76/71/842287671.db2.gz DYRPSOWQQTZZJU-AGIUHOORSA-N 1 1 367.841 -0.085 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070342539 842288190 /nfs/dbraw/zinc/28/81/90/842288190.db2.gz JSQLEISCDOPLDB-TUAOUCFPSA-N 1 1 366.809 -0.575 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@@H]1n1ccnn1 ZINC001070342540 842288208 /nfs/dbraw/zinc/28/82/08/842288208.db2.gz JSQLEISCDOPLDB-UTUOFQBUSA-N 1 1 366.809 -0.575 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cn(C)cn1 ZINC001070465920 842294324 /nfs/dbraw/zinc/29/43/24/842294324.db2.gz JXYBHIKUFPRPKN-WCQYABFASA-N 1 1 350.814 -0.257 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cn(C)cn1 ZINC001070493320 842294943 /nfs/dbraw/zinc/29/49/43/842294943.db2.gz VACWZMYMLBHFKP-WCQYABFASA-N 1 1 350.814 -0.257 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cn(C)cn1 ZINC001070524834 842298197 /nfs/dbraw/zinc/29/81/97/842298197.db2.gz DRWYJLZXAMDUAI-CMPLNLGQSA-N 1 1 350.814 -0.106 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001070527757 842297724 /nfs/dbraw/zinc/29/77/24/842297724.db2.gz CKKXGTPOVVQEBJ-DMDPSCGWSA-N 1 1 352.826 -0.262 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001070527758 842298098 /nfs/dbraw/zinc/29/80/98/842298098.db2.gz CKKXGTPOVVQEBJ-GMXVVIOVSA-N 1 1 352.826 -0.262 20 30 FBEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070527781 842297940 /nfs/dbraw/zinc/29/79/40/842297940.db2.gz DTRAUHWEXCSYMR-GXSJLCMTSA-N 1 1 356.224 -0.302 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cncn1C ZINC001070618421 842304141 /nfs/dbraw/zinc/30/41/41/842304141.db2.gz 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ZINC001112052957 836067159 /nfs/dbraw/zinc/06/71/59/836067159.db2.gz KWKLBPGRIHYZFB-GHMZBOCLSA-N 1 1 362.377 -0.029 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C(F)(F)F ZINC001112053082 836067227 /nfs/dbraw/zinc/06/72/27/836067227.db2.gz QTVKKDMXLGUPSA-PSASIEDQSA-N 1 1 361.349 -0.120 20 30 FBEDMO N#CCSCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112053195 842827076 /nfs/dbraw/zinc/82/70/76/842827076.db2.gz YHKSWPIZJIPYJR-HTQZYQBOSA-N 1 1 367.353 -0.583 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1C(F)(F)F ZINC001112054394 836068239 /nfs/dbraw/zinc/06/82/39/836068239.db2.gz XTEJSCQVVYPKHW-HTQZYQBOSA-N 1 1 362.337 -0.230 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@H]1C(F)(F)F ZINC001112054415 836068218 /nfs/dbraw/zinc/06/82/18/836068218.db2.gz YWLMQHNABRIQCC-RKDXNWHRSA-N 1 1 361.349 -0.120 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C(F)(F)F ZINC001112055529 836068139 /nfs/dbraw/zinc/06/81/39/836068139.db2.gz RNIIYUQYFXDUHA-VXNVDRBHSA-N 1 1 362.337 -0.230 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C(F)(F)F ZINC001112057756 836068836 /nfs/dbraw/zinc/06/88/36/836068836.db2.gz JZONUZFNSYJPAA-NXEZZACHSA-N 1 1 364.324 -0.929 20 30 FBEDMO Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)n[nH]1 ZINC001112058004 842828944 /nfs/dbraw/zinc/82/89/44/842828944.db2.gz WBIFHMPSUIJEIG-MWLCHTKSSA-N 1 1 358.324 -0.050 20 30 FBEDMO Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)[nH]n1 ZINC001112058004 842828936 /nfs/dbraw/zinc/82/89/36/842828936.db2.gz WBIFHMPSUIJEIG-MWLCHTKSSA-N 1 1 358.324 -0.050 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C(F)(F)F ZINC001112058111 842829367 /nfs/dbraw/zinc/82/93/67/842829367.db2.gz YVQDWOZWTOJCDJ-NXEZZACHSA-N 1 1 366.340 -0.377 20 30 FBEDMO COCC#CC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112059848 842829225 /nfs/dbraw/zinc/82/92/25/842829225.db2.gz GWUXZJOFKZSHQX-GHMZBOCLSA-N 1 1 356.366 -0.340 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112059956 836070466 /nfs/dbraw/zinc/07/04/66/836070466.db2.gz LNSBWOMJCDNOCQ-NXEZZACHSA-N 1 1 371.381 -0.688 20 30 FBEDMO Cn1nccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112060898 842829696 /nfs/dbraw/zinc/82/96/96/842829696.db2.gz BSXVGOQOLUZKMS-NXEZZACHSA-N 1 1 358.324 -0.348 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C(F)(F)F ZINC001112061496 842830620 /nfs/dbraw/zinc/83/06/20/842830620.db2.gz ZXMSZPDVGRRYHN-GHMZBOCLSA-N 1 1 357.336 -0.238 20 30 FBEDMO COC[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112065846 836072303 /nfs/dbraw/zinc/07/23/03/836072303.db2.gz QPVVDIHPRPWNGQ-GMTAPVOTSA-N 1 1 350.341 -0.112 20 30 FBEDMO COC[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112065847 836072038 /nfs/dbraw/zinc/07/20/38/836072038.db2.gz QPVVDIHPRPWNGQ-HBNTYKKESA-N 1 1 350.341 -0.112 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112066848 842831068 /nfs/dbraw/zinc/83/10/68/842831068.db2.gz JEAWIXLJCHMOEF-GMTAPVOTSA-N 1 1 362.352 -0.454 20 30 FBEDMO Cc1nc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)c[nH]1 ZINC001112067988 836073281 /nfs/dbraw/zinc/07/32/81/836073281.db2.gz DGFXKMCZZZHRST-MWLCHTKSSA-N 1 1 358.324 -0.050 20 30 FBEDMO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112068679 842830323 /nfs/dbraw/zinc/83/03/23/842830323.db2.gz KYUFYLVZQKBUMD-RKDXNWHRSA-N 1 1 352.313 -0.637 20 30 FBEDMO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112068893 842830743 /nfs/dbraw/zinc/83/07/43/842830743.db2.gz WHYTUTMXYDXYJF-IVZWLZJFSA-N 1 1 366.340 -0.249 20 30 FBEDMO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112068894 842830807 /nfs/dbraw/zinc/83/08/07/842830807.db2.gz WHYTUTMXYDXYJF-OPRDCNLKSA-N 1 1 366.340 -0.249 20 30 FBEDMO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001112069717 842830850 /nfs/dbraw/zinc/83/08/50/842830850.db2.gz KRWFIUISUXYVRV-NXEZZACHSA-N 1 1 366.340 -0.377 20 30 FBEDMO COCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112070687 836075190 /nfs/dbraw/zinc/07/51/90/836075190.db2.gz BANCIMIGRGFVJX-GHMZBOCLSA-N 1 1 366.340 -0.732 20 30 FBEDMO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070861 842831405 /nfs/dbraw/zinc/83/14/05/842831405.db2.gz JACXBGFQUDLZLX-JHJVBQTASA-N 1 1 360.380 -0.191 20 30 FBEDMO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070862 842830090 /nfs/dbraw/zinc/83/00/90/842830090.db2.gz JACXBGFQUDLZLX-UPJWGTAASA-N 1 1 360.380 -0.191 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@H]1C(F)(F)F ZINC001112071066 842830569 /nfs/dbraw/zinc/83/05/69/842830569.db2.gz PGUKXAYPRJUDFD-VXGBXAGGSA-N 1 1 367.368 -0.070 20 30 FBEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NCC#N)C1 ZINC001112071084 842831085 /nfs/dbraw/zinc/83/10/85/842831085.db2.gz PVCDETYGILFRDA-IJLUTSLNSA-N 1 1 361.368 -0.301 20 30 FBEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NCC#N)C1 ZINC001112071085 842831170 /nfs/dbraw/zinc/83/11/70/842831170.db2.gz PVCDETYGILFRDA-UTUOFQBUSA-N 1 1 361.368 -0.301 20 30 FBEDMO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C(F)(F)F ZINC001112071242 836074685 /nfs/dbraw/zinc/07/46/85/836074685.db2.gz WVMBVMQZOYSCOY-IVZWLZJFSA-N 1 1 363.340 -0.029 20 30 FBEDMO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C(F)(F)F ZINC001112071243 836074753 /nfs/dbraw/zinc/07/47/53/836074753.db2.gz WVMBVMQZOYSCOY-OPRDCNLKSA-N 1 1 363.340 -0.029 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C(F)(F)F ZINC001112072012 842832486 /nfs/dbraw/zinc/83/24/86/842832486.db2.gz FXMWQHTZFQZMHV-GHMZBOCLSA-N 1 1 362.352 -0.759 20 30 FBEDMO CCC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112072234 842832686 /nfs/dbraw/zinc/83/26/86/842832686.db2.gz OZFCAIDSUNCNQI-NXEZZACHSA-N 1 1 363.340 -0.869 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C(F)(F)F ZINC001112072379 842832536 /nfs/dbraw/zinc/83/25/36/842832536.db2.gz UXXAOQJYSPYTCW-GHMZBOCLSA-N 1 1 364.368 -0.206 20 30 FBEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073371 842832459 /nfs/dbraw/zinc/83/24/59/842832459.db2.gz NIBHEOOUEYMSPN-IVZWLZJFSA-N 1 1 350.341 -0.469 20 30 FBEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073372 842831943 /nfs/dbraw/zinc/83/19/43/842831943.db2.gz NIBHEOOUEYMSPN-OPRDCNLKSA-N 1 1 350.341 -0.469 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C(F)(F)F ZINC001112073607 842832236 /nfs/dbraw/zinc/83/22/36/842832236.db2.gz WRGKSEYZCMHSAK-VXGBXAGGSA-N 1 1 358.320 -0.055 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCCOC)C[C@H]1C(F)(F)F ZINC001112074390 842833871 /nfs/dbraw/zinc/83/38/71/842833871.db2.gz DZRCUELRJGMMBU-VXGBXAGGSA-N 1 1 365.352 -0.622 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C(F)(F)F ZINC001112075426 842833982 /nfs/dbraw/zinc/83/39/82/842833982.db2.gz AXFZSIOBPORIIP-GHMZBOCLSA-N 1 1 359.308 -0.164 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C(F)(F)F ZINC001112075680 842834203 /nfs/dbraw/zinc/83/42/03/842834203.db2.gz NZQCPJZRDOMRGN-GHMZBOCLSA-N 1 1 358.324 -0.429 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C(F)(F)F ZINC001112075785 842833343 /nfs/dbraw/zinc/83/33/43/842833343.db2.gz UADZXVZEZKLBNF-VXGBXAGGSA-N 1 1 357.336 -0.320 20 30 FBEDMO Cn1cnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)c1 ZINC001112081526 842833759 /nfs/dbraw/zinc/83/37/59/842833759.db2.gz CDKCOQJSPNBIHU-NXEZZACHSA-N 1 1 358.324 -0.348 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C(F)(F)F ZINC001112081744 842835584 /nfs/dbraw/zinc/83/55/84/842835584.db2.gz ISQQCYXGRUWNSP-GHMZBOCLSA-N 1 1 357.336 -0.238 20 30 FBEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001112085519 842835176 /nfs/dbraw/zinc/83/51/76/842835176.db2.gz ACUMTVOPPVFVFV-GHMZBOCLSA-N 1 1 362.352 -0.759 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C(F)(F)F ZINC001112085862 842835441 /nfs/dbraw/zinc/83/54/41/842835441.db2.gz SCGKFENRDWVMEE-VXGBXAGGSA-N 1 1 360.336 -0.048 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C(F)(F)F ZINC001112085890 842835418 /nfs/dbraw/zinc/83/54/18/842835418.db2.gz TYQMPXNRUAHYLU-VXGBXAGGSA-N 1 1 355.320 -0.182 20 30 FBEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112085922 842835319 /nfs/dbraw/zinc/83/53/19/842835319.db2.gz VURXABIUDVABAW-GHMZBOCLSA-N 1 1 362.352 -0.807 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C(F)(F)F ZINC001112087633 842835113 /nfs/dbraw/zinc/83/51/13/842835113.db2.gz MZUYOJHLJPEWKA-NXEZZACHSA-N 1 1 350.341 -0.596 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C(F)(F)F ZINC001112087899 842836457 /nfs/dbraw/zinc/83/64/57/842836457.db2.gz ZIORZEXEDBKUDG-IVZWLZJFSA-N 1 1 365.356 -0.676 20 30 FBEDMO CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112088571 842837289 /nfs/dbraw/zinc/83/72/89/842837289.db2.gz NMKNYFPTULYIML-NXEZZACHSA-N 1 1 363.340 -0.869 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C(F)(F)F ZINC001112088591 842836491 /nfs/dbraw/zinc/83/64/91/842836491.db2.gz OKNJVMPCXZUTHC-GHMZBOCLSA-N 1 1 362.352 -0.759 20 30 FBEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112088717 842836884 /nfs/dbraw/zinc/83/68/84/842836884.db2.gz WICOGMDDBUMFMA-GMTAPVOTSA-N 1 1 362.352 -0.761 20 30 FBEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112088718 842837370 /nfs/dbraw/zinc/83/73/70/842837370.db2.gz WICOGMDDBUMFMA-HBNTYKKESA-N 1 1 362.352 -0.761 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C(F)(F)F ZINC001112088761 842837845 /nfs/dbraw/zinc/83/78/45/842837845.db2.gz YFJRRESHMCNDPU-GHMZBOCLSA-N 1 1 364.368 -0.206 20 30 FBEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C(F)(F)F ZINC001112089664 842838652 /nfs/dbraw/zinc/83/86/52/842838652.db2.gz RWAJRFCPZKFFSF-GMTAPVOTSA-N 1 1 362.352 -0.761 20 30 FBEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C(F)(F)F ZINC001112089665 842838136 /nfs/dbraw/zinc/83/81/36/842838136.db2.gz RWAJRFCPZKFFSF-HBNTYKKESA-N 1 1 362.352 -0.761 20 30 FBEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C(F)(F)F ZINC001112089728 836083307 /nfs/dbraw/zinc/08/33/07/836083307.db2.gz VDEMTRDHYCANHG-GMTAPVOTSA-N 1 1 364.368 -0.208 20 30 FBEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C(F)(F)F ZINC001112089729 836082617 /nfs/dbraw/zinc/08/26/17/836082617.db2.gz VDEMTRDHYCANHG-HBNTYKKESA-N 1 1 364.368 -0.208 20 30 FBEDMO CC(C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112090345 842837861 /nfs/dbraw/zinc/83/78/61/842837861.db2.gz DXBDQQXMCHFDKF-NXEZZACHSA-N 1 1 350.341 -0.234 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C(F)(F)F ZINC001112091469 842838989 /nfs/dbraw/zinc/83/89/89/842838989.db2.gz HWVRULVGPAKMIH-NXEZZACHSA-N 1 1 358.324 -0.843 20 30 FBEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112091612 842839792 /nfs/dbraw/zinc/83/97/92/842839792.db2.gz NVKVCRBGCHGEMJ-GYSYKLTISA-N 1 1 362.352 -0.068 20 30 FBEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112091613 842839206 /nfs/dbraw/zinc/83/92/06/842839206.db2.gz NVKVCRBGCHGEMJ-JTNHKYCSSA-N 1 1 362.352 -0.068 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C(F)(F)F ZINC001112091690 842839314 /nfs/dbraw/zinc/83/93/14/842839314.db2.gz RMPRZQVRIMQUFQ-NXEZZACHSA-N 1 1 360.340 -0.290 20 30 FBEDMO Cn1nncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112091692 842839958 /nfs/dbraw/zinc/83/99/58/842839958.db2.gz ROHOBLOLSSIWNW-RKDXNWHRSA-N 1 1 359.312 -0.953 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C(F)(F)F ZINC001112092454 842839715 /nfs/dbraw/zinc/83/97/15/842839715.db2.gz ATRLHAAPPGLJHM-BBBLOLIVSA-N 1 1 364.324 -0.624 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C(F)(F)F ZINC001112092455 842839002 /nfs/dbraw/zinc/83/90/02/842839002.db2.gz ATRLHAAPPGLJHM-OPRDCNLKSA-N 1 1 364.324 -0.624 20 30 FBEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112092880 842839929 /nfs/dbraw/zinc/83/99/29/842839929.db2.gz RLPZCXHIWOHTRY-JRKPZEMJSA-N 1 1 366.340 -0.513 20 30 FBEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112092881 842839071 /nfs/dbraw/zinc/83/90/71/842839071.db2.gz RLPZCXHIWOHTRY-KKFJDGPESA-N 1 1 366.340 -0.513 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C(F)(F)F ZINC001112094673 842839158 /nfs/dbraw/zinc/83/91/58/842839158.db2.gz AZXZHQLMAODLIM-NXEZZACHSA-N 1 1 358.324 -0.843 20 30 FBEDMO Cn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)nn1 ZINC001112094699 842839517 /nfs/dbraw/zinc/83/95/17/842839517.db2.gz CKWLZVWPSFJJBF-RKDXNWHRSA-N 1 1 359.312 -0.953 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C(F)(F)F ZINC001112094869 842839993 /nfs/dbraw/zinc/83/99/93/842839993.db2.gz HLIYDWJIBHDSRU-NXEZZACHSA-N 1 1 360.340 -0.290 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C(F)(F)F ZINC001112094877 836085247 /nfs/dbraw/zinc/08/52/47/836085247.db2.gz HXCJQOXALKLNJQ-NXEZZACHSA-N 1 1 360.340 -0.290 20 30 FBEDMO Cn1cnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001112095072 842839330 /nfs/dbraw/zinc/83/93/30/842839330.db2.gz NDSOTRSDPXFWIN-RKDXNWHRSA-N 1 1 359.312 -0.953 20 30 FBEDMO CC(C)[C@@H](O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112095098 836085260 /nfs/dbraw/zinc/08/52/60/836085260.db2.gz OBJIKVPJLRMUDE-CKYFFXLPSA-N 1 1 350.341 -0.378 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C(F)(F)F ZINC001112095433 842839117 /nfs/dbraw/zinc/83/91/17/842839117.db2.gz YUDFJPCMZSSDJM-NXEZZACHSA-N 1 1 358.324 -0.843 20 30 FBEDMO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F ZINC001112097413 836084994 /nfs/dbraw/zinc/08/49/94/836084994.db2.gz DBNSJTQDZORIFD-GHMZBOCLSA-N 1 1 360.336 -0.166 20 30 FBEDMO Cc1c[nH]nc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112097564 842840463 /nfs/dbraw/zinc/84/04/63/842840463.db2.gz GPEJSYVMEPFTEM-NXEZZACHSA-N 1 1 358.324 -0.050 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C(F)(F)F ZINC001112097873 842840323 /nfs/dbraw/zinc/84/03/23/842840323.db2.gz OBWJEASNCKEJPP-GHMZBOCLSA-N 1 1 362.352 -0.090 20 30 FBEDMO C[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F)C(=O)NC(N)=O ZINC001112098753 842840421 /nfs/dbraw/zinc/84/04/21/842840421.db2.gz RTPFWCVQNGLLDO-FBIMIBRVSA-N 1 1 360.336 -0.038 20 30 FBEDMO C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F)C(=O)NC(N)=O ZINC001112098754 842841084 /nfs/dbraw/zinc/84/10/84/842841084.db2.gz RTPFWCVQNGLLDO-JMJZKYOTSA-N 1 1 360.336 -0.038 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@H]1C(F)(F)F ZINC001112100396 842841216 /nfs/dbraw/zinc/84/12/16/842841216.db2.gz BODTUOYJHSOMIF-JHJVBQTASA-N 1 1 359.348 -0.247 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@H]1C(F)(F)F ZINC001112100397 842840486 /nfs/dbraw/zinc/84/04/86/842840486.db2.gz BODTUOYJHSOMIF-YNEHKIRRSA-N 1 1 359.348 -0.247 20 30 FBEDMO C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112100595 842840851 /nfs/dbraw/zinc/84/08/51/842840851.db2.gz GGQVETNDUFVEIB-IJLUTSLNSA-N 1 1 360.336 -0.357 20 30 FBEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112100596 842840345 /nfs/dbraw/zinc/84/03/45/842840345.db2.gz GGQVETNDUFVEIB-QJPTWQEYSA-N 1 1 360.336 -0.357 20 30 FBEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112100965 842840774 /nfs/dbraw/zinc/84/07/74/842840774.db2.gz RTWRDIBMPIMZEX-IVZWLZJFSA-N 1 1 364.324 -0.802 20 30 FBEDMO C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112100966 842840813 /nfs/dbraw/zinc/84/08/13/842840813.db2.gz RTWRDIBMPIMZEX-OPRDCNLKSA-N 1 1 364.324 -0.802 20 30 FBEDMO C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112101341 836885707 /nfs/dbraw/zinc/88/57/07/836885707.db2.gz JHJHYNZHIFMPBX-VXGBXAGGSA-N 1 1 360.336 -0.355 20 30 FBEDMO C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112101545 836887281 /nfs/dbraw/zinc/88/72/81/836887281.db2.gz RNYLSMMTUVFGRY-NXEZZACHSA-N 1 1 364.324 -0.800 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCOCC#C)C[C@H]1C(F)(F)F ZINC001112101664 842840590 /nfs/dbraw/zinc/84/05/90/842840590.db2.gz WHKWDHVAFGRJGO-CHWSQXEVSA-N 1 1 359.348 -0.245 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C(F)(F)F ZINC001112104427 842842358 /nfs/dbraw/zinc/84/23/58/842842358.db2.gz IKJYYHHHCOISSW-YFCNSXCBSA-N 1 1 359.348 -0.249 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C(F)(F)F ZINC001112104494 842842431 /nfs/dbraw/zinc/84/24/31/842842431.db2.gz LQQHYROOESOLOH-OXIWPEFWSA-N 1 1 360.336 -0.358 20 30 FBEDMO COCC#CC[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC001112107250 836894904 /nfs/dbraw/zinc/89/49/04/836894904.db2.gz VYNQEAPXGQAPFH-VXGBXAGGSA-N 1 1 368.377 -0.340 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C(F)(F)F ZINC001112107656 842842016 /nfs/dbraw/zinc/84/20/16/842842016.db2.gz KVQHHUVEFFKBHT-GHMZBOCLSA-N 1 1 358.324 -0.994 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C(F)(F)F ZINC001112108060 842841897 /nfs/dbraw/zinc/84/18/97/842841897.db2.gz ZEUKECASEBDNCX-GHMZBOCLSA-N 1 1 360.340 -0.441 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C(F)(F)F ZINC001112111151 842843139 /nfs/dbraw/zinc/84/31/39/842843139.db2.gz HTSIMKROUODNNP-NXEZZACHSA-N 1 1 365.356 -0.804 20 30 FBEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112116313 842845286 /nfs/dbraw/zinc/84/52/86/842845286.db2.gz WWCUWVCCWSSCKT-UPJWGTAASA-N 1 1 360.380 -0.191 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C(F)(F)F ZINC001112117883 842845218 /nfs/dbraw/zinc/84/52/18/842845218.db2.gz HRGXRFWPBDZQJX-NXEZZACHSA-N 1 1 364.368 -0.221 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C(F)(F)F ZINC001112118060 842845089 /nfs/dbraw/zinc/84/50/89/842845089.db2.gz QJCUNTZQMPKPTG-NXEZZACHSA-N 1 1 362.352 -0.774 20 30 FBEDMO CC(C)(C(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112118168 842846490 /nfs/dbraw/zinc/84/64/90/842846490.db2.gz WOSNQWOFVGIZAH-RKDXNWHRSA-N 1 1 363.340 -0.883 20 30 FBEDMO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C(F)(F)F ZINC001112123368 842846594 /nfs/dbraw/zinc/84/65/94/842846594.db2.gz GRZFKSCYMCOTTQ-GHMZBOCLSA-N 1 1 356.366 -0.340 20 30 FBEDMO COCC#CC[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C(F)(F)F ZINC001112125028 842846052 /nfs/dbraw/zinc/84/60/52/842846052.db2.gz KIGVUZCVJZNDGC-NXEZZACHSA-N 1 1 371.306 -0.004 20 30 FBEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001112126165 842847784 /nfs/dbraw/zinc/84/77/84/842847784.db2.gz BMPWHNSCZADTPW-FXPVBKGRSA-N 1 1 358.324 -0.465 20 30 FBEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001112126166 842847512 /nfs/dbraw/zinc/84/75/12/842847512.db2.gz BMPWHNSCZADTPW-IQJOONFLSA-N 1 1 358.324 -0.465 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C(F)(F)F ZINC001112127459 842847676 /nfs/dbraw/zinc/84/76/76/842847676.db2.gz OSIYGLGNHNQIIC-GHMZBOCLSA-N 1 1 357.336 -0.238 20 30 FBEDMO Cn1cncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112127486 842847530 /nfs/dbraw/zinc/84/75/30/842847530.db2.gz QDSIPFSRCHZRLP-NXEZZACHSA-N 1 1 358.324 -0.348 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC(F)F)C[C@H]1C(F)(F)F ZINC001112138115 836167906 /nfs/dbraw/zinc/16/79/06/836167906.db2.gz ULAKUWRSBGADJS-NXEZZACHSA-N 1 1 371.306 -0.004 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1C(F)(F)F ZINC001112139798 836180594 /nfs/dbraw/zinc/18/05/94/836180594.db2.gz JLYWTFUGCIIUEV-RKDXNWHRSA-N 1 1 361.349 -0.120 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@H]1C(F)(F)F ZINC001112139854 842848512 /nfs/dbraw/zinc/84/85/12/842848512.db2.gz MIKNEGPELCZSST-HTQZYQBOSA-N 1 1 362.337 -0.230 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C(F)(F)F ZINC001112141128 842848940 /nfs/dbraw/zinc/84/89/40/842848940.db2.gz KVIXVCCSCHQUFE-NXEZZACHSA-N 1 1 358.324 -0.545 20 30 FBEDMO Cc1n[nH]nc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112141129 842849591 /nfs/dbraw/zinc/84/95/91/842849591.db2.gz LCNGHMOIDUINPH-RKDXNWHRSA-N 1 1 359.312 -0.655 20 30 FBEDMO Cc1n[nH]cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112141269 842849003 /nfs/dbraw/zinc/84/90/03/842849003.db2.gz SXGRGOYAHYRUJT-GHMZBOCLSA-N 1 1 358.324 -0.050 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112143690 842850627 /nfs/dbraw/zinc/85/06/27/842850627.db2.gz GAYFOKFBVBWVBX-GMTAPVOTSA-N 1 1 364.368 -0.221 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112143691 842850151 /nfs/dbraw/zinc/85/01/51/842850151.db2.gz GAYFOKFBVBWVBX-HBNTYKKESA-N 1 1 364.368 -0.221 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112145321 836212096 /nfs/dbraw/zinc/21/20/96/836212096.db2.gz QUIMZXMNVVBCGM-GMTAPVOTSA-N 1 1 362.352 -0.774 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112145322 836212213 /nfs/dbraw/zinc/21/22/13/836212213.db2.gz QUIMZXMNVVBCGM-HBNTYKKESA-N 1 1 362.352 -0.774 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C(F)(F)F ZINC001112145404 842849953 /nfs/dbraw/zinc/84/99/53/842849953.db2.gz RHYQFNIZUYKYRV-GMTAPVOTSA-N 1 1 362.352 -0.596 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C(F)(F)F ZINC001112145405 842850237 /nfs/dbraw/zinc/85/02/37/842850237.db2.gz RHYQFNIZUYKYRV-HBNTYKKESA-N 1 1 362.352 -0.596 20 30 FBEDMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112145406 842850952 /nfs/dbraw/zinc/85/09/52/842850952.db2.gz RITOJJVVDAXMEG-IVZWLZJFSA-N 1 1 363.340 -0.883 20 30 FBEDMO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112145407 842850646 /nfs/dbraw/zinc/85/06/46/842850646.db2.gz RITOJJVVDAXMEG-OPRDCNLKSA-N 1 1 363.340 -0.883 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C(F)(F)F ZINC001112145853 836217315 /nfs/dbraw/zinc/21/73/15/836217315.db2.gz KFCBZFYFFIPEDR-RKDXNWHRSA-N 1 1 361.328 -0.895 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C(F)(F)F ZINC001112146700 842850932 /nfs/dbraw/zinc/85/09/32/842850932.db2.gz JIJWEKYLQRHXIB-TUTUZKQUSA-N 1 1 360.336 -0.503 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C(F)(F)F ZINC001112146731 842850681 /nfs/dbraw/zinc/85/06/81/842850681.db2.gz LBIWNPGXOWYHJW-OJROKELRSA-N 1 1 359.348 -0.393 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C(F)(F)F ZINC001112150687 842850486 /nfs/dbraw/zinc/85/04/86/842850486.db2.gz DUGWNIQSDJVYBY-VXGBXAGGSA-N 1 1 358.320 -0.055 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C(F)(F)F ZINC001112150816 842850732 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HKHAOIACWGQZCE-NXEZZACHSA-N 1 1 362.352 -0.467 20 30 FBEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112155991 842852226 /nfs/dbraw/zinc/85/22/26/842852226.db2.gz UGSVPFIQEMTPCV-GHMZBOCLSA-N 1 1 364.368 -0.125 20 30 FBEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112157145 842851685 /nfs/dbraw/zinc/85/16/85/842851685.db2.gz SYVAJPGEBXCTIQ-NXEZZACHSA-N 1 1 363.340 -0.787 20 30 FBEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112157231 836245880 /nfs/dbraw/zinc/24/58/80/836245880.db2.gz XVNMWFLMFGXKEP-GHMZBOCLSA-N 1 1 362.352 -0.349 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C(F)(F)F ZINC001112160812 842852178 /nfs/dbraw/zinc/85/21/78/842852178.db2.gz AYFLYJLNRJOBML-PSASIEDQSA-N 1 1 361.299 -0.109 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C(F)(F)F ZINC001112161690 836251254 /nfs/dbraw/zinc/25/12/54/836251254.db2.gz YSZNMGKPICARRW-VXNVDRBHSA-N 1 1 362.287 -0.219 20 30 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COC[C@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112162170 836251392 /nfs/dbraw/zinc/25/13/92/836251392.db2.gz KKXXOQMORDGLLQ-MXWKQRLJSA-N 1 1 366.340 -0.734 20 30 FBEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C(F)(F)F ZINC001112166040 842853913 /nfs/dbraw/zinc/85/39/13/842853913.db2.gz AWUNNYVUFAHPRR-LMLFDSFASA-N 1 1 362.352 -0.611 20 30 FBEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C(F)(F)F ZINC001112169706 842852606 /nfs/dbraw/zinc/85/26/06/842852606.db2.gz LIRAMUJTTLCILB-GHMZBOCLSA-N 1 1 356.308 -0.291 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C(F)(F)F ZINC001112170439 842852629 /nfs/dbraw/zinc/85/26/29/842852629.db2.gz VGJGMQJRGLPTCY-VXGBXAGGSA-N 1 1 355.320 -0.182 20 30 FBEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C(F)(F)F ZINC001112171370 842853940 /nfs/dbraw/zinc/85/39/40/842853940.db2.gz GLEMCIVEEZXCSK-VXGBXAGGSA-N 1 1 357.336 -0.320 20 30 FBEDMO 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UBUHARHTWSLXPZ-KGLIPLIRSA-N 1 1 370.479 -0.346 20 30 FBEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129536475 839516803 /nfs/dbraw/zinc/51/68/03/839516803.db2.gz CENAMGFERXNUTC-NEPJUHHUSA-N 1 1 371.239 -0.336 20 30 FBEDMO Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129607731 839521785 /nfs/dbraw/zinc/52/17/85/839521785.db2.gz AGQMQJKOPSGVNT-OLZOCXBDSA-N 1 1 361.435 -0.795 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129617516 839523920 /nfs/dbraw/zinc/52/39/20/839523920.db2.gz APLXCBUFTMFOJX-OLZOCXBDSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129771244 839543125 /nfs/dbraw/zinc/54/31/25/839543125.db2.gz YGVZISZODZBDAP-MNOVXSKESA-N 1 1 371.239 -0.336 20 30 FBEDMO C#CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=C)Cl)[C@@H](n2ccnn2)C1 ZINC001129774775 839543951 /nfs/dbraw/zinc/54/39/51/839543951.db2.gz QCQBPTPZUJJAPY-OLZOCXBDSA-N 1 1 350.810 -0.488 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCNC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129807655 839544927 /nfs/dbraw/zinc/54/49/27/839544927.db2.gz PZNGSNOPKSXWNR-NEPJUHHUSA-N 1 1 355.830 -0.309 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129834212 839549159 /nfs/dbraw/zinc/54/91/59/839549159.db2.gz PVXCCAOMSRYSFR-TUAOUCFPSA-N 1 1 355.830 -0.181 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129834213 839549431 /nfs/dbraw/zinc/54/94/31/839549431.db2.gz PVXCCAOMSRYSFR-UTUOFQBUSA-N 1 1 355.830 -0.181 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129867047 839552678 /nfs/dbraw/zinc/55/26/78/839552678.db2.gz NULQFWOUXQGYHO-UPJWGTAASA-N 1 1 370.841 -0.477 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129867052 839553473 /nfs/dbraw/zinc/55/34/73/839553473.db2.gz NULQFWOUXQGYHO-XQQFMLRXSA-N 1 1 370.841 -0.477 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCNC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129879145 839550237 /nfs/dbraw/zinc/55/02/37/839550237.db2.gz UMHGJAZMYQXMHO-OLZOCXBDSA-N 1 1 370.841 -0.475 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@@H]1n1ccnn1 ZINC001129887749 839551567 /nfs/dbraw/zinc/55/15/67/839551567.db2.gz OPXFQAZPGIARMW-OLZOCXBDSA-N 1 1 370.841 -0.523 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129917564 839555827 /nfs/dbraw/zinc/55/58/27/839555827.db2.gz WRJZWAIKQVPEHF-NEPJUHHUSA-N 1 1 361.855 -0.193 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129921222 839559908 /nfs/dbraw/zinc/55/99/08/839559908.db2.gz WDDSXROFMVZIHA-ZJUUUORDSA-N 1 1 362.768 -0.247 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1n1ccnn1 ZINC001130038175 839574074 /nfs/dbraw/zinc/57/40/74/839574074.db2.gz PZPWLTUYJFMOPI-NEPJUHHUSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1n1ccnn1 ZINC001130062368 839576615 /nfs/dbraw/zinc/57/66/15/839576615.db2.gz BQTJIDPILDUSQY-OLZOCXBDSA-N 1 1 352.826 -0.102 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@@H]1n1ccnn1 ZINC001130137042 839585277 /nfs/dbraw/zinc/58/52/77/839585277.db2.gz GLABYRIZEAAPOB-NEPJUHHUSA-N 1 1 361.855 -0.193 20 30 FBEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC)[nH]1 ZINC001130173058 839592063 /nfs/dbraw/zinc/59/20/63/839592063.db2.gz CZKANNXTQQIXPQ-STQMWFEESA-N 1 1 351.407 -0.821 20 30 FBEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1 ZINC001130173108 839593332 /nfs/dbraw/zinc/59/33/32/839593332.db2.gz GATYYHHNPJFNLN-STQMWFEESA-N 1 1 353.423 -0.268 20 30 FBEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 ZINC001130173108 839593329 /nfs/dbraw/zinc/59/33/29/839593329.db2.gz GATYYHHNPJFNLN-STQMWFEESA-N 1 1 353.423 -0.268 20 30 FBEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[nH]1 ZINC001130173462 839594279 /nfs/dbraw/zinc/59/42/79/839594279.db2.gz SGPKOURNTJUBJY-DRZSPHRISA-N 1 1 350.423 -0.406 20 30 FBEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[nH]1 ZINC001130173463 839593926 /nfs/dbraw/zinc/59/39/26/839593926.db2.gz SGPKOURNTJUBJY-WXHSDQCUSA-N 1 1 350.423 -0.406 20 30 FBEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)F)[nH]1 ZINC001130175346 839588409 /nfs/dbraw/zinc/58/84/09/839588409.db2.gz JNRADNZYRSBTPI-QWRGUYRKSA-N 1 1 357.361 -0.202 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(C)=O)n[nH]1 ZINC001130177516 839590279 /nfs/dbraw/zinc/59/02/79/839590279.db2.gz FDDIXFSQWQDEFY-STQMWFEESA-N 1 1 350.423 -0.405 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(C)=O)n1 ZINC001130177516 839590276 /nfs/dbraw/zinc/59/02/76/839590276.db2.gz FDDIXFSQWQDEFY-STQMWFEESA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(C)=O)n[nH]1 ZINC001130177585 839590882 /nfs/dbraw/zinc/59/08/82/839590882.db2.gz JEIRTLSQPQTDRI-STQMWFEESA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(C)=O)n1 ZINC001130177585 839590876 /nfs/dbraw/zinc/59/08/76/839590876.db2.gz JEIRTLSQPQTDRI-STQMWFEESA-N 1 1 350.423 -0.405 20 30 FBEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(C)=O)[nH]1 ZINC001130177654 839591358 /nfs/dbraw/zinc/59/13/58/839591358.db2.gz NBSBSCJQLQQLHN-RYUDHWBXSA-N 1 1 370.841 -0.228 20 30 FBEDMO C=CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC)[nH]1 ZINC001130177855 839590554 /nfs/dbraw/zinc/59/05/54/839590554.db2.gz YITCZFMDXAHCDR-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[nH]1 ZINC001130181270 839592841 /nfs/dbraw/zinc/59/28/41/839592841.db2.gz FBUWENLYVRAAMI-STQMWFEESA-N 1 1 367.475 -0.104 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)NC(C)=O)n[nH]1 ZINC001130181420 839591764 /nfs/dbraw/zinc/59/17/64/839591764.db2.gz HBCZGFQJGCWFEU-DRZSPHRISA-N 1 1 350.423 -0.406 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)NC(C)=O)n1 ZINC001130181420 839591762 /nfs/dbraw/zinc/59/17/62/839591762.db2.gz HBCZGFQJGCWFEU-DRZSPHRISA-N 1 1 350.423 -0.406 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)NC(C)=O)n[nH]1 ZINC001130181421 839593148 /nfs/dbraw/zinc/59/31/48/839593148.db2.gz HBCZGFQJGCWFEU-WXHSDQCUSA-N 1 1 350.423 -0.406 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)NC(C)=O)n1 ZINC001130181421 839593145 /nfs/dbraw/zinc/59/31/45/839593145.db2.gz HBCZGFQJGCWFEU-WXHSDQCUSA-N 1 1 350.423 -0.406 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(N)=O)n[nH]1 ZINC001130183044 839600637 /nfs/dbraw/zinc/60/06/37/839600637.db2.gz MUIDRERIQHYFJU-QWRGUYRKSA-N 1 1 351.411 -0.873 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(N)=O)n1 ZINC001130183044 839600636 /nfs/dbraw/zinc/60/06/36/839600636.db2.gz MUIDRERIQHYFJU-QWRGUYRKSA-N 1 1 351.411 -0.873 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(N)=O)n[nH]1 ZINC001130183065 839600708 /nfs/dbraw/zinc/60/07/08/839600708.db2.gz OANJDAUCZLMPAJ-QWRGUYRKSA-N 1 1 351.411 -0.873 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(N)=O)n1 ZINC001130183065 839600704 /nfs/dbraw/zinc/60/07/04/839600704.db2.gz OANJDAUCZLMPAJ-QWRGUYRKSA-N 1 1 351.411 -0.873 20 30 FBEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2snnc2C)[nH]1 ZINC001130183245 839600537 /nfs/dbraw/zinc/60/05/37/839600537.db2.gz YEUDWUNNJKCVLV-QWRGUYRKSA-N 1 1 361.431 -0.010 20 30 FBEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(N)=O)[nH]1 ZINC001130183248 839600526 /nfs/dbraw/zinc/60/05/26/839600526.db2.gz YGCWKWSZZNIOLZ-UWVGGRQHSA-N 1 1 371.829 -0.696 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2COCCO2)n[nH]1 ZINC001130184926 839601511 /nfs/dbraw/zinc/60/15/11/839601511.db2.gz MVQKHUWNULQZFC-AVGNSLFASA-N 1 1 351.407 -0.516 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2COCCO2)n1 ZINC001130184926 839601505 /nfs/dbraw/zinc/60/15/05/839601505.db2.gz MVQKHUWNULQZFC-AVGNSLFASA-N 1 1 351.407 -0.516 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2COCCO2)n[nH]1 ZINC001130184927 839602040 /nfs/dbraw/zinc/60/20/40/839602040.db2.gz MVQKHUWNULQZFC-RWMBFGLXSA-N 1 1 351.407 -0.516 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2COCCO2)n1 ZINC001130184927 839602035 /nfs/dbraw/zinc/60/20/35/839602035.db2.gz MVQKHUWNULQZFC-RWMBFGLXSA-N 1 1 351.407 -0.516 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(=O)OC)n[nH]1 ZINC001130188077 839596841 /nfs/dbraw/zinc/59/68/41/839596841.db2.gz XPPXOSBTIBRHNE-QWRGUYRKSA-N 1 1 352.395 -0.575 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(=O)OC)n1 ZINC001130188077 839596832 /nfs/dbraw/zinc/59/68/32/839596832.db2.gz XPPXOSBTIBRHNE-QWRGUYRKSA-N 1 1 352.395 -0.575 20 30 FBEDMO COCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCC#N)n[nH]1 ZINC001130190555 839596036 /nfs/dbraw/zinc/59/60/36/839596036.db2.gz FVRGJYUSKFZOTA-RYUDHWBXSA-N 1 1 368.463 -0.214 20 30 FBEDMO COCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCC#N)n1 ZINC001130190555 839596030 /nfs/dbraw/zinc/59/60/30/839596030.db2.gz FVRGJYUSKFZOTA-RYUDHWBXSA-N 1 1 368.463 -0.214 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CS(C)(=O)=O)n[nH]1 ZINC001130190582 839596614 /nfs/dbraw/zinc/59/66/14/839596614.db2.gz GUGAJJLFUUXQFM-RYUDHWBXSA-N 1 1 371.463 -0.496 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CS(C)(=O)=O)n1 ZINC001130190582 839596606 /nfs/dbraw/zinc/59/66/06/839596606.db2.gz GUGAJJLFUUXQFM-RYUDHWBXSA-N 1 1 371.463 -0.496 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CN(C)C(C)=O)n[nH]1 ZINC001130190638 839596339 /nfs/dbraw/zinc/59/63/39/839596339.db2.gz IXERAKINLFYKQB-STQMWFEESA-N 1 1 350.423 -0.453 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CN(C)C(C)=O)n1 ZINC001130190638 839596330 /nfs/dbraw/zinc/59/63/30/839596330.db2.gz IXERAKINLFYKQB-STQMWFEESA-N 1 1 350.423 -0.453 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CS(C)(=O)=O)n[nH]1 ZINC001130190644 839596361 /nfs/dbraw/zinc/59/63/61/839596361.db2.gz IZYUFABNBPSBHA-QWRGUYRKSA-N 1 1 357.436 -0.886 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CS(C)(=O)=O)n1 ZINC001130190644 839596355 /nfs/dbraw/zinc/59/63/55/839596355.db2.gz IZYUFABNBPSBHA-QWRGUYRKSA-N 1 1 357.436 -0.886 20 30 FBEDMO N#CCSCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130190687 839597070 /nfs/dbraw/zinc/59/70/70/839597070.db2.gz KNRBRCNTHQQKFB-QWRGUYRKSA-N 1 1 354.436 -0.868 20 30 FBEDMO N#CCSCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130190687 839597067 /nfs/dbraw/zinc/59/70/67/839597067.db2.gz KNRBRCNTHQQKFB-QWRGUYRKSA-N 1 1 354.436 -0.868 20 30 FBEDMO N#CCSCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130190735 839595727 /nfs/dbraw/zinc/59/57/27/839595727.db2.gz MAKZQGKSDQUDER-RYUDHWBXSA-N 1 1 368.463 -0.478 20 30 FBEDMO N#CCSCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130190735 839595721 /nfs/dbraw/zinc/59/57/21/839595721.db2.gz MAKZQGKSDQUDER-RYUDHWBXSA-N 1 1 368.463 -0.478 20 30 FBEDMO C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCC#N)n[nH]1 ZINC001130190904 839595857 /nfs/dbraw/zinc/59/58/57/839595857.db2.gz SNQFGHOVUHBGBZ-SRVKXCTJSA-N 1 1 368.463 -0.479 20 30 FBEDMO C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCC#N)n1 ZINC001130190904 839595851 /nfs/dbraw/zinc/59/58/51/839595851.db2.gz SNQFGHOVUHBGBZ-SRVKXCTJSA-N 1 1 368.463 -0.479 20 30 FBEDMO C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCC#N)n[nH]1 ZINC001130190905 839596053 /nfs/dbraw/zinc/59/60/53/839596053.db2.gz SNQFGHOVUHBGBZ-WOPDTQHZSA-N 1 1 368.463 -0.479 20 30 FBEDMO C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCC#N)n1 ZINC001130190905 839596045 /nfs/dbraw/zinc/59/60/45/839596045.db2.gz SNQFGHOVUHBGBZ-WOPDTQHZSA-N 1 1 368.463 -0.479 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CS(C)(=O)=O)n[nH]1 ZINC001130190957 839596203 /nfs/dbraw/zinc/59/62/03/839596203.db2.gz WFFKOWQXFKDMBO-RYUDHWBXSA-N 1 1 371.463 -0.496 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CS(C)(=O)=O)n1 ZINC001130190957 839596195 /nfs/dbraw/zinc/59/61/95/839596195.db2.gz WFFKOWQXFKDMBO-RYUDHWBXSA-N 1 1 371.463 -0.496 20 30 FBEDMO C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)[nH]1 ZINC001130192972 839596800 /nfs/dbraw/zinc/59/68/00/839596800.db2.gz CULOSBRFKKFAMO-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[nH]1 ZINC001130193061 839597618 /nfs/dbraw/zinc/59/76/18/839597618.db2.gz HBOOZXYENOFZGU-SRVKXCTJSA-N 1 1 350.423 -0.277 20 30 FBEDMO C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[nH]1 ZINC001130193062 839598267 /nfs/dbraw/zinc/59/82/67/839598267.db2.gz HBOOZXYENOFZGU-WOPDTQHZSA-N 1 1 350.423 -0.277 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(=O)CC)n[nH]1 ZINC001130193473 839598579 /nfs/dbraw/zinc/59/85/79/839598579.db2.gz ZXXHMEDIJSRIQD-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(=O)CC)n1 ZINC001130193473 839598571 /nfs/dbraw/zinc/59/85/71/839598571.db2.gz ZXXHMEDIJSRIQD-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130198258 839598784 /nfs/dbraw/zinc/59/87/84/839598784.db2.gz CEYQQJAXCPSDAW-RYUDHWBXSA-N 1 1 350.423 -0.275 20 30 FBEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 ZINC001130198258 839598771 /nfs/dbraw/zinc/59/87/71/839598771.db2.gz CEYQQJAXCPSDAW-RYUDHWBXSA-N 1 1 350.423 -0.275 20 30 FBEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130198501 839600658 /nfs/dbraw/zinc/60/06/58/839600658.db2.gz NIACMYULXCJNAW-RYUDHWBXSA-N 1 1 350.423 -0.275 20 30 FBEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 ZINC001130198501 839600656 /nfs/dbraw/zinc/60/06/56/839600656.db2.gz NIACMYULXCJNAW-RYUDHWBXSA-N 1 1 350.423 -0.275 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCOC)n[nH]1 ZINC001130202553 839605696 /nfs/dbraw/zinc/60/56/96/839605696.db2.gz BTUORPQZKCSXPC-STQMWFEESA-N 1 1 353.423 -0.268 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCOC)n1 ZINC001130202553 839605690 /nfs/dbraw/zinc/60/56/90/839605690.db2.gz BTUORPQZKCSXPC-STQMWFEESA-N 1 1 353.423 -0.268 20 30 FBEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n1 ZINC001130202774 839605910 /nfs/dbraw/zinc/60/59/10/839605910.db2.gz KHZGGLAFUKOWAY-AGIUHOORSA-N 1 1 353.423 -0.534 20 30 FBEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n[nH]1 ZINC001130202774 839605905 /nfs/dbraw/zinc/60/59/05/839605905.db2.gz KHZGGLAFUKOWAY-AGIUHOORSA-N 1 1 353.423 -0.534 20 30 FBEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n1 ZINC001130202775 839605329 /nfs/dbraw/zinc/60/53/29/839605329.db2.gz KHZGGLAFUKOWAY-AVGNSLFASA-N 1 1 353.423 -0.534 20 30 FBEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n[nH]1 ZINC001130202775 839605324 /nfs/dbraw/zinc/60/53/24/839605324.db2.gz KHZGGLAFUKOWAY-AVGNSLFASA-N 1 1 353.423 -0.534 20 30 FBEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130202779 839605813 /nfs/dbraw/zinc/60/58/13/839605813.db2.gz KLQPHKNSCCGEKK-STQMWFEESA-N 1 1 353.423 -0.268 20 30 FBEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130202779 839605810 /nfs/dbraw/zinc/60/58/10/839605810.db2.gz KLQPHKNSCCGEKK-STQMWFEESA-N 1 1 353.423 -0.268 20 30 FBEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130203085 839602428 /nfs/dbraw/zinc/60/24/28/839602428.db2.gz SEIUTJPXISZAQC-STQMWFEESA-N 1 1 353.423 -0.532 20 30 FBEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130203085 839602423 /nfs/dbraw/zinc/60/24/23/839602423.db2.gz SEIUTJPXISZAQC-STQMWFEESA-N 1 1 353.423 -0.532 20 30 FBEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(N)=O)[nH]1 ZINC001130203227 839601634 /nfs/dbraw/zinc/60/16/34/839601634.db2.gz UMKBLSFAPFILAR-UWVGGRQHSA-N 1 1 356.814 -0.489 20 30 FBEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCOC)[nH]1 ZINC001130203365 839602204 /nfs/dbraw/zinc/60/22/04/839602204.db2.gz ZPWHEKYPGUXSMY-STQMWFEESA-N 1 1 351.407 -0.821 20 30 FBEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(=O)NC)[nH]1 ZINC001130204693 839602839 /nfs/dbraw/zinc/60/28/39/839602839.db2.gz FAZFRNKRWYCLJU-QWRGUYRKSA-N 1 1 370.841 -0.228 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(=O)NC)n[nH]1 ZINC001130204774 839601870 /nfs/dbraw/zinc/60/18/70/839601870.db2.gz KDRYSXNSHYCODR-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(=O)NC)n1 ZINC001130204774 839601864 /nfs/dbraw/zinc/60/18/64/839601864.db2.gz KDRYSXNSHYCODR-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)NC(N)=O)n[nH]1 ZINC001130204932 839601708 /nfs/dbraw/zinc/60/17/08/839601708.db2.gz NAUBNSZVUHOFMP-DCAQKATOSA-N 1 1 351.411 -0.874 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)NC(N)=O)n1 ZINC001130204932 839601705 /nfs/dbraw/zinc/60/17/05/839601705.db2.gz NAUBNSZVUHOFMP-DCAQKATOSA-N 1 1 351.411 -0.874 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(=O)NC)n[nH]1 ZINC001130205039 839604383 /nfs/dbraw/zinc/60/43/83/839604383.db2.gz QKEOOEYLRIPUSV-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(=O)NC)n1 ZINC001130205039 839604381 /nfs/dbraw/zinc/60/43/81/839604381.db2.gz QKEOOEYLRIPUSV-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(=O)NCC)n[nH]1 ZINC001130205179 839603627 /nfs/dbraw/zinc/60/36/27/839603627.db2.gz TYIWDHGOKHIULB-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(=O)NCC)n1 ZINC001130205179 839603624 /nfs/dbraw/zinc/60/36/24/839603624.db2.gz TYIWDHGOKHIULB-RYUDHWBXSA-N 1 1 350.423 -0.405 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2COC(=O)N2)n[nH]1 ZINC001130207463 839603783 /nfs/dbraw/zinc/60/37/83/839603783.db2.gz BIJSIRBCDPWNCF-AXFHLTTASA-N 1 1 350.379 -0.823 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001130207463 839603775 /nfs/dbraw/zinc/60/37/75/839603775.db2.gz BIJSIRBCDPWNCF-AXFHLTTASA-N 1 1 350.379 -0.823 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2COC(=O)N2)n[nH]1 ZINC001130207464 839604416 /nfs/dbraw/zinc/60/44/16/839604416.db2.gz BIJSIRBCDPWNCF-DCAQKATOSA-N 1 1 350.379 -0.823 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001130207464 839604414 /nfs/dbraw/zinc/60/44/14/839604414.db2.gz BIJSIRBCDPWNCF-DCAQKATOSA-N 1 1 350.379 -0.823 20 30 FBEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130207770 839604127 /nfs/dbraw/zinc/60/41/27/839604127.db2.gz OXAHZNUVRSCPAK-STQMWFEESA-N 1 1 353.398 -0.108 20 30 FBEDMO C#CCOCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130207770 839604121 /nfs/dbraw/zinc/60/41/21/839604121.db2.gz OXAHZNUVRSCPAK-STQMWFEESA-N 1 1 353.398 -0.108 20 30 FBEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130207801 839604318 /nfs/dbraw/zinc/60/43/18/839604318.db2.gz QBNFHJIQUFUIRY-AGIUHOORSA-N 1 1 353.398 -0.109 20 30 FBEDMO C#CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130207801 839604313 /nfs/dbraw/zinc/60/43/13/839604313.db2.gz QBNFHJIQUFUIRY-AGIUHOORSA-N 1 1 353.398 -0.109 20 30 FBEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130207802 839604555 /nfs/dbraw/zinc/60/45/55/839604555.db2.gz QBNFHJIQUFUIRY-AVGNSLFASA-N 1 1 353.398 -0.109 20 30 FBEDMO C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130207802 839604550 /nfs/dbraw/zinc/60/45/50/839604550.db2.gz QBNFHJIQUFUIRY-AVGNSLFASA-N 1 1 353.398 -0.109 20 30 FBEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130209500 839603862 /nfs/dbraw/zinc/60/38/62/839603862.db2.gz CWJOEQWVGCUSTI-MKBNYLNASA-N 1 1 353.423 -0.798 20 30 FBEDMO C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130209500 839603856 /nfs/dbraw/zinc/60/38/56/839603856.db2.gz CWJOEQWVGCUSTI-MKBNYLNASA-N 1 1 353.423 -0.798 20 30 FBEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130209501 839604149 /nfs/dbraw/zinc/60/41/49/839604149.db2.gz CWJOEQWVGCUSTI-MQIPJXDCSA-N 1 1 353.423 -0.798 20 30 FBEDMO C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130209501 839604143 /nfs/dbraw/zinc/60/41/43/839604143.db2.gz CWJOEQWVGCUSTI-MQIPJXDCSA-N 1 1 353.423 -0.798 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CS(=O)(=O)C2)n[nH]1 ZINC001130213003 839604261 /nfs/dbraw/zinc/60/42/61/839604261.db2.gz ORJSRBMEMGSRRG-RYUDHWBXSA-N 1 1 369.447 -0.886 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CS(=O)(=O)C2)n1 ZINC001130213003 839604257 /nfs/dbraw/zinc/60/42/57/839604257.db2.gz ORJSRBMEMGSRRG-RYUDHWBXSA-N 1 1 369.447 -0.886 20 30 FBEDMO C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[nH]1 ZINC001130216332 839605710 /nfs/dbraw/zinc/60/57/10/839605710.db2.gz TZKHBPGCEBUNIL-RYUDHWBXSA-N 1 1 350.423 -0.275 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)C(N)=O)n[nH]1 ZINC001130221064 839605510 /nfs/dbraw/zinc/60/55/10/839605510.db2.gz RNISIOQPVRFEHF-QWRGUYRKSA-N 1 1 350.423 -0.420 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(N)=O)n1 ZINC001130221064 839605504 /nfs/dbraw/zinc/60/55/04/839605504.db2.gz RNISIOQPVRFEHF-QWRGUYRKSA-N 1 1 350.423 -0.420 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)S(C)(=O)=O)n[nH]1 ZINC001130222735 839607742 /nfs/dbraw/zinc/60/77/42/839607742.db2.gz CLPFAVVMNWBPPI-SRVKXCTJSA-N 1 1 371.463 -0.498 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC001130222735 839607736 /nfs/dbraw/zinc/60/77/36/839607736.db2.gz CLPFAVVMNWBPPI-SRVKXCTJSA-N 1 1 371.463 -0.498 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)S(C)(=O)=O)n[nH]1 ZINC001130222736 839607203 /nfs/dbraw/zinc/60/72/03/839607203.db2.gz CLPFAVVMNWBPPI-WOPDTQHZSA-N 1 1 371.463 -0.498 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC001130222736 839607201 /nfs/dbraw/zinc/60/72/01/839607201.db2.gz CLPFAVVMNWBPPI-WOPDTQHZSA-N 1 1 371.463 -0.498 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCS(C)(=O)=O)n[nH]1 ZINC001130223427 839607820 /nfs/dbraw/zinc/60/78/20/839607820.db2.gz SZNRPITZDCDOBJ-RYUDHWBXSA-N 1 1 371.463 -0.496 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCS(C)(=O)=O)n1 ZINC001130223427 839607812 /nfs/dbraw/zinc/60/78/12/839607812.db2.gz SZNRPITZDCDOBJ-RYUDHWBXSA-N 1 1 371.463 -0.496 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CC(N)=O)n[nH]1 ZINC001130224840 839607195 /nfs/dbraw/zinc/60/71/95/839607195.db2.gz FDBLYZCIUWMPHJ-SRVKXCTJSA-N 1 1 350.423 -0.420 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CC(N)=O)n1 ZINC001130224840 839607192 /nfs/dbraw/zinc/60/71/92/839607192.db2.gz FDBLYZCIUWMPHJ-SRVKXCTJSA-N 1 1 350.423 -0.420 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CC(N)=O)n[nH]1 ZINC001130224841 839607011 /nfs/dbraw/zinc/60/70/11/839607011.db2.gz FDBLYZCIUWMPHJ-WOPDTQHZSA-N 1 1 350.423 -0.420 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CC(N)=O)n1 ZINC001130224841 839607009 /nfs/dbraw/zinc/60/70/09/839607009.db2.gz FDBLYZCIUWMPHJ-WOPDTQHZSA-N 1 1 350.423 -0.420 20 30 FBEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCC(F)F)[nH]1 ZINC001130225069 839607082 /nfs/dbraw/zinc/60/70/82/839607082.db2.gz QWVGQNRWUOANGS-QWRGUYRKSA-N 1 1 357.361 -0.202 20 30 FBEDMO C=CC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[nH]1 ZINC001130227982 839607130 /nfs/dbraw/zinc/60/71/30/839607130.db2.gz XVGKUCJFZVVGSR-QWRGUYRKSA-N 1 1 350.423 -0.420 20 30 FBEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2csc(=O)[nH]2)[nH]1 ZINC001130229732 839607480 /nfs/dbraw/zinc/60/74/80/839607480.db2.gz BXNLDNIRYQXLCV-ONGXEEELSA-N 1 1 362.415 -0.008 20 30 FBEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130233062 839609383 /nfs/dbraw/zinc/60/93/83/839609383.db2.gz XAIVONABDNAIIK-SRVKXCTJSA-N 1 1 350.423 -0.277 20 30 FBEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 ZINC001130233062 839609376 /nfs/dbraw/zinc/60/93/76/839609376.db2.gz XAIVONABDNAIIK-SRVKXCTJSA-N 1 1 350.423 -0.277 20 30 FBEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130233063 839609608 /nfs/dbraw/zinc/60/96/08/839609608.db2.gz XAIVONABDNAIIK-WOPDTQHZSA-N 1 1 350.423 -0.277 20 30 FBEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 ZINC001130233063 839609603 /nfs/dbraw/zinc/60/96/03/839609603.db2.gz XAIVONABDNAIIK-WOPDTQHZSA-N 1 1 350.423 -0.277 20 30 FBEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](COC)OC)[nH]1 ZINC001130234712 839609483 /nfs/dbraw/zinc/60/94/83/839609483.db2.gz IUEWVQYWRYYTCN-AVGNSLFASA-N 1 1 351.407 -0.822 20 30 FBEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](COC)OC)[nH]1 ZINC001130234714 839609908 /nfs/dbraw/zinc/60/99/08/839609908.db2.gz IUEWVQYWRYYTCN-RWMBFGLXSA-N 1 1 351.407 -0.822 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](COC)OC)n[nH]1 ZINC001130234956 839609950 /nfs/dbraw/zinc/60/99/50/839609950.db2.gz QXEVUOGWIROCPW-AVGNSLFASA-N 1 1 353.423 -0.270 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](COC)OC)n1 ZINC001130234956 839609944 /nfs/dbraw/zinc/60/99/44/839609944.db2.gz QXEVUOGWIROCPW-AVGNSLFASA-N 1 1 353.423 -0.270 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](COC)OC)n[nH]1 ZINC001130235010 839609622 /nfs/dbraw/zinc/60/96/22/839609622.db2.gz QXEVUOGWIROCPW-RWMBFGLXSA-N 1 1 353.423 -0.270 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](COC)OC)n1 ZINC001130235010 839609618 /nfs/dbraw/zinc/60/96/18/839609618.db2.gz QXEVUOGWIROCPW-RWMBFGLXSA-N 1 1 353.423 -0.270 20 30 FBEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(F)CCOC2)[nH]1 ZINC001130235227 839609407 /nfs/dbraw/zinc/60/94/07/839609407.db2.gz ZTMSRKZZCGXHHK-MKBNYLNASA-N 1 1 351.382 -0.355 20 30 FBEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(F)CCOC2)[nH]1 ZINC001130235228 839609667 /nfs/dbraw/zinc/60/96/67/839609667.db2.gz ZTMSRKZZCGXHHK-MQIPJXDCSA-N 1 1 351.382 -0.355 20 30 FBEDMO C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[nH]1 ZINC001130237957 839609637 /nfs/dbraw/zinc/60/96/37/839609637.db2.gz LZZPEYDHLNHKNP-RYUDHWBXSA-N 1 1 350.423 -0.275 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(=O)N(C)C)n[nH]1 ZINC001130242311 839611680 /nfs/dbraw/zinc/61/16/80/839611680.db2.gz QPRJRUAINMLAEU-RYUDHWBXSA-N 1 1 350.423 -0.453 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(=O)N(C)C)n1 ZINC001130242311 839611675 /nfs/dbraw/zinc/61/16/75/839611675.db2.gz QPRJRUAINMLAEU-RYUDHWBXSA-N 1 1 350.423 -0.453 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCNC(N)=O)n[nH]1 ZINC001130249204 839611369 /nfs/dbraw/zinc/61/13/69/839611369.db2.gz PCDVBPDEXWYGDK-QWRGUYRKSA-N 1 1 351.411 -0.873 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCNC(N)=O)n1 ZINC001130249204 839611365 /nfs/dbraw/zinc/61/13/65/839611365.db2.gz PCDVBPDEXWYGDK-QWRGUYRKSA-N 1 1 351.411 -0.873 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CS(=O)(=O)CC)n[nH]1 ZINC001130251362 839613258 /nfs/dbraw/zinc/61/32/58/839613258.db2.gz QAKYTBMQWVUPNC-RYUDHWBXSA-N 1 1 371.463 -0.496 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CS(=O)(=O)CC)n1 ZINC001130251362 839613254 /nfs/dbraw/zinc/61/32/54/839613254.db2.gz QAKYTBMQWVUPNC-RYUDHWBXSA-N 1 1 371.463 -0.496 20 30 FBEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130251451 839612983 /nfs/dbraw/zinc/61/29/83/839612983.db2.gz VPUDOUKDQXKERQ-STQMWFEESA-N 1 1 353.423 -0.532 20 30 FBEDMO C=CCCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130251451 839612978 /nfs/dbraw/zinc/61/29/78/839612978.db2.gz VPUDOUKDQXKERQ-STQMWFEESA-N 1 1 353.423 -0.532 20 30 FBEDMO C=CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130251457 839613351 /nfs/dbraw/zinc/61/33/51/839613351.db2.gz VYIAUYLPWHIJOM-AGIUHOORSA-N 1 1 353.423 -0.534 20 30 FBEDMO C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130251457 839613348 /nfs/dbraw/zinc/61/33/48/839613348.db2.gz VYIAUYLPWHIJOM-AGIUHOORSA-N 1 1 353.423 -0.534 20 30 FBEDMO C=CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130251458 839612869 /nfs/dbraw/zinc/61/28/69/839612869.db2.gz VYIAUYLPWHIJOM-AVGNSLFASA-N 1 1 353.423 -0.534 20 30 FBEDMO C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130251458 839612863 /nfs/dbraw/zinc/61/28/63/839612863.db2.gz VYIAUYLPWHIJOM-AVGNSLFASA-N 1 1 353.423 -0.534 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC(N)=O)n[nH]1 ZINC001130253919 839613238 /nfs/dbraw/zinc/61/32/38/839613238.db2.gz WEVVBUVDMHRDPA-RYUDHWBXSA-N 1 1 350.423 -0.275 20 30 FBEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC(N)=O)n1 ZINC001130253919 839613234 /nfs/dbraw/zinc/61/32/34/839613234.db2.gz WEVVBUVDMHRDPA-RYUDHWBXSA-N 1 1 350.423 -0.275 20 30 FBEDMO C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CNC(N)=O)CC1 ZINC001130271851 839614904 /nfs/dbraw/zinc/61/49/04/839614904.db2.gz WXUDLDQAIXOWGF-DOMZBBRYSA-N 1 1 371.869 -0.117 20 30 FBEDMO N#CCSCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130274703 839615466 /nfs/dbraw/zinc/61/54/66/839615466.db2.gz ZOYPTRUCWGEHRB-WBMJQRKESA-N 1 1 367.475 -0.796 20 30 FBEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CS(C)(=O)=O)CC1 ZINC001130276966 839615488 /nfs/dbraw/zinc/61/54/88/839615488.db2.gz WOXOALQMRQEDQR-CJNGLKHVSA-N 1 1 357.476 -0.308 20 30 FBEDMO C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130279125 839616550 /nfs/dbraw/zinc/61/65/50/839616550.db2.gz SRPNBXXSWHPRAO-DYVFJYSZSA-N 1 1 352.435 -0.850 20 30 FBEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1c1cn(C)cn1 ZINC001130604539 839631846 /nfs/dbraw/zinc/63/18/46/839631846.db2.gz GUHQWGXJGIAHCA-WCQYABFASA-N 1 1 354.842 -0.014 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(C)=O)n[nH]2)O1 ZINC001130746275 839640471 /nfs/dbraw/zinc/64/04/71/839640471.db2.gz AAUZHPRLRUUKAW-QWHCGFSZSA-N 1 1 350.423 -0.057 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(C)=O)n[nH]2)O1 ZINC001130746910 839641621 /nfs/dbraw/zinc/64/16/21/839641621.db2.gz MXUZJDYEYRLSJI-QWHCGFSZSA-N 1 1 350.423 -0.057 20 30 FBEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(C)=O)n[nH]2)O1 ZINC001130747133 839641978 /nfs/dbraw/zinc/64/19/78/839641978.db2.gz PZVKNAAXFHMYEY-KGYLQXTDSA-N 1 1 350.423 -0.059 20 30 FBEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(C)=O)n[nH]2)O1 ZINC001130747135 839641709 /nfs/dbraw/zinc/64/17/09/839641709.db2.gz PZVKNAAXFHMYEY-WCFLWFBJSA-N 1 1 350.423 -0.059 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)NC(C)=O)n[nH]2)O1 ZINC001130752852 839641589 /nfs/dbraw/zinc/64/15/89/839641589.db2.gz DJYLXVZESYZMOT-KGYLQXTDSA-N 1 1 350.423 -0.059 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)NC(C)=O)n[nH]2)O1 ZINC001130752853 839642038 /nfs/dbraw/zinc/64/20/38/839642038.db2.gz DJYLXVZESYZMOT-WCFLWFBJSA-N 1 1 350.423 -0.059 20 30 FBEDMO COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC)n[nH]2)O1 ZINC001130753144 839643245 /nfs/dbraw/zinc/64/32/45/839643245.db2.gz SWOGCIHGVHMHRX-QWHCGFSZSA-N 1 1 351.407 -0.473 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(N)=O)n[nH]2)O1 ZINC001130756380 839643376 /nfs/dbraw/zinc/64/33/76/839643376.db2.gz DCRVUTKDKNBNPT-WDEREUQCSA-N 1 1 351.411 -0.525 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(N)=O)n[nH]2)O1 ZINC001130756719 839645129 /nfs/dbraw/zinc/64/51/29/839645129.db2.gz WXAMLAFUUDSPGE-WDEREUQCSA-N 1 1 351.411 -0.525 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3COCCO3)n[nH]2)O1 ZINC001130757634 839645169 /nfs/dbraw/zinc/64/51/69/839645169.db2.gz DGFNPSVTWOARHJ-XQQFMLRXSA-N 1 1 351.407 -0.168 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3COCCO3)n[nH]2)O1 ZINC001130757635 839644669 /nfs/dbraw/zinc/64/46/69/839644669.db2.gz DGFNPSVTWOARHJ-YNEHKIRRSA-N 1 1 351.407 -0.168 20 30 FBEDMO N#CCSCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130758326 839645069 /nfs/dbraw/zinc/64/50/69/839645069.db2.gz XJZGFBHEVKBMTI-WDEREUQCSA-N 1 1 354.436 -0.520 20 30 FBEDMO C[C@@H](O)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSCC#N)n[nH]2)O1 ZINC001130758331 839645103 /nfs/dbraw/zinc/64/51/03/839645103.db2.gz XPGHETAHOPOYFK-GRYCIOLGSA-N 1 1 368.463 -0.132 20 30 FBEDMO C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSCC#N)n[nH]2)O1 ZINC001130758332 839645116 /nfs/dbraw/zinc/64/51/16/839645116.db2.gz XPGHETAHOPOYFK-SDDRHHMPSA-N 1 1 368.463 -0.132 20 30 FBEDMO N#CCSCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n1 ZINC001130758352 839644599 /nfs/dbraw/zinc/64/45/99/839644599.db2.gz YJHGBBYLAVDJMN-NWDGAFQWSA-N 1 1 368.463 -0.130 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CN(C)C(C)=O)n[nH]2)O1 ZINC001130758361 839644846 /nfs/dbraw/zinc/64/48/46/839644846.db2.gz YYOODSYUIYTGBM-QWHCGFSZSA-N 1 1 350.423 -0.105 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(=O)OC)n[nH]2)O1 ZINC001130759780 839645050 /nfs/dbraw/zinc/64/50/50/839645050.db2.gz LFKKOAGCTCDLSK-WDEREUQCSA-N 1 1 352.395 -0.227 20 30 FBEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(=O)OC)n[nH]2)O1 ZINC001130759972 839644235 /nfs/dbraw/zinc/64/42/35/839644235.db2.gz SZPWVTJQBKKWQW-WDEREUQCSA-N 1 1 350.379 -0.780 20 30 FBEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CS(C)(=O)=O)n[nH]2)O1 ZINC001130765322 839646396 /nfs/dbraw/zinc/64/63/96/839646396.db2.gz NDXYMEOHYGBIHW-NWDGAFQWSA-N 1 1 369.447 -0.702 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CS(C)(=O)=O)n[nH]2)O1 ZINC001130765325 839646275 /nfs/dbraw/zinc/64/62/75/839646275.db2.gz NQAIPXIPUJINEY-NWDGAFQWSA-N 1 1 371.463 -0.149 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CS(C)(=O)=O)n[nH]2)O1 ZINC001130765486 839646428 /nfs/dbraw/zinc/64/64/28/839646428.db2.gz UUQFIBLYSBQRFC-WDEREUQCSA-N 1 1 357.436 -0.539 20 30 FBEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CS(C)(=O)=O)n[nH]2)O1 ZINC001130765507 839646027 /nfs/dbraw/zinc/64/60/27/839646027.db2.gz VVKUQDPJRXUCDD-NWDGAFQWSA-N 1 1 369.447 -0.702 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CS(C)(=O)=O)n[nH]2)O1 ZINC001130765613 839646494 /nfs/dbraw/zinc/64/64/94/839646494.db2.gz ZRRBHYZESUWPPN-NWDGAFQWSA-N 1 1 371.463 -0.149 20 30 FBEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n1 ZINC001130768001 839646073 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APHLJZHBNXKSEB-HWWQOWPSSA-N 1 1 353.423 -0.450 20 30 FBEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130778012 839647595 /nfs/dbraw/zinc/64/75/95/839647595.db2.gz APHLJZHBNXKSEB-OZVIIMIRSA-N 1 1 353.423 -0.450 20 30 FBEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(=O)NC)n[nH]2)O1 ZINC001130778163 839647131 /nfs/dbraw/zinc/64/71/31/839647131.db2.gz JETLTCJCLZWEQB-NWDGAFQWSA-N 1 1 350.423 -0.057 20 30 FBEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(=O)NC)n[nH]2)O1 ZINC001130778270 839647608 /nfs/dbraw/zinc/64/76/08/839647608.db2.gz OKLNAFZJXFGKJF-NWDGAFQWSA-N 1 1 350.423 -0.057 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)NC(N)=O)n[nH]2)O1 ZINC001130778319 839647646 /nfs/dbraw/zinc/64/76/46/839647646.db2.gz QXCDTENCENVUIH-GARJFASQSA-N 1 1 351.411 -0.527 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(=O)NCC)n[nH]2)O1 ZINC001130778351 839647833 /nfs/dbraw/zinc/64/78/33/839647833.db2.gz STXLAUBMLBTLNF-NWDGAFQWSA-N 1 1 350.423 -0.057 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3COC(=O)N3)n[nH]2)O1 ZINC001130780937 839648914 /nfs/dbraw/zinc/64/89/14/839648914.db2.gz GSGXHLQXJMZPCT-GARJFASQSA-N 1 1 350.379 -0.475 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3COC(=O)N3)n[nH]2)O1 ZINC001130780938 839648830 /nfs/dbraw/zinc/64/88/30/839648830.db2.gz GSGXHLQXJMZPCT-HBNTYKKESA-N 1 1 350.379 -0.475 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(=O)NC)n[nH]2)O1 ZINC001130785003 839647234 /nfs/dbraw/zinc/64/72/34/839647234.db2.gz AFCUXKWIDBMRQZ-WDEREUQCSA-N 1 1 351.411 -0.654 20 30 FBEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130785022 839647911 /nfs/dbraw/zinc/64/79/11/839647911.db2.gz AXRQCUNPDMCKNZ-QWHCGFSZSA-N 1 1 351.407 -0.737 20 30 FBEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130785023 839647634 /nfs/dbraw/zinc/64/76/34/839647634.db2.gz AZBYGFBFLIVJFP-FRRDWIJNSA-N 1 1 351.407 -0.739 20 30 FBEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130785024 839647692 /nfs/dbraw/zinc/64/76/92/839647692.db2.gz AZBYGFBFLIVJFP-RWMBFGLXSA-N 1 1 351.407 -0.739 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)C(N)=O)n[nH]2)O1 ZINC001130787176 839648407 /nfs/dbraw/zinc/64/84/07/839648407.db2.gz CTIFADQBMRILIT-WDEREUQCSA-N 1 1 350.423 -0.072 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CS(=O)(=O)C3)n[nH]2)O1 ZINC001130787366 839649114 /nfs/dbraw/zinc/64/91/14/839649114.db2.gz NDHLQQUKAUBOPK-NWDGAFQWSA-N 1 1 369.447 -0.539 20 30 FBEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCS(C)(=O)=O)n[nH]2)O1 ZINC001130790082 839649874 /nfs/dbraw/zinc/64/98/74/839649874.db2.gz GUTXQDXAUDIDNS-NWDGAFQWSA-N 1 1 369.447 -0.702 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCS(C)(=O)=O)n[nH]2)O1 ZINC001130790098 839649861 /nfs/dbraw/zinc/64/98/61/839649861.db2.gz HNDJLTFMXYVESG-NWDGAFQWSA-N 1 1 371.463 -0.149 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)S(C)(=O)=O)n[nH]2)O1 ZINC001130790180 839650329 /nfs/dbraw/zinc/65/03/29/839650329.db2.gz LNESHLGBLYKYHU-GRYCIOLGSA-N 1 1 371.463 -0.150 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)S(C)(=O)=O)n[nH]2)O1 ZINC001130790181 839650395 /nfs/dbraw/zinc/65/03/95/839650395.db2.gz LNESHLGBLYKYHU-SDDRHHMPSA-N 1 1 371.463 -0.150 20 30 FBEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)S(C)(=O)=O)n[nH]2)O1 ZINC001130790231 839650407 /nfs/dbraw/zinc/65/04/07/839650407.db2.gz OJOVGJPXNADYRG-GRYCIOLGSA-N 1 1 369.447 -0.703 20 30 FBEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)S(C)(=O)=O)n[nH]2)O1 ZINC001130790232 839649826 /nfs/dbraw/zinc/64/98/26/839649826.db2.gz OJOVGJPXNADYRG-SDDRHHMPSA-N 1 1 369.447 -0.703 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CC(N)=O)n[nH]2)O1 ZINC001130799475 839651356 /nfs/dbraw/zinc/65/13/56/839651356.db2.gz ITWGJDVGBCDMSZ-GRYCIOLGSA-N 1 1 350.423 -0.072 20 30 FBEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CC(N)=O)n[nH]2)O1 ZINC001130799476 839651574 /nfs/dbraw/zinc/65/15/74/839651574.db2.gz ITWGJDVGBCDMSZ-SDDRHHMPSA-N 1 1 350.423 -0.072 20 30 FBEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@]3(F)CCOC3)n[nH]2)O1 ZINC001130802326 839651869 /nfs/dbraw/zinc/65/18/69/839651869.db2.gz OLJNVUVADIBOBR-HWWQOWPSSA-N 1 1 351.382 -0.008 20 30 FBEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@]3(F)CCOC3)n[nH]2)O1 ZINC001130802327 839651590 /nfs/dbraw/zinc/65/15/90/839651590.db2.gz OLJNVUVADIBOBR-OZVIIMIRSA-N 1 1 351.382 -0.008 20 30 FBEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](COC)OC)n[nH]2)O1 ZINC001130804872 839650488 /nfs/dbraw/zinc/65/04/88/839650488.db2.gz RBJAEXLLJYCBNO-XQQFMLRXSA-N 1 1 351.407 -0.475 20 30 FBEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](COC)OC)n[nH]2)O1 ZINC001130804873 839650220 /nfs/dbraw/zinc/65/02/20/839650220.db2.gz RBJAEXLLJYCBNO-YNEHKIRRSA-N 1 1 351.407 -0.475 20 30 FBEDMO 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C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCC)C1 ZINC001192426871 840925148 /nfs/dbraw/zinc/92/51/48/840925148.db2.gz TVZYKYYFYIHBNR-MJBXVCDLSA-N 1 1 352.435 -0.044 20 30 FBEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCC)C1 ZINC001192426871 840925141 /nfs/dbraw/zinc/92/51/41/840925141.db2.gz TVZYKYYFYIHBNR-MJBXVCDLSA-N 1 1 352.435 -0.044 20 30 FBEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001192510630 840936027 /nfs/dbraw/zinc/93/60/27/840936027.db2.gz OCVOVUYAFKRMQR-JHJVBQTASA-N 1 1 352.353 -0.109 20 30 FBEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001192510632 840936411 /nfs/dbraw/zinc/93/64/11/840936411.db2.gz OCVOVUYAFKRMQR-YNEHKIRRSA-N 1 1 352.353 -0.109 20 30 FBEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001192511306 840936202 /nfs/dbraw/zinc/93/62/02/840936202.db2.gz ZVFWDRYSUZLCGJ-RBSFLKMASA-N 1 1 357.476 -0.767 20 30 FBEDMO 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C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001206887398 844000785 /nfs/dbraw/zinc/00/07/85/844000785.db2.gz JPCMQBWOHBQIST-ZIAGYGMSSA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001206887398 844000781 /nfs/dbraw/zinc/00/07/81/844000781.db2.gz JPCMQBWOHBQIST-ZIAGYGMSSA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1C ZINC001206887439 844001364 /nfs/dbraw/zinc/00/13/64/844001364.db2.gz LDJCOFROMKABHF-QLFBSQMISA-N 1 1 350.463 -0.277 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1C ZINC001206887439 844001356 /nfs/dbraw/zinc/00/13/56/844001356.db2.gz LDJCOFROMKABHF-QLFBSQMISA-N 1 1 350.463 -0.277 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1C ZINC001206887440 844001513 /nfs/dbraw/zinc/00/15/13/844001513.db2.gz LDJCOFROMKABHF-RBSFLKMASA-N 1 1 350.463 -0.277 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1C ZINC001206887440 844001505 /nfs/dbraw/zinc/00/15/05/844001505.db2.gz LDJCOFROMKABHF-RBSFLKMASA-N 1 1 350.463 -0.277 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001206887526 844001491 /nfs/dbraw/zinc/00/14/91/844001491.db2.gz PEQJGEQFJZLRQS-QLFBSQMISA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001206887526 844001483 /nfs/dbraw/zinc/00/14/83/844001483.db2.gz PEQJGEQFJZLRQS-QLFBSQMISA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001206887527 844000912 /nfs/dbraw/zinc/00/09/12/844000912.db2.gz PEQJGEQFJZLRQS-RBSFLKMASA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001206887527 844000904 /nfs/dbraw/zinc/00/09/04/844000904.db2.gz PEQJGEQFJZLRQS-RBSFLKMASA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1C ZINC001206887591 844000772 /nfs/dbraw/zinc/00/07/72/844000772.db2.gz RNWMBUAYCPFLNA-ZIAGYGMSSA-N 1 1 350.463 -0.133 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1C ZINC001206887591 844000767 /nfs/dbraw/zinc/00/07/67/844000767.db2.gz RNWMBUAYCPFLNA-ZIAGYGMSSA-N 1 1 350.463 -0.133 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001206887606 844001439 /nfs/dbraw/zinc/00/14/39/844001439.db2.gz SLDLJIOWOAITSR-QLFBSQMISA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001206887606 844001433 /nfs/dbraw/zinc/00/14/33/844001433.db2.gz SLDLJIOWOAITSR-QLFBSQMISA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001206887607 844001774 /nfs/dbraw/zinc/00/17/74/844001774.db2.gz SLDLJIOWOAITSR-RBSFLKMASA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001206887607 844001765 /nfs/dbraw/zinc/00/17/65/844001765.db2.gz SLDLJIOWOAITSR-RBSFLKMASA-N 1 1 369.487 -0.613 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001206891949 844001610 /nfs/dbraw/zinc/00/16/10/844001610.db2.gz PISWQUFGZTYFDH-ZIAGYGMSSA-N 1 1 351.451 -0.730 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1C ZINC001206892074 844001721 /nfs/dbraw/zinc/00/17/21/844001721.db2.gz VUPSENIFIDTYJQ-ZIAGYGMSSA-N 1 1 350.463 -0.275 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1C ZINC001206892074 844001714 /nfs/dbraw/zinc/00/17/14/844001714.db2.gz VUPSENIFIDTYJQ-ZIAGYGMSSA-N 1 1 350.463 -0.275 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001206892118 844000996 /nfs/dbraw/zinc/00/09/96/844000996.db2.gz XSKOBNQXECTTBB-TZMCWYRMSA-N 1 1 364.471 -0.206 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001206892132 844001182 /nfs/dbraw/zinc/00/11/82/844001182.db2.gz YHWQJWUQKPRIKX-BZUAXINKSA-N 1 1 351.447 -0.242 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1C ZINC001206892133 844002254 /nfs/dbraw/zinc/00/22/54/844002254.db2.gz YHWQJWUQKPRIKX-OWCLPIDISA-N 1 1 351.447 -0.242 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001206892658 844002443 /nfs/dbraw/zinc/00/24/43/844002443.db2.gz BBWBRGQFSMGTTJ-BZUAXINKSA-N 1 1 353.463 -0.404 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001206892659 844002268 /nfs/dbraw/zinc/00/22/68/844002268.db2.gz BBWBRGQFSMGTTJ-OWCLPIDISA-N 1 1 353.463 -0.404 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(CC)CC)C[C@H]1C ZINC001206892667 844002913 /nfs/dbraw/zinc/00/29/13/844002913.db2.gz BLZMDHRUZUVLEB-UKRRQHHQSA-N 1 1 350.463 -0.133 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(CC)CC)C[C@H]1C ZINC001206892667 844002904 /nfs/dbraw/zinc/00/29/04/844002904.db2.gz BLZMDHRUZUVLEB-UKRRQHHQSA-N 1 1 350.463 -0.133 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1C ZINC001206892730 844002627 /nfs/dbraw/zinc/00/26/27/844002627.db2.gz FLDCQVIIUIXCBU-QLFBSQMISA-N 1 1 350.463 -0.181 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1C ZINC001206892731 844002484 /nfs/dbraw/zinc/00/24/84/844002484.db2.gz FLDCQVIIUIXCBU-RBSFLKMASA-N 1 1 350.463 -0.181 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCC)C[C@H]1C ZINC001206892747 844002889 /nfs/dbraw/zinc/00/28/89/844002889.db2.gz GIPYJRVOCKAZER-QLFBSQMISA-N 1 1 350.463 -0.133 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCC)C[C@H]1C ZINC001206892747 844002885 /nfs/dbraw/zinc/00/28/85/844002885.db2.gz GIPYJRVOCKAZER-QLFBSQMISA-N 1 1 350.463 -0.133 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCC)C[C@H]1C ZINC001206892748 844002793 /nfs/dbraw/zinc/00/27/93/844002793.db2.gz GIPYJRVOCKAZER-RBSFLKMASA-N 1 1 350.463 -0.133 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCC)C[C@H]1C ZINC001206892748 844002786 /nfs/dbraw/zinc/00/27/86/844002786.db2.gz GIPYJRVOCKAZER-RBSFLKMASA-N 1 1 350.463 -0.133 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001206892757 844003171 /nfs/dbraw/zinc/00/31/71/844003171.db2.gz GOFKNDMDEZDUTH-BFHYXJOUSA-N 1 1 357.476 -0.757 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001206892757 844003163 /nfs/dbraw/zinc/00/31/63/844003163.db2.gz GOFKNDMDEZDUTH-BFHYXJOUSA-N 1 1 357.476 -0.757 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001206892758 844002394 /nfs/dbraw/zinc/00/23/94/844002394.db2.gz GOFKNDMDEZDUTH-MGPQQGTHSA-N 1 1 357.476 -0.757 20 30 FBEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001206892758 844002389 /nfs/dbraw/zinc/00/23/89/844002389.db2.gz GOFKNDMDEZDUTH-MGPQQGTHSA-N 1 1 357.476 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