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C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+](C)C1CC1 ZINC000469317663 1074873166 /nfs/dbraw/zinc/87/31/66/1074873166.db2.gz YDXBOMKOGJDPDD-CYBMUJFWSA-N 1 1 392.460 -0.721 20 0 GAADMO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+](C)C1CC1 ZINC000469317702 1075684307 /nfs/dbraw/zinc/68/43/07/1075684307.db2.gz YDXBOMKOGJDPDD-ZDUSSCGKSA-N 1 1 392.460 -0.721 20 0 GAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000469352017 530130344 /nfs/dbraw/zinc/13/03/44/530130344.db2.gz MVASDEDQAOKWMC-CYBMUJFWSA-N 1 1 378.495 -1.343 20 0 GAADMO COCC[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000469352020 530130607 /nfs/dbraw/zinc/13/06/07/530130607.db2.gz MVASDEDQAOKWMC-ZDUSSCGKSA-N 1 1 378.495 -1.343 20 0 GAADMO C[C@@](O)(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)C[NH+]1CCOCC1 ZINC000469404218 1075684716 /nfs/dbraw/zinc/68/47/16/1075684716.db2.gz QFXQZGUKKMASTH-GOSISDBHSA-N 1 1 377.445 -1.169 20 0 GAADMO C[C@](O)(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)C[NH+]1CCOCC1 ZINC000469404219 1075684711 /nfs/dbraw/zinc/68/47/11/1075684711.db2.gz QFXQZGUKKMASTH-SFHVURJKSA-N 1 1 377.445 -1.169 20 0 GAADMO COCC[N@H+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1C ZINC000469546906 1075685382 /nfs/dbraw/zinc/68/53/82/1075685382.db2.gz KBAVONLLVAECAD-AWEZNQCLSA-N 1 1 392.522 -1.000 20 0 GAADMO COCC[N@@H+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1C ZINC000469546906 1075685378 /nfs/dbraw/zinc/68/53/78/1075685378.db2.gz KBAVONLLVAECAD-AWEZNQCLSA-N 1 1 392.522 -1.000 20 0 GAADMO COCC[N@H+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H]1C ZINC000469546907 1075685312 /nfs/dbraw/zinc/68/53/12/1075685312.db2.gz KBAVONLLVAECAD-CQSZACIVSA-N 1 1 392.522 -1.000 20 0 GAADMO COCC[N@@H+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H]1C ZINC000469546907 1075685309 /nfs/dbraw/zinc/68/53/09/1075685309.db2.gz KBAVONLLVAECAD-CQSZACIVSA-N 1 1 392.522 -1.000 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000469614682 1075685497 /nfs/dbraw/zinc/68/54/97/1075685497.db2.gz 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GAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000469638834 1075685775 /nfs/dbraw/zinc/68/57/75/1075685775.db2.gz YYOOBWCFBBNIPK-UHFFFAOYSA-N 1 1 392.416 -1.999 20 0 GAADMO COCCn1c(N)c(C(=O)CN2CCC[N@H+]([C@H](C)CO)CC2)c(=O)[nH]c1=O ZINC000469836561 1075686174 /nfs/dbraw/zinc/68/61/74/1075686174.db2.gz NRDXQLNTBCHRNF-GFCCVEGCSA-N 1 1 383.449 -1.251 20 0 GAADMO COCCn1c(N)c(C(=O)CN2CCC[N@H+]([C@@H](C)CO)CC2)c(=O)[nH]c1=O ZINC000469836562 1075686125 /nfs/dbraw/zinc/68/61/25/1075686125.db2.gz NRDXQLNTBCHRNF-LBPRGKRZSA-N 1 1 383.449 -1.251 20 0 GAADMO C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C[NH+]1CCOCC1 ZINC000469847961 1075686317 /nfs/dbraw/zinc/68/63/17/1075686317.db2.gz DEMWGGSSQJKSLJ-LLVKDONJSA-N 1 1 388.446 -1.259 20 0 GAADMO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C[NH+]1CCOCC1 ZINC000469847962 1075686227 /nfs/dbraw/zinc/68/62/27/1075686227.db2.gz DEMWGGSSQJKSLJ-NSHDSACASA-N 1 1 388.446 -1.259 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000469850298 1075686310 /nfs/dbraw/zinc/68/63/10/1075686310.db2.gz UVDFTVORNDDQGA-AWEZNQCLSA-N 1 1 392.522 -1.095 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000469850299 1075686285 /nfs/dbraw/zinc/68/62/85/1075686285.db2.gz UVDFTVORNDDQGA-CQSZACIVSA-N 1 1 392.522 -1.095 20 0 GAADMO C[C@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C[NH+]1CCOCC1 ZINC000469857500 1075686112 /nfs/dbraw/zinc/68/61/12/1075686112.db2.gz ZGYULSBCTCVFMR-LLVKDONJSA-N 1 1 387.462 -1.524 20 0 GAADMO C[C@@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C[NH+]1CCOCC1 ZINC000469857501 1075686257 /nfs/dbraw/zinc/68/62/57/1075686257.db2.gz ZGYULSBCTCVFMR-NSHDSACASA-N 1 1 387.462 -1.524 20 0 GAADMO C[C@@H](CNC(=O)CN1CCN(S(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000469869341 530131291 /nfs/dbraw/zinc/13/12/91/530131291.db2.gz FHXSPAZGRCENJX-HNNXBMFYSA-N 1 1 375.539 -1.437 20 0 GAADMO C[C@H](CNC(=O)CN1CCN(S(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000469869349 530130950 /nfs/dbraw/zinc/13/09/50/530130950.db2.gz 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C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C(N)=O)O1 ZINC000470024870 1075687339 /nfs/dbraw/zinc/68/73/39/1075687339.db2.gz QBUQFDUGHZJBRO-IUODEOHRSA-N 1 1 398.485 -1.043 20 0 GAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000470050432 1075687364 /nfs/dbraw/zinc/68/73/64/1075687364.db2.gz JRYRWCDPDZGVPE-CYBMUJFWSA-N 1 1 377.445 -1.046 20 0 GAADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000470050433 1075687287 /nfs/dbraw/zinc/68/72/87/1075687287.db2.gz JRYRWCDPDZGVPE-ZDUSSCGKSA-N 1 1 377.445 -1.046 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000470057506 1075687385 /nfs/dbraw/zinc/68/73/85/1075687385.db2.gz SHYPNXKLLVDJFP-AWEZNQCLSA-N 1 1 392.522 -1.264 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000470057507 1075687317 /nfs/dbraw/zinc/68/73/17/1075687317.db2.gz SHYPNXKLLVDJFP-CQSZACIVSA-N 1 1 392.522 -1.264 20 0 GAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470062367 1075687163 /nfs/dbraw/zinc/68/71/63/1075687163.db2.gz NVIXWFHVPHOWCE-CYBMUJFWSA-N 1 1 392.460 -1.261 20 0 GAADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470062368 1075687268 /nfs/dbraw/zinc/68/72/68/1075687268.db2.gz NVIXWFHVPHOWCE-ZDUSSCGKSA-N 1 1 392.460 -1.261 20 0 GAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470066074 1075687352 /nfs/dbraw/zinc/68/73/52/1075687352.db2.gz KQPSLPVZJFSQOG-GFCCVEGCSA-N 1 1 378.433 -1.651 20 0 GAADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470066075 1075687212 /nfs/dbraw/zinc/68/72/12/1075687212.db2.gz KQPSLPVZJFSQOG-LBPRGKRZSA-N 1 1 378.433 -1.651 20 0 GAADMO C[NH+](C)CCn1ccc(=NC(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)[nH]1 ZINC000470365322 1075688271 /nfs/dbraw/zinc/68/82/71/1075688271.db2.gz YSOPMVDFUDIBPZ-UHFFFAOYSA-N 1 1 390.448 -1.012 20 0 GAADMO CS(=O)(=O)N1CCN(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 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O=C(NCC1CCSCC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000580533504 530158144 /nfs/dbraw/zinc/15/81/44/530158144.db2.gz SWQWFLQOHQSJPB-UHFFFAOYSA-N 1 1 390.531 -1.308 20 0 GAADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CCN(C2CC2)CC1 ZINC000580536018 1073535645 /nfs/dbraw/zinc/53/56/45/1073535645.db2.gz DXNSAZCIMCTDLS-UHFFFAOYSA-N 1 1 381.521 -1.201 20 0 GAADMO Cc1nnc(CN(C)CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1C ZINC000580562696 1073536533 /nfs/dbraw/zinc/53/65/33/1073536533.db2.gz YMBLMGLUUBLYHS-UHFFFAOYSA-N 1 1 385.494 -1.999 20 0 GAADMO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000580626561 1073537763 /nfs/dbraw/zinc/53/77/63/1073537763.db2.gz FBJUQZJWVGDGCT-INIZCTEOSA-N 1 1 393.488 -1.704 20 0 GAADMO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000580626562 1073537859 /nfs/dbraw/zinc/53/78/59/1073537859.db2.gz FBJUQZJWVGDGCT-MRXNPFEDSA-N 1 1 393.488 -1.704 20 0 GAADMO CNc1nc(NCCC2(O)CCOCC2)[nH+]c(NCCC2(O)CCOCC2)n1 ZINC000580655422 1073537709 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393.469 -1.214 20 0 GAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000581211389 1073551069 /nfs/dbraw/zinc/55/10/69/1073551069.db2.gz FVAYWTNISGROHH-UHFFFAOYSA-N 1 1 397.520 -1.163 20 0 GAADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C[NH+]1CCOCC1 ZINC000581257152 1073552918 /nfs/dbraw/zinc/55/29/18/1073552918.db2.gz UNKATKIDUISANF-UONOGXRCSA-N 1 1 390.506 -1.389 20 0 GAADMO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C[NH+]1CCOCC1 ZINC000581257155 1073552716 /nfs/dbraw/zinc/55/27/16/1073552716.db2.gz UNKATKIDUISANF-ZIAGYGMSSA-N 1 1 390.506 -1.389 20 0 GAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000581267477 1073553375 /nfs/dbraw/zinc/55/33/75/1073553375.db2.gz PXFGOETVJJPUBM-CVEARBPZSA-N 1 1 395.504 -1.412 20 0 GAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000581267478 1073553465 /nfs/dbraw/zinc/55/34/65/1073553465.db2.gz PXFGOETVJJPUBM-HOTGVXAUSA-N 1 1 395.504 -1.412 20 0 GAADMO 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CO[C@@H]1COCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581478732 530168397 /nfs/dbraw/zinc/16/83/97/530168397.db2.gz WWULBRQAVGBSKU-GXTWGEPZSA-N 1 1 376.479 -1.333 20 0 GAADMO CO[C@H]1COCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581478733 530167877 /nfs/dbraw/zinc/16/78/77/530167877.db2.gz WWULBRQAVGBSKU-JSGCOSHPSA-N 1 1 376.479 -1.333 20 0 GAADMO CO[C@H]1COCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581478734 530168330 /nfs/dbraw/zinc/16/83/30/530168330.db2.gz WWULBRQAVGBSKU-OCCSQVGLSA-N 1 1 376.479 -1.333 20 0 GAADMO CO[C@@H]1COCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581478735 530168433 /nfs/dbraw/zinc/16/84/33/530168433.db2.gz WWULBRQAVGBSKU-TZMCWYRMSA-N 1 1 376.479 -1.333 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2nc(N)nc(N(C)C)n2)CC1=O ZINC000581555417 1073560490 /nfs/dbraw/zinc/56/04/90/1073560490.db2.gz SYWHQSZVXRTKOZ-LLVKDONJSA-N 1 1 380.453 -1.571 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2nc(N)nc(N(C)C)n2)CC1=O ZINC000581555418 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COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)CC1=O ZINC000644465300 1074312320 /nfs/dbraw/zinc/31/23/20/1074312320.db2.gz FTEWTTKLMLOSIZ-GJZGRUSLSA-N 1 1 393.492 -1.304 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2Cn3c(C)nnc3CN2C)CC1=O ZINC000644465302 1074312189 /nfs/dbraw/zinc/31/21/89/1074312189.db2.gz FTEWTTKLMLOSIZ-HUUCEWRRSA-N 1 1 393.492 -1.304 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2Cn3c(C)nnc3CN2C)CC1=O ZINC000644465304 1074312170 /nfs/dbraw/zinc/31/21/70/1074312170.db2.gz FTEWTTKLMLOSIZ-LSDHHAIUSA-N 1 1 393.492 -1.304 20 0 GAADMO CN1C(=O)CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O ZINC000644831546 1073930533 /nfs/dbraw/zinc/93/05/33/1073930533.db2.gz AVEADJLBBAQUJA-KBPBESRZSA-N 1 1 380.445 -1.037 20 0 GAADMO CN1C(=O)CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O ZINC000644831548 1073930523 /nfs/dbraw/zinc/93/05/23/1073930523.db2.gz AVEADJLBBAQUJA-KGLIPLIRSA-N 1 1 380.445 -1.037 20 0 GAADMO 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Cn1ccc(NC(=O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000647622823 1074888581 /nfs/dbraw/zinc/88/85/81/1074888581.db2.gz XYXDYUXPUNJBRS-AWEZNQCLSA-N 1 1 392.460 -0.812 20 0 GAADMO Cn1ccc(NC(=O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000647622824 1074888541 /nfs/dbraw/zinc/88/85/41/1074888541.db2.gz XYXDYUXPUNJBRS-CQSZACIVSA-N 1 1 392.460 -0.812 20 0 GAADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H](CO)CN1CCOCC1 ZINC000647662340 1073805287 /nfs/dbraw/zinc/80/52/87/1073805287.db2.gz XUXRHCHWJDCLKF-DLBZAZTESA-N 1 1 398.504 -1.491 20 0 GAADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H](CO)CN1CCOCC1 ZINC000647662341 1073805239 /nfs/dbraw/zinc/80/52/39/1073805239.db2.gz XUXRHCHWJDCLKF-IAGOWNOFSA-N 1 1 398.504 -1.491 20 0 GAADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H](CO)CN1CCOCC1 ZINC000647662342 1075825145 /nfs/dbraw/zinc/82/51/45/1075825145.db2.gz XUXRHCHWJDCLKF-IRXDYDNUSA-N 1 1 398.504 -1.491 20 0 GAADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H](CO)CN1CCOCC1 ZINC000647662343 1073805353 /nfs/dbraw/zinc/80/53/53/1073805353.db2.gz XUXRHCHWJDCLKF-SJORKVTESA-N 1 1 398.504 -1.491 20 0 GAADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000647677951 1075825592 /nfs/dbraw/zinc/82/55/92/1075825592.db2.gz JBAKWRGQOHVHJT-DLBZAZTESA-N 1 1 379.505 -1.327 20 0 GAADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000647677952 1075825683 /nfs/dbraw/zinc/82/56/83/1075825683.db2.gz JBAKWRGQOHVHJT-IAGOWNOFSA-N 1 1 379.505 -1.327 20 0 GAADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000647677953 1075825608 /nfs/dbraw/zinc/82/56/08/1075825608.db2.gz JBAKWRGQOHVHJT-IRXDYDNUSA-N 1 1 379.505 -1.327 20 0 GAADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000647677954 1075825643 /nfs/dbraw/zinc/82/56/43/1075825643.db2.gz JBAKWRGQOHVHJT-SJORKVTESA-N 1 1 379.505 -1.327 20 0 GAADMO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706025 1073899890 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GLNMGZDEESFQRR-AYRXBEOTSA-N 1 1 392.456 -1.182 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCNC(=O)C4)[C@@H]3C2)CC[N@H+]1C ZINC001022344235 1073573819 /nfs/dbraw/zinc/57/38/19/1073573819.db2.gz ATFYDOFKUXPLTJ-QKPAOTATSA-N 1 1 377.489 -1.182 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCNC(=O)C4)[C@@H]3C2)O1 ZINC001022345189 1073573793 /nfs/dbraw/zinc/57/37/93/1073573793.db2.gz PPCBWEZHUZZFJF-QKPAOTATSA-N 1 1 393.488 -1.803 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCNC(=O)C4)[C@@H]3C2)O1 ZINC001022345189 1073573780 /nfs/dbraw/zinc/57/37/80/1073573780.db2.gz PPCBWEZHUZZFJF-QKPAOTATSA-N 1 1 393.488 -1.803 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)[C@@H]3C2)O1 ZINC001022391803 1073576279 /nfs/dbraw/zinc/57/62/79/1073576279.db2.gz MYLZSWZYJPUJSF-XJFOESAGSA-N 1 1 393.444 -1.683 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)[C@@H]3C2)O1 ZINC001022391803 1073576266 /nfs/dbraw/zinc/57/62/66/1073576266.db2.gz MYLZSWZYJPUJSF-XJFOESAGSA-N 1 1 393.444 -1.683 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)[C@@H]3C2)CC[N@H+]1C ZINC001022391904 1073576116 /nfs/dbraw/zinc/57/61/16/1073576116.db2.gz OHOLOZQOJSCPRZ-XJFOESAGSA-N 1 1 377.445 -1.062 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCn4cnnn4)[C@@H]3C2)O1 ZINC001022515245 1073581834 /nfs/dbraw/zinc/58/18/34/1073581834.db2.gz XYEQFCLYPGQIFI-LXTVHRRPSA-N 1 1 377.449 -1.158 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCn4cnnn4)[C@@H]3C2)O1 ZINC001022515245 1073581820 /nfs/dbraw/zinc/58/18/20/1073581820.db2.gz XYEQFCLYPGQIFI-LXTVHRRPSA-N 1 1 377.449 -1.158 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)[C@@H]3C2)O1 ZINC001022770364 1073598260 /nfs/dbraw/zinc/59/82/60/1073598260.db2.gz BHGGCWAGCSWLNH-XJFOESAGSA-N 1 1 393.444 -1.683 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)[C@@H]3C2)O1 ZINC001022770364 1073598248 /nfs/dbraw/zinc/59/82/48/1073598248.db2.gz BHGGCWAGCSWLNH-XJFOESAGSA-N 1 1 393.444 -1.683 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)[C@@H]3C2)CC[N@H+]1C ZINC001022771245 1073598225 /nfs/dbraw/zinc/59/82/25/1073598225.db2.gz YCHGSNOYODJMGQ-XJFOESAGSA-N 1 1 377.445 -1.062 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nccnc3C(N)=O)C2)CC[N@H+]1C ZINC001023655080 1073643126 /nfs/dbraw/zinc/64/31/26/1073643126.db2.gz BSORKDQLQIYKHN-DDHJBXDOSA-N 1 1 376.417 -1.783 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nccnc3C(N)=O)C2)O1 ZINC001023655468 1073643213 /nfs/dbraw/zinc/64/32/13/1073643213.db2.gz KZPQMUCJNQCFQL-DDHJBXDOSA-N 1 1 392.416 -2.404 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nccnc3C(N)=O)C2)O1 ZINC001023655468 1073643208 /nfs/dbraw/zinc/64/32/08/1073643208.db2.gz KZPQMUCJNQCFQL-DDHJBXDOSA-N 1 1 392.416 -2.404 20 0 GAADMO 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381.477 -1.195 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccccc3=O)C2)O1 ZINC001023668618 1073644640 /nfs/dbraw/zinc/64/46/40/1073644640.db2.gz ORCRQQYXQJWASG-KBUPBQIOSA-N 1 1 378.429 -1.745 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccccc3=O)C2)O1 ZINC001023668618 1073644637 /nfs/dbraw/zinc/64/46/37/1073644637.db2.gz ORCRQQYXQJWASG-KBUPBQIOSA-N 1 1 378.429 -1.745 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4n[nH]nc4c3)C2)O1 ZINC001023674867 1073645203 /nfs/dbraw/zinc/64/52/03/1073645203.db2.gz CTNIMTUIAPGMDN-HMTTWLPMSA-N 1 1 388.428 -1.022 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4n[nH]nc4c3)C2)O1 ZINC001023674867 1073645199 /nfs/dbraw/zinc/64/51/99/1073645199.db2.gz CTNIMTUIAPGMDN-HMTTWLPMSA-N 1 1 388.428 -1.022 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C(N)=O)cc3)C2)O1 ZINC001023677868 1073645815 /nfs/dbraw/zinc/64/58/15/1073645815.db2.gz 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CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(CC(N)=O)nn3)C2)CC[N@H+]1C ZINC001024135824 1073681628 /nfs/dbraw/zinc/68/16/28/1073681628.db2.gz XDZSDAYCNNHKMF-OIMNJJJWSA-N 1 1 393.448 -2.205 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc(C4CC4)nn3)C2)O1 ZINC001024150867 1073683287 /nfs/dbraw/zinc/68/32/87/1073683287.db2.gz INKBLWFJRAAMQL-RAEVTNRLSA-N 1 1 392.460 -1.438 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc(C4CC4)nn3)C2)O1 ZINC001024150867 1073683282 /nfs/dbraw/zinc/68/32/82/1073683282.db2.gz INKBLWFJRAAMQL-RAEVTNRLSA-N 1 1 392.460 -1.438 20 0 GAADMO Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2O)cn1C ZINC001024183354 1073692341 /nfs/dbraw/zinc/69/23/41/1073692341.db2.gz UUDAUBIHKUXSSF-ODVANORSSA-N 1 1 392.456 -1.286 20 0 GAADMO Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2O)cn1C ZINC001024183354 1073692332 /nfs/dbraw/zinc/69/23/32/1073692332.db2.gz UUDAUBIHKUXSSF-ODVANORSSA-N 1 1 392.456 -1.286 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001024209283 1073692472 /nfs/dbraw/zinc/69/24/72/1073692472.db2.gz FHRPJMYQPUCBTF-AAVRWANBSA-N 1 1 388.490 -1.950 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4n[nH]nc4n3)C2)O1 ZINC001024215268 1073693759 /nfs/dbraw/zinc/69/37/59/1073693759.db2.gz QAMOWHCZRSRVPM-ICGCDAGXSA-N 1 1 389.416 -1.627 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4n[nH]nc4n3)C2)O1 ZINC001024215268 1073693752 /nfs/dbraw/zinc/69/37/52/1073693752.db2.gz QAMOWHCZRSRVPM-ICGCDAGXSA-N 1 1 389.416 -1.627 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCC4)C2)O1 ZINC001024216255 1073693716 /nfs/dbraw/zinc/69/37/16/1073693716.db2.gz IQSKQIQGSPBEPI-RAEVTNRLSA-N 1 1 377.445 -1.150 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCC4)C2)O1 ZINC001024216255 1073693713 /nfs/dbraw/zinc/69/37/13/1073693713.db2.gz IQSKQIQGSPBEPI-RAEVTNRLSA-N 1 1 377.445 -1.150 20 0 GAADMO COc1nc(C)ncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001024219041 1073692936 /nfs/dbraw/zinc/69/29/36/1073692936.db2.gz BVCDTZDSEAXAMF-JUDXGUMMSA-N 1 1 393.444 -1.186 20 0 GAADMO COc1nc(C)ncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001024219041 1073692929 /nfs/dbraw/zinc/69/29/29/1073692929.db2.gz BVCDTZDSEAXAMF-JUDXGUMMSA-N 1 1 393.444 -1.186 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn4c3CCC4)C2)O1 ZINC001024219308 1073693112 /nfs/dbraw/zinc/69/31/12/1073693112.db2.gz HKGOVOWFLLKBOB-UIBBOPPKSA-N 1 1 377.445 -1.150 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn4c3CCC4)C2)O1 ZINC001024219308 1073693107 /nfs/dbraw/zinc/69/31/07/1073693107.db2.gz HKGOVOWFLLKBOB-UIBBOPPKSA-N 1 1 377.445 -1.150 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn4ccncc34)C2)O1 ZINC001024237375 1073693667 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C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4n[nH]nc4c3)C2)O1 ZINC001024240021 1073694300 /nfs/dbraw/zinc/69/43/00/1073694300.db2.gz CDPMEDKPHCACMB-ICGCDAGXSA-N 1 1 389.416 -1.627 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCOCC3=O)C2)O1 ZINC001024240418 1073694960 /nfs/dbraw/zinc/69/49/60/1073694960.db2.gz JBGLJSPMYTVSRN-AAVRWANBSA-N 1 1 384.433 -2.748 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCOCC3=O)C2)O1 ZINC001024240418 1073694954 /nfs/dbraw/zinc/69/49/54/1073694954.db2.gz JBGLJSPMYTVSRN-AAVRWANBSA-N 1 1 384.433 -2.748 20 0 GAADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCOCC3=O)C2)CC[N@H+]1C ZINC001024240797 1073694898 /nfs/dbraw/zinc/69/48/98/1073694898.db2.gz QYMKASCTMTWKJL-GBJTYRQASA-N 1 1 382.461 -1.737 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn4ncccc34)C2)O1 ZINC001024245243 1073694834 /nfs/dbraw/zinc/69/48/34/1073694834.db2.gz PGMSQSUXPWTJIM-UIBBOPPKSA-N 1 1 388.428 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LEBFLJVSZDQIIZ-HBJVGIJOSA-N 1 1 381.433 -2.256 20 0 GAADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)c(=O)n3C)C2)CC[N@H+]1C ZINC001024261506 1073695445 /nfs/dbraw/zinc/69/54/45/1073695445.db2.gz VTFSICFLKNVOLK-KYEXWDHISA-N 1 1 379.461 -1.244 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(C(N)=O)n3)C2)CC[N@H+]1C ZINC001024273457 1073696703 /nfs/dbraw/zinc/69/67/03/1073696703.db2.gz LDIGZKVVMSMFGK-YIKOMLBNSA-N 1 1 375.429 -1.178 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(C(N)=O)n3)C2)O1 ZINC001024273528 1073696667 /nfs/dbraw/zinc/69/66/67/1073696667.db2.gz OBIRVNKRMYKKCX-JUDXGUMMSA-N 1 1 391.428 -1.799 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(C(N)=O)n3)C2)O1 ZINC001024273528 1073696662 /nfs/dbraw/zinc/69/66/62/1073696662.db2.gz OBIRVNKRMYKKCX-JUDXGUMMSA-N 1 1 391.428 -1.799 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4n[nH]cc4c3)C2)O1 ZINC001024306424 1073696991 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C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4nc[nH]c4n3)C2)O1 ZINC001024317692 1073698261 /nfs/dbraw/zinc/69/82/61/1073698261.db2.gz IAGNESWNMUTYOO-JUDXGUMMSA-N 1 1 388.428 -1.022 20 0 GAADMO Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2O)c(=O)[nH]c1C ZINC001024320268 1073697529 /nfs/dbraw/zinc/69/75/29/1073697529.db2.gz QHDJGXJLWCZQEC-ICGCDAGXSA-N 1 1 393.444 -1.593 20 0 GAADMO Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2O)c(=O)[nH]c1C ZINC001024320268 1073697522 /nfs/dbraw/zinc/69/75/22/1073697522.db2.gz QHDJGXJLWCZQEC-ICGCDAGXSA-N 1 1 393.444 -1.593 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCN(C)C(=O)C3)C2)CC[N@H+]1C ZINC001024348356 1073701033 /nfs/dbraw/zinc/70/10/33/1073701033.db2.gz COVJALQHUPCPII-KBUPBQIOSA-N 1 1 381.477 -2.212 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4n3CCC4)C2)O1 ZINC001024358236 1073701165 /nfs/dbraw/zinc/70/11/65/1073701165.db2.gz DWJKMRFEGJHFHI-QHSBEEBCSA-N 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ZINC001024387296 1073705813 /nfs/dbraw/zinc/70/58/13/1073705813.db2.gz MREQNYFTRGOVKF-KBUPBQIOSA-N 1 1 379.461 -1.240 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc4ncccn4n3)C[C@H]2O)O1 ZINC001024387305 1073705673 /nfs/dbraw/zinc/70/56/73/1073705673.db2.gz NDNIJYXOTWFOLS-FDYHWXHSSA-N 1 1 389.416 -1.855 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc4ncccn4n3)C[C@H]2O)O1 ZINC001024387305 1073705662 /nfs/dbraw/zinc/70/56/62/1073705662.db2.gz NDNIJYXOTWFOLS-FDYHWXHSSA-N 1 1 389.416 -1.855 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4[nH]cnc43)C[C@H]2O)O1 ZINC001024387337 1073706048 /nfs/dbraw/zinc/70/60/48/1073706048.db2.gz NXVFGJNJHMVYMK-FMKGYKFTSA-N 1 1 388.428 -1.022 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4[nH]cnc43)C[C@H]2O)O1 ZINC001024387337 1073706040 /nfs/dbraw/zinc/70/60/40/1073706040.db2.gz NXVFGJNJHMVYMK-FMKGYKFTSA-N 1 1 388.428 -1.022 20 0 GAADMO Cc1cccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1=O ZINC001024387350 1073706490 /nfs/dbraw/zinc/70/64/90/1073706490.db2.gz OBUFDOHXJMGRQQ-KLHDSHLOSA-N 1 1 392.456 -1.436 20 0 GAADMO Cc1cccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1=O ZINC001024387350 1073706483 /nfs/dbraw/zinc/70/64/83/1073706483.db2.gz OBUFDOHXJMGRQQ-KLHDSHLOSA-N 1 1 392.456 -1.436 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)ccc3=O)C[C@H]2O)O1 ZINC001024387377 1073706449 /nfs/dbraw/zinc/70/64/49/1073706449.db2.gz OMWNKCYEJJUNKK-UIBBOPPKSA-N 1 1 378.429 -1.594 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)ccc3=O)C[C@H]2O)O1 ZINC001024387377 1073706445 /nfs/dbraw/zinc/70/64/45/1073706445.db2.gz OMWNKCYEJJUNKK-UIBBOPPKSA-N 1 1 378.429 -1.594 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncnc4[nH]ccc43)C[C@H]2O)O1 ZINC001024387381 1073706623 /nfs/dbraw/zinc/70/66/23/1073706623.db2.gz ONHFZQQDXVMRQE-FMKGYKFTSA-N 1 1 388.428 -1.070 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncnc4[nH]ccc43)C[C@H]2O)O1 ZINC001024387381 1073706613 /nfs/dbraw/zinc/70/66/13/1073706613.db2.gz ONHFZQQDXVMRQE-FMKGYKFTSA-N 1 1 388.428 -1.070 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)nn3)C[C@H]2O)O1 ZINC001024387385 1073706647 /nfs/dbraw/zinc/70/66/47/1073706647.db2.gz OOCXJWNZQZGOBL-NMFUWQPSSA-N 1 1 392.460 -1.437 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)nn3)C[C@H]2O)O1 ZINC001024387385 1073706641 /nfs/dbraw/zinc/70/66/41/1073706641.db2.gz OOCXJWNZQZGOBL-NMFUWQPSSA-N 1 1 392.460 -1.437 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4nnnc34)C[C@H]2O)O1 ZINC001024387397 1073706798 /nfs/dbraw/zinc/70/67/98/1073706798.db2.gz OWPQFIMPKMPVOU-FMKGYKFTSA-N 1 1 389.416 -1.855 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4nnnc34)C[C@H]2O)O1 ZINC001024387397 1073706788 /nfs/dbraw/zinc/70/67/88/1073706788.db2.gz OWPQFIMPKMPVOU-FMKGYKFTSA-N 1 1 389.416 -1.855 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)COC3CCOCC3)C[C@H]2O)O1 ZINC001024387411 1073706597 /nfs/dbraw/zinc/70/65/97/1073706597.db2.gz PGJQDAODKAXXIO-DTZQCDIJSA-N 1 1 385.461 -1.411 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)COC3CCOCC3)C[C@H]2O)O1 ZINC001024387411 1073706587 /nfs/dbraw/zinc/70/65/87/1073706587.db2.gz PGJQDAODKAXXIO-DTZQCDIJSA-N 1 1 385.461 -1.411 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C(N)=O)o3)C[C@H]2O)O1 ZINC001024387515 1073706704 /nfs/dbraw/zinc/70/67/04/1073706704.db2.gz QCGVFPHXJPOHPI-ZHSDAYTOSA-N 1 1 380.401 -1.601 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C(N)=O)o3)C[C@H]2O)O1 ZINC001024387515 1073706695 /nfs/dbraw/zinc/70/66/95/1073706695.db2.gz QCGVFPHXJPOHPI-ZHSDAYTOSA-N 1 1 380.401 -1.601 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2O)O1 ZINC001024387516 1073706773 /nfs/dbraw/zinc/70/67/73/1073706773.db2.gz QDQVYIVNBKGFSL-NMFUWQPSSA-N 1 1 378.429 -1.594 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2O)O1 ZINC001024387516 1073706770 /nfs/dbraw/zinc/70/67/70/1073706770.db2.gz QDQVYIVNBKGFSL-NMFUWQPSSA-N 1 1 378.429 -1.594 20 0 GAADMO CCn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001024387530 1073706846 /nfs/dbraw/zinc/70/68/46/1073706846.db2.gz QIQBQDQGZNNKJK-NMFUWQPSSA-N 1 1 380.449 -1.753 20 0 GAADMO CCn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001024387530 1073706838 /nfs/dbraw/zinc/70/68/38/1073706838.db2.gz QIQBQDQGZNNKJK-NMFUWQPSSA-N 1 1 380.449 -1.753 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cncn3C)C[C@H]2O)O1 ZINC001024387540 1073706730 /nfs/dbraw/zinc/70/67/30/1073706730.db2.gz QTOWVVYYUPLBNZ-DTZQCDIJSA-N 1 1 379.461 -1.240 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cncn3C)C[C@H]2O)O1 ZINC001024387540 1073706719 /nfs/dbraw/zinc/70/67/19/1073706719.db2.gz QTOWVVYYUPLBNZ-DTZQCDIJSA-N 1 1 379.461 -1.240 20 0 GAADMO COc1nccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024387573 1073706875 /nfs/dbraw/zinc/70/68/75/1073706875.db2.gz TYZSIQGJQSZJRQ-FMKGYKFTSA-N 1 1 379.417 -1.494 20 0 GAADMO COc1nccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024387573 1073706869 /nfs/dbraw/zinc/70/68/69/1073706869.db2.gz TYZSIQGJQSZJRQ-FMKGYKFTSA-N 1 1 379.417 -1.494 20 0 GAADMO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001024387577 1073706816 /nfs/dbraw/zinc/70/68/16/1073706816.db2.gz UCAJHCWSGQNTLL-FMKGYKFTSA-N 1 1 379.417 -1.494 20 0 GAADMO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001024387577 1073706809 /nfs/dbraw/zinc/70/68/09/1073706809.db2.gz UCAJHCWSGQNTLL-FMKGYKFTSA-N 1 1 379.417 -1.494 20 0 GAADMO CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 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C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2O)O1 ZINC001024389219 1073707403 /nfs/dbraw/zinc/70/74/03/1073707403.db2.gz AQYCQZPFCUYYDS-FDYHWXHSSA-N 1 1 382.421 -3.011 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H]2O)O1 ZINC001024389237 1073707388 /nfs/dbraw/zinc/70/73/88/1073707388.db2.gz BNLXGCCQSLTWTA-FMKGYKFTSA-N 1 1 385.852 -1.057 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H]2O)O1 ZINC001024389237 1073707385 /nfs/dbraw/zinc/70/73/85/1073707385.db2.gz BNLXGCCQSLTWTA-FMKGYKFTSA-N 1 1 385.852 -1.057 20 0 GAADMO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(=O)c1 ZINC001024389251 1073707487 /nfs/dbraw/zinc/70/74/87/1073707487.db2.gz BYIPWWRBGIUNNR-KLHDSHLOSA-N 1 1 392.456 -1.436 20 0 GAADMO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(=O)c1 ZINC001024389251 1073707479 /nfs/dbraw/zinc/70/74/79/1073707479.db2.gz BYIPWWRBGIUNNR-KLHDSHLOSA-N 1 1 392.456 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HPLJQSVOISXFOO-JUDXGUMMSA-N 1 1 382.417 -1.158 20 0 GAADMO COCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001024389471 1073708004 /nfs/dbraw/zinc/70/80/04/1073708004.db2.gz HPLJQSVOISXFOO-JUDXGUMMSA-N 1 1 382.417 -1.158 20 0 GAADMO Cc1c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cnn1C ZINC001024389478 1073708172 /nfs/dbraw/zinc/70/81/72/1073708172.db2.gz HUXNIZBVKUHOND-RAEVTNRLSA-N 1 1 379.461 -1.322 20 0 GAADMO Cc1c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cnn1C ZINC001024389478 1073708165 /nfs/dbraw/zinc/70/81/65/1073708165.db2.gz HUXNIZBVKUHOND-RAEVTNRLSA-N 1 1 379.461 -1.322 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)CCC4)C[C@H]2O)O1 ZINC001024389485 1073708199 /nfs/dbraw/zinc/70/81/99/1073708199.db2.gz IATDAOCECVYXJM-QHSBEEBCSA-N 1 1 377.445 -1.150 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)CCC4)C[C@H]2O)O1 ZINC001024389485 1073708189 /nfs/dbraw/zinc/70/81/89/1073708189.db2.gz IATDAOCECVYXJM-QHSBEEBCSA-N 1 1 377.445 -1.150 20 0 GAADMO Cc1cnn(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389509 1073708372 /nfs/dbraw/zinc/70/83/72/1073708372.db2.gz JLPYUMQHIVIDFW-KLHDSHLOSA-N 1 1 379.461 -1.011 20 0 GAADMO Cc1cnn(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389509 1073708362 /nfs/dbraw/zinc/70/83/62/1073708362.db2.gz JLPYUMQHIVIDFW-KLHDSHLOSA-N 1 1 379.461 -1.011 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]2O)O1 ZINC001024389517 1073708221 /nfs/dbraw/zinc/70/82/21/1073708221.db2.gz JWAITYVIVCZMCZ-HBJVGIJOSA-N 1 1 381.433 -2.256 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]2O)O1 ZINC001024389517 1073708212 /nfs/dbraw/zinc/70/82/12/1073708212.db2.gz JWAITYVIVCZMCZ-HBJVGIJOSA-N 1 1 381.433 -2.256 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3ccccc3=O)C[C@H]2O)O1 ZINC001024389527 1073708402 /nfs/dbraw/zinc/70/84/02/1073708402.db2.gz KFIRWZKZIWWQLL-KLHDSHLOSA-N 1 1 392.456 -1.355 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3ccccc3=O)C[C@H]2O)O1 ZINC001024389527 1073708391 /nfs/dbraw/zinc/70/83/91/1073708391.db2.gz KFIRWZKZIWWQLL-KLHDSHLOSA-N 1 1 392.456 -1.355 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n[nH]cc4c3)C[C@H]2O)O1 ZINC001024389529 1073708120 /nfs/dbraw/zinc/70/81/20/1073708120.db2.gz KGUYNSBLBBBZQO-JUDXGUMMSA-N 1 1 388.428 -1.022 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n[nH]cc4c3)C[C@H]2O)O1 ZINC001024389529 1073708115 /nfs/dbraw/zinc/70/81/15/1073708115.db2.gz KGUYNSBLBBBZQO-JUDXGUMMSA-N 1 1 388.428 -1.022 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nc[nH]c4n3)C[C@H]2O)O1 ZINC001024389556 1073708084 /nfs/dbraw/zinc/70/80/84/1073708084.db2.gz LPCWEVHPDHVISJ-JUDXGUMMSA-N 1 1 388.428 -1.022 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nc[nH]c4n3)C[C@H]2O)O1 ZINC001024389556 1073708080 /nfs/dbraw/zinc/70/80/80/1073708080.db2.gz LPCWEVHPDHVISJ-JUDXGUMMSA-N 1 1 388.428 -1.022 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2O)O1 ZINC001024389558 1073708276 /nfs/dbraw/zinc/70/82/76/1073708276.db2.gz LTRNYFOGRSJUOP-DDHJBXDOSA-N 1 1 392.416 -2.404 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2O)O1 ZINC001024389558 1073708267 /nfs/dbraw/zinc/70/82/67/1073708267.db2.gz LTRNYFOGRSJUOP-DDHJBXDOSA-N 1 1 392.416 -2.404 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4nccn4c3)C[C@H]2O)O1 ZINC001024389569 1073708431 /nfs/dbraw/zinc/70/84/31/1073708431.db2.gz MGYUKIOOILOCHQ-NMFUWQPSSA-N 1 1 388.428 -1.250 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4nccn4c3)C[C@H]2O)O1 ZINC001024389569 1073708423 /nfs/dbraw/zinc/70/84/23/1073708423.db2.gz MGYUKIOOILOCHQ-NMFUWQPSSA-N 1 1 388.428 -1.250 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2O)O1 ZINC001024389577 1073708053 /nfs/dbraw/zinc/70/80/53/1073708053.db2.gz MOOHUJBLMHESTA-KBUPBQIOSA-N 1 1 378.429 -1.745 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2O)O1 ZINC001024389577 1073708049 /nfs/dbraw/zinc/70/80/49/1073708049.db2.gz MOOHUJBLMHESTA-KBUPBQIOSA-N 1 1 378.429 -1.745 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cnn(C)n3)C[C@H]2O)O1 ZINC001024389606 1073708152 /nfs/dbraw/zinc/70/81/52/1073708152.db2.gz OGVCGSMFGUZCJQ-NMFUWQPSSA-N 1 1 380.449 -1.845 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cnn(C)n3)C[C@H]2O)O1 ZINC001024389606 1073708148 /nfs/dbraw/zinc/70/81/48/1073708148.db2.gz OGVCGSMFGUZCJQ-NMFUWQPSSA-N 1 1 380.449 -1.845 20 0 GAADMO Cc1noc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024389607 1073708982 /nfs/dbraw/zinc/70/89/82/1073708982.db2.gz OHNXWIZPRYRZOS-FMKGYKFTSA-N 1 1 381.433 -1.282 20 0 GAADMO Cc1noc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024389607 1073708975 /nfs/dbraw/zinc/70/89/75/1073708975.db2.gz OHNXWIZPRYRZOS-FMKGYKFTSA-N 1 1 381.433 -1.282 20 0 GAADMO Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389611 1073708886 /nfs/dbraw/zinc/70/88/86/1073708886.db2.gz OOKMKKCZOIAGRK-GAEVZRCVSA-N 1 1 393.488 -1.014 20 0 GAADMO Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389611 1073708878 /nfs/dbraw/zinc/70/88/78/1073708878.db2.gz OOKMKKCZOIAGRK-GAEVZRCVSA-N 1 1 393.488 -1.014 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3ccnn3C)C[C@H]2O)O1 ZINC001024389618 1073709228 /nfs/dbraw/zinc/70/92/28/1073709228.db2.gz OXOSXMFKMGDUIC-DTZQCDIJSA-N 1 1 379.461 -1.240 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3ccnn3C)C[C@H]2O)O1 ZINC001024389618 1073709222 /nfs/dbraw/zinc/70/92/22/1073709222.db2.gz OXOSXMFKMGDUIC-DTZQCDIJSA-N 1 1 379.461 -1.240 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(C(N)=O)n3)C[C@H]2O)O1 ZINC001024389626 1073709127 /nfs/dbraw/zinc/70/91/27/1073709127.db2.gz PGPHFFDSKSCJRL-JUDXGUMMSA-N 1 1 391.428 -1.799 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(C(N)=O)n3)C[C@H]2O)O1 ZINC001024389626 1073709116 /nfs/dbraw/zinc/70/91/16/1073709116.db2.gz PGPHFFDSKSCJRL-JUDXGUMMSA-N 1 1 391.428 -1.799 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2O)O1 ZINC001024389629 1073709024 /nfs/dbraw/zinc/70/90/24/1073709024.db2.gz PJWFSWBRRJJUJT-FMKGYKFTSA-N 1 1 379.417 -2.199 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2O)O1 ZINC001024389629 1073709014 /nfs/dbraw/zinc/70/90/14/1073709014.db2.gz PJWFSWBRRJJUJT-FMKGYKFTSA-N 1 1 379.417 -2.199 20 0 GAADMO Cc1cc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1C ZINC001024389660 1073709167 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ZINC001024390613 1073710386 /nfs/dbraw/zinc/71/03/86/1073710386.db2.gz RHBGKRZHTOLFBO-RAEVTNRLSA-N 1 1 379.461 -1.322 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]2O)O1 ZINC001024390614 1073710869 /nfs/dbraw/zinc/71/08/69/1073710869.db2.gz RJEZFEDCBUKJFE-ICGCDAGXSA-N 1 1 389.416 -1.627 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]2O)O1 ZINC001024390614 1073710858 /nfs/dbraw/zinc/71/08/58/1073710858.db2.gz RJEZFEDCBUKJFE-ICGCDAGXSA-N 1 1 389.416 -1.627 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCC4)C[C@H]2O)O1 ZINC001024390625 1073710419 /nfs/dbraw/zinc/71/04/19/1073710419.db2.gz RSQGTVOXORLVLT-RAEVTNRLSA-N 1 1 377.445 -1.150 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCC4)C[C@H]2O)O1 ZINC001024390625 1073710413 /nfs/dbraw/zinc/71/04/13/1073710413.db2.gz RSQGTVOXORLVLT-RAEVTNRLSA-N 1 1 377.445 -1.150 20 0 GAADMO 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C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NCc3cnon3)[C@@H](n3ccnn3)C2)O1 ZINC001070217377 1073531661 /nfs/dbraw/zinc/53/16/61/1073531661.db2.gz BCYZGINJNDCAHU-REBRKWNGSA-N 1 1 376.421 -1.078 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NCc3cnon3)[C@@H](n3ccnn3)C2)O1 ZINC001070217377 1073531651 /nfs/dbraw/zinc/53/16/51/1073531651.db2.gz BCYZGINJNDCAHU-REBRKWNGSA-N 1 1 376.421 -1.078 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NCc3cnn(C)n3)[C@@H](n3ccnn3)C2)O1 ZINC001070217438 1073531899 /nfs/dbraw/zinc/53/18/99/1073531899.db2.gz FDFMEAKGUSJZPM-DMRZNYOFSA-N 1 1 389.464 -1.333 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NCc3cnn(C)n3)[C@@H](n3ccnn3)C2)O1 ZINC001070217438 1073531887 /nfs/dbraw/zinc/53/18/87/1073531887.db2.gz FDFMEAKGUSJZPM-DMRZNYOFSA-N 1 1 389.464 -1.333 20 0 GAADMO Cc1nnc(CN[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2n2ccnn2)[nH]1 ZINC001070217520 1073531858 /nfs/dbraw/zinc/53/18/58/1073531858.db2.gz GINQBUPXQZNYKN-REBRKWNGSA-N 1 1 389.464 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1073534586 /nfs/dbraw/zinc/53/45/86/1073534586.db2.gz GZRSDKMRJKZLAM-BARDWOONSA-N 1 1 387.448 -1.327 20 0 GAADMO COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC001070275354 1073534780 /nfs/dbraw/zinc/53/47/80/1073534780.db2.gz HYOFGSDKQGVIFO-RQJABVFESA-N 1 1 386.416 -1.260 20 0 GAADMO COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC001070275436 1073534812 /nfs/dbraw/zinc/53/48/12/1073534812.db2.gz MNMYDWDRVIXVSN-RQJABVFESA-N 1 1 386.416 -1.260 20 0 GAADMO Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001070276469 1073535357 /nfs/dbraw/zinc/53/53/57/1073535357.db2.gz IKNCZQHVHYAODS-OSRDXIQISA-N 1 1 387.448 -1.150 20 0 GAADMO CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070278099 1073535565 /nfs/dbraw/zinc/53/55/65/1073535565.db2.gz PLLHBBXPMSSZQP-TUVASFSCSA-N 1 1 389.460 -1.376 20 0 GAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC(N)=O)CC2)C1 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1074443948 /nfs/dbraw/zinc/44/39/48/1074443948.db2.gz PEEGYDBBVBNVSH-AAVRWANBSA-N 1 1 380.449 -1.811 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3nnc4n3CCOC4)C[C@H]2O)O1 ZINC001077220587 1074443945 /nfs/dbraw/zinc/44/39/45/1074443945.db2.gz PEEGYDBBVBNVSH-AAVRWANBSA-N 1 1 380.449 -1.811 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3nnc4n3CCCC4)C[C@H]2O)O1 ZINC001077220598 1074443906 /nfs/dbraw/zinc/44/39/06/1074443906.db2.gz PNVOXXLTWSGYGE-KBUPBQIOSA-N 1 1 378.477 -1.005 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3nnc4n3CCCC4)C[C@H]2O)O1 ZINC001077220598 1074443902 /nfs/dbraw/zinc/44/39/02/1074443902.db2.gz PNVOXXLTWSGYGE-KBUPBQIOSA-N 1 1 378.477 -1.005 20 0 GAADMO COCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001077220736 1074443983 /nfs/dbraw/zinc/44/39/83/1074443983.db2.gz RONKQJHXSCCCNP-AAVRWANBSA-N 1 1 383.449 -1.361 20 0 GAADMO COCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001077220736 1074443980 /nfs/dbraw/zinc/44/39/80/1074443980.db2.gz RONKQJHXSCCCNP-AAVRWANBSA-N 1 1 383.449 -1.361 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3nnn(C(C)(C)C)n3)C[C@H]2O)O1 ZINC001077220743 1074444062 /nfs/dbraw/zinc/44/40/62/1074444062.db2.gz SBBCKTAEBZNHHF-AAVRWANBSA-N 1 1 381.481 -1.192 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3nnn(C(C)(C)C)n3)C[C@H]2O)O1 ZINC001077220743 1074444057 /nfs/dbraw/zinc/44/40/57/1074444057.db2.gz SBBCKTAEBZNHHF-AAVRWANBSA-N 1 1 381.481 -1.192 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)O1 ZINC001077220765 1074443854 /nfs/dbraw/zinc/44/38/54/1074443854.db2.gz TZRUNAJVPYXJPT-NMFUWQPSSA-N 1 1 390.444 -1.597 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)O1 ZINC001077220765 1074443851 /nfs/dbraw/zinc/44/38/51/1074443851.db2.gz TZRUNAJVPYXJPT-NMFUWQPSSA-N 1 1 390.444 -1.597 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3nnnn3C(C)(C)C)C[C@H]2O)O1 ZINC001077220804 1074444122 /nfs/dbraw/zinc/44/41/22/1074444122.db2.gz VIPBMEUNFOMCES-AAVRWANBSA-N 1 1 381.481 -1.192 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(Cc3nnnn3C(C)(C)C)C[C@H]2O)O1 ZINC001077220804 1074444116 /nfs/dbraw/zinc/44/41/16/1074444116.db2.gz VIPBMEUNFOMCES-AAVRWANBSA-N 1 1 381.481 -1.192 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC3CCS(=O)(=O)CC3)C[C@H]2O)O1 ZINC001077220940 1074444098 /nfs/dbraw/zinc/44/40/98/1074444098.db2.gz WPSPBUCPPBRXFK-DTZQCDIJSA-N 1 1 389.518 -1.308 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC3CCS(=O)(=O)CC3)C[C@H]2O)O1 ZINC001077220940 1074444095 /nfs/dbraw/zinc/44/40/95/1074444095.db2.gz WPSPBUCPPBRXFK-DTZQCDIJSA-N 1 1 389.518 -1.308 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(CCN3CCCS3(=O)=O)C[C@H]2O)O1 ZINC001077220942 1074444663 /nfs/dbraw/zinc/44/46/63/1074444663.db2.gz WQZLTINCLKCASY-KBUPBQIOSA-N 1 1 390.506 -2.098 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(CCN3CCCS3(=O)=O)C[C@H]2O)O1 ZINC001077220942 1074444657 /nfs/dbraw/zinc/44/46/57/1074444657.db2.gz WQZLTINCLKCASY-KBUPBQIOSA-N 1 1 390.506 -2.098 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(=O)Nc3nccs3)C[C@H]2O)O1 ZINC001077221039 1074444774 /nfs/dbraw/zinc/44/47/74/1074444774.db2.gz ZFLUSSRKSZKGGA-FDYHWXHSSA-N 1 1 383.474 -1.038 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(=O)Nc3nccs3)C[C@H]2O)O1 ZINC001077221039 1074444770 /nfs/dbraw/zinc/44/47/70/1074444770.db2.gz ZFLUSSRKSZKGGA-FDYHWXHSSA-N 1 1 383.474 -1.038 20 0 GAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)O1 ZINC001077221154 1074444740 /nfs/dbraw/zinc/44/47/40/1074444740.db2.gz DFDUJMGIEPYZJK-AAVRWANBSA-N 1 1 383.449 -2.191 20 0 GAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)O1 ZINC001077221154 1074444736 /nfs/dbraw/zinc/44/47/36/1074444736.db2.gz DFDUJMGIEPYZJK-AAVRWANBSA-N 1 1 383.449 -2.191 20 0 GAADMO CCCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077221736 1074444474 /nfs/dbraw/zinc/44/44/74/1074444474.db2.gz ZURXFWHQWZUIOK-KBUPBQIOSA-N 1 1 381.481 -1.146 20 0 GAADMO CCCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077221736 1074444469 /nfs/dbraw/zinc/44/44/69/1074444469.db2.gz ZURXFWHQWZUIOK-KBUPBQIOSA-N 1 1 381.481 -1.146 20 0 GAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(=O)NC3CCOCC3)C[C@H]2O)O1 ZINC001077222409 1074444684 /nfs/dbraw/zinc/44/46/84/1074444684.db2.gz JUHKKFNQNPXZOW-DTZQCDIJSA-N 1 1 384.477 -1.838 20 0 GAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(=O)NC3CCOCC3)C[C@H]2O)O1 ZINC001077222409 1074444678 /nfs/dbraw/zinc/44/46/78/1074444678.db2.gz JUHKKFNQNPXZOW-DTZQCDIJSA-N 1 1 384.477 -1.838 20 0 GAADMO Cc1cc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001077222566 1074444502 /nfs/dbraw/zinc/44/45/02/1074444502.db2.gz RMJIKQRADBEONN-AAVRWANBSA-N 1 1 381.433 -1.198 20 0 GAADMO 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GAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001096509665 1073448208 /nfs/dbraw/zinc/44/82/08/1073448208.db2.gz MGFOQPIDXHMVAY-RDBSUJKOSA-N 1 1 378.429 -1.284 20 0 GAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001096512077 1073448653 /nfs/dbraw/zinc/44/86/53/1073448653.db2.gz SGFCCIBMVFIHLZ-WOPDTQHZSA-N 1 1 377.401 -1.591 20 0 GAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)c(=O)[nH]c1=O ZINC001096534334 1073449149 /nfs/dbraw/zinc/44/91/49/1073449149.db2.gz FAVSQKWBMHXZFV-WXHSDQCUSA-N 1 1 376.417 -1.154 20 0 GAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001096535429 1073449186 /nfs/dbraw/zinc/44/91/86/1073449186.db2.gz USKQQWWZSRWTKG-NUGNTBJXSA-N 1 1 375.385 -1.374 20 0 GAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001096535429 1073449182 /nfs/dbraw/zinc/44/91/82/1073449182.db2.gz USKQQWWZSRWTKG-NUGNTBJXSA-N 1 1 375.385 -1.374 20 0 GAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001096535431 1073449112 /nfs/dbraw/zinc/44/91/12/1073449112.db2.gz USKQQWWZSRWTKG-QTKMDUPCSA-N 1 1 375.385 -1.374 20 0 GAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001096535431 1073449103 /nfs/dbraw/zinc/44/91/03/1073449103.db2.gz USKQQWWZSRWTKG-QTKMDUPCSA-N 1 1 375.385 -1.374 20 0 GAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001096575686 1073452570 /nfs/dbraw/zinc/45/25/70/1073452570.db2.gz VSTTXZNNOCIZLV-FXUDXRNXSA-N 1 1 379.461 -1.020 20 0 GAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001096575692 1073452593 /nfs/dbraw/zinc/45/25/93/1073452593.db2.gz VSTTXZNNOCIZLV-UGUYLWEFSA-N 1 1 379.461 -1.020 20 0 GAADMO CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001096586360 1073452464 /nfs/dbraw/zinc/45/24/64/1073452464.db2.gz XQQPNWBMUYCSRL-CBBWQLFWSA-N 1 1 379.461 -1.020 20 0 GAADMO CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001096586360 1073452459 /nfs/dbraw/zinc/45/24/59/1073452459.db2.gz XQQPNWBMUYCSRL-CBBWQLFWSA-N 1 1 379.461 -1.020 20 0 GAADMO CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001096586361 1073452628 /nfs/dbraw/zinc/45/26/28/1073452628.db2.gz XQQPNWBMUYCSRL-QPSCCSFWSA-N 1 1 379.461 -1.020 20 0 GAADMO CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001096586361 1073452619 /nfs/dbraw/zinc/45/26/19/1073452619.db2.gz XQQPNWBMUYCSRL-QPSCCSFWSA-N 1 1 379.461 -1.020 20 0 GAADMO CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096605440 1073452312 /nfs/dbraw/zinc/45/23/12/1073452312.db2.gz PECRFQNUJMPNGH-UVLXDEKHSA-N 1 1 375.433 -1.281 20 0 GAADMO CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096605440 1073452309 /nfs/dbraw/zinc/45/23/09/1073452309.db2.gz PECRFQNUJMPNGH-UVLXDEKHSA-N 1 1 375.433 -1.281 20 0 GAADMO CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096605441 1073452352 /nfs/dbraw/zinc/45/23/52/1073452352.db2.gz PECRFQNUJMPNGH-XWUBHJNHSA-N 1 1 375.433 -1.281 20 0 GAADMO CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096605441 1073452348 /nfs/dbraw/zinc/45/23/48/1073452348.db2.gz PECRFQNUJMPNGH-XWUBHJNHSA-N 1 1 375.433 -1.281 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)nn1 ZINC001096608773 1073453470 /nfs/dbraw/zinc/45/34/70/1073453470.db2.gz DLJXVRGAFZRBFP-MDZLAQPJSA-N 1 1 376.421 -1.876 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)nn1 ZINC001096608773 1073453467 /nfs/dbraw/zinc/45/34/67/1073453467.db2.gz DLJXVRGAFZRBFP-MDZLAQPJSA-N 1 1 376.421 -1.876 20 0 GAADMO CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096608782 1073453303 /nfs/dbraw/zinc/45/33/03/1073453303.db2.gz DSHLJZAFTZFMFT-UVLXDEKHSA-N 1 1 375.433 -1.281 20 0 GAADMO CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096608782 1073453299 /nfs/dbraw/zinc/45/32/99/1073453299.db2.gz DSHLJZAFTZFMFT-UVLXDEKHSA-N 1 1 375.433 -1.281 20 0 GAADMO CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096608783 1073453227 /nfs/dbraw/zinc/45/32/27/1073453227.db2.gz DSHLJZAFTZFMFT-XWUBHJNHSA-N 1 1 375.433 -1.281 20 0 GAADMO CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096608783 1073453222 /nfs/dbraw/zinc/45/32/22/1073453222.db2.gz DSHLJZAFTZFMFT-XWUBHJNHSA-N 1 1 375.433 -1.281 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)nn1 ZINC001096608789 1073453485 /nfs/dbraw/zinc/45/34/85/1073453485.db2.gz FHVNRYHMVNPOOA-DYEKYZERSA-N 1 1 375.433 -1.279 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)nn1 ZINC001096608789 1073453481 /nfs/dbraw/zinc/45/34/81/1073453481.db2.gz FHVNRYHMVNPOOA-DYEKYZERSA-N 1 1 375.433 -1.279 20 0 GAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611238 1073453539 /nfs/dbraw/zinc/45/35/39/1073453539.db2.gz LMGIPWGALUWKMG-WVWOOGAGSA-N 1 1 377.449 -1.035 20 0 GAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611238 1073453535 /nfs/dbraw/zinc/45/35/35/1073453535.db2.gz LMGIPWGALUWKMG-WVWOOGAGSA-N 1 1 377.449 -1.035 20 0 GAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611242 1073453199 /nfs/dbraw/zinc/45/31/99/1073453199.db2.gz LMGIPWGALUWKMG-XWUBHJNHSA-N 1 1 377.449 -1.035 20 0 GAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611242 1073453192 /nfs/dbraw/zinc/45/31/92/1073453192.db2.gz LMGIPWGALUWKMG-XWUBHJNHSA-N 1 1 377.449 -1.035 20 0 GAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)n(C)c1=O ZINC001096622122 1073454967 /nfs/dbraw/zinc/45/49/67/1073454967.db2.gz KSYKRZGRINAFPN-RDBSUJKOSA-N 1 1 377.445 -1.082 20 0 GAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)n(C)c1=O ZINC001096622122 1073454961 /nfs/dbraw/zinc/45/49/61/1073454961.db2.gz KSYKRZGRINAFPN-RDBSUJKOSA-N 1 1 377.445 -1.082 20 0 GAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)n(C)c1=O ZINC001096624964 1073454868 /nfs/dbraw/zinc/45/48/68/1073454868.db2.gz SLENEPDQLOVKCU-WOPDTQHZSA-N 1 1 376.417 -1.389 20 0 GAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001096665771 1073454658 /nfs/dbraw/zinc/45/46/58/1073454658.db2.gz XXGGPEUURAGWPK-VOAKCMCISA-N 1 1 378.433 -1.197 20 0 GAADMO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)N1CCOCC1 ZINC001096678700 1073454481 /nfs/dbraw/zinc/45/44/81/1073454481.db2.gz BFBKKDYDPWNUKF-XGUBFFRZSA-N 1 1 379.461 -1.020 20 0 GAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001096680040 1073454894 /nfs/dbraw/zinc/45/48/94/1073454894.db2.gz GACJTOCBVDQRLD-USZNOCQGSA-N 1 1 377.401 -1.688 20 0 GAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001096680041 1073454980 /nfs/dbraw/zinc/45/49/80/1073454980.db2.gz GACJTOCBVDQRLD-WYUUTHIRSA-N 1 1 377.401 -1.688 20 0 GAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001096680077 1073454807 /nfs/dbraw/zinc/45/48/07/1073454807.db2.gz GXTYPHFWRCHZAT-CRWXNKLISA-N 1 1 378.429 -1.381 20 0 GAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001096680077 1073454805 /nfs/dbraw/zinc/45/48/05/1073454805.db2.gz GXTYPHFWRCHZAT-CRWXNKLISA-N 1 1 378.429 -1.381 20 0 GAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001096680078 1073454778 /nfs/dbraw/zinc/45/47/78/1073454778.db2.gz GXTYPHFWRCHZAT-MQYQWHSLSA-N 1 1 378.429 -1.381 20 0 GAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001096680078 1073454770 /nfs/dbraw/zinc/45/47/70/1073454770.db2.gz GXTYPHFWRCHZAT-MQYQWHSLSA-N 1 1 378.429 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1073463007 /nfs/dbraw/zinc/46/30/07/1073463007.db2.gz DJDDBZUQGYNGGL-WYUUTHIRSA-N 1 1 375.385 -1.524 20 0 GAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001097460915 1073462931 /nfs/dbraw/zinc/46/29/31/1073462931.db2.gz MEHKZLKSKWWEGJ-UPJWGTAASA-N 1 1 376.417 -1.304 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)ncc1=O ZINC001097566392 1073463069 /nfs/dbraw/zinc/46/30/69/1073463069.db2.gz SEHWNAKKYNLBGM-NFAWXSAZSA-N 1 1 375.429 -1.026 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)ncc1=O ZINC001097566392 1073463064 /nfs/dbraw/zinc/46/30/64/1073463064.db2.gz SEHWNAKKYNLBGM-NFAWXSAZSA-N 1 1 375.429 -1.026 20 0 GAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CN1C(=O)CCC1=O ZINC001097627766 1073464474 /nfs/dbraw/zinc/46/44/74/1073464474.db2.gz FPHKKROWLAOWNX-LPWJVIDDSA-N 1 1 376.417 -1.042 20 0 GAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CN1C(=O)CCC1=O ZINC001097627766 1073464469 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Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)CN2C(=O)CCC2=O)n1 ZINC001097659215 1073466359 /nfs/dbraw/zinc/46/63/59/1073466359.db2.gz KCRZXCDTULPMDM-KXNHARMFSA-N 1 1 377.405 -1.945 20 0 GAADMO CC1(C)NC(=O)N(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CNC(=O)N2)C3)C1=O ZINC001097757979 1073466304 /nfs/dbraw/zinc/46/63/04/1073466304.db2.gz KWHAYMCUFHDJNZ-KKOKHZNYSA-N 1 1 378.433 -1.280 20 0 GAADMO CC1(C)NC(=O)N(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CNC(=O)N2)C3)C1=O ZINC001097757979 1073466299 /nfs/dbraw/zinc/46/62/99/1073466299.db2.gz KWHAYMCUFHDJNZ-KKOKHZNYSA-N 1 1 378.433 -1.280 20 0 GAADMO CC1(C)NC(=O)N(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CNC(=O)N2)C3)C1=O ZINC001097757981 1073466278 /nfs/dbraw/zinc/46/62/78/1073466278.db2.gz KWHAYMCUFHDJNZ-WYUUTHIRSA-N 1 1 378.433 -1.280 20 0 GAADMO CC1(C)NC(=O)N(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CNC(=O)N2)C3)C1=O ZINC001097757981 1073466267 /nfs/dbraw/zinc/46/62/67/1073466267.db2.gz KWHAYMCUFHDJNZ-WYUUTHIRSA-N 1 1 378.433 -1.280 20 0 GAADMO Cn1c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CNC(=O)N2)C3)cc(=O)n(C)c1=O ZINC001097758412 1073466419 /nfs/dbraw/zinc/46/64/19/1073466419.db2.gz RAPZMYAMSVRNPX-JHEVNIALSA-N 1 1 376.417 -2.013 20 0 GAADMO Cn1c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CNC(=O)N2)C3)cc(=O)n(C)c1=O ZINC001097758412 1073466414 /nfs/dbraw/zinc/46/64/14/1073466414.db2.gz RAPZMYAMSVRNPX-JHEVNIALSA-N 1 1 376.417 -2.013 20 0 GAADMO Cn1c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CNC(=O)N2)C3)cc(=O)n(C)c1=O ZINC001097758414 1073466443 /nfs/dbraw/zinc/46/64/43/1073466443.db2.gz RAPZMYAMSVRNPX-XEZLXBQYSA-N 1 1 376.417 -2.013 20 0 GAADMO Cn1c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CNC(=O)N2)C3)cc(=O)n(C)c1=O ZINC001097758414 1073466436 /nfs/dbraw/zinc/46/64/36/1073466436.db2.gz RAPZMYAMSVRNPX-XEZLXBQYSA-N 1 1 376.417 -2.013 20 0 GAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOc1ccc(S(N)(=O)=O)cc1 ZINC001097767513 1073467081 /nfs/dbraw/zinc/46/70/81/1073467081.db2.gz 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GAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001098353516 1073546322 /nfs/dbraw/zinc/54/63/22/1073546322.db2.gz MGFOQPIDXHMVAY-MCIONIFRSA-N 1 1 378.429 -1.284 20 0 GAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001098353648 1073545933 /nfs/dbraw/zinc/54/59/33/1073545933.db2.gz SGFCCIBMVFIHLZ-UTUOFQBUSA-N 1 1 377.401 -1.591 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)c(=O)[nH]c1=O ZINC001098386615 1073546979 /nfs/dbraw/zinc/54/69/79/1073546979.db2.gz FAVSQKWBMHXZFV-RTXFEEFZSA-N 1 1 376.417 -1.154 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001098387023 1073546749 /nfs/dbraw/zinc/54/67/49/1073546749.db2.gz USKQQWWZSRWTKG-KXGXSXBTSA-N 1 1 375.385 -1.374 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001098387023 1073546738 /nfs/dbraw/zinc/54/67/38/1073546738.db2.gz USKQQWWZSRWTKG-KXGXSXBTSA-N 1 1 375.385 -1.374 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001098387024 1073546703 /nfs/dbraw/zinc/54/67/03/1073546703.db2.gz USKQQWWZSRWTKG-YJQGPUDQSA-N 1 1 375.385 -1.374 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001098387024 1073546689 /nfs/dbraw/zinc/54/66/89/1073546689.db2.gz USKQQWWZSRWTKG-YJQGPUDQSA-N 1 1 375.385 -1.374 20 0 GAADMO NC(=O)NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001098434012 1073547026 /nfs/dbraw/zinc/54/70/26/1073547026.db2.gz GYVPEVIFTPRWSS-AQRJEWBLSA-N 1 1 380.445 -1.110 20 0 GAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001098441759 1073547567 /nfs/dbraw/zinc/54/75/67/1073547567.db2.gz VSTTXZNNOCIZLV-LVQVYYBASA-N 1 1 379.461 -1.020 20 0 GAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001098441760 1073547792 /nfs/dbraw/zinc/54/77/92/1073547792.db2.gz VSTTXZNNOCIZLV-WCVJEAGWSA-N 1 1 379.461 -1.020 20 0 GAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001098447065 1073547809 /nfs/dbraw/zinc/54/78/09/1073547809.db2.gz XQQPNWBMUYCSRL-APIJFGDWSA-N 1 1 379.461 -1.020 20 0 GAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001098447065 1073547805 /nfs/dbraw/zinc/54/78/05/1073547805.db2.gz XQQPNWBMUYCSRL-APIJFGDWSA-N 1 1 379.461 -1.020 20 0 GAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001098447066 1073547436 /nfs/dbraw/zinc/54/74/36/1073547436.db2.gz XQQPNWBMUYCSRL-KBXIAJHMSA-N 1 1 379.461 -1.020 20 0 GAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001098447066 1073547425 /nfs/dbraw/zinc/54/74/25/1073547425.db2.gz XQQPNWBMUYCSRL-KBXIAJHMSA-N 1 1 379.461 -1.020 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)nn1 ZINC001098463741 1073547628 /nfs/dbraw/zinc/54/76/28/1073547628.db2.gz DLJXVRGAFZRBFP-WZRBSPASSA-N 1 1 376.421 -1.876 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)nn1 ZINC001098463741 1073547616 /nfs/dbraw/zinc/54/76/16/1073547616.db2.gz DLJXVRGAFZRBFP-WZRBSPASSA-N 1 1 376.421 -1.876 20 0 GAADMO CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098463765 1073547532 /nfs/dbraw/zinc/54/75/32/1073547532.db2.gz DSHLJZAFTZFMFT-MHDGFBEUSA-N 1 1 375.433 -1.281 20 0 GAADMO CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098463765 1073547521 /nfs/dbraw/zinc/54/75/21/1073547521.db2.gz DSHLJZAFTZFMFT-MHDGFBEUSA-N 1 1 375.433 -1.281 20 0 GAADMO CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098463768 1073547780 /nfs/dbraw/zinc/54/77/80/1073547780.db2.gz DSHLJZAFTZFMFT-RFHZTLPTSA-N 1 1 375.433 -1.281 20 0 GAADMO CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098463768 1073547778 /nfs/dbraw/zinc/54/77/78/1073547778.db2.gz DSHLJZAFTZFMFT-RFHZTLPTSA-N 1 1 375.433 -1.281 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)nn1 ZINC001098463795 1073547967 /nfs/dbraw/zinc/54/79/67/1073547967.db2.gz FHVNRYHMVNPOOA-BZPMIXESSA-N 1 1 375.433 -1.279 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)nn1 ZINC001098463795 1073547957 /nfs/dbraw/zinc/54/79/57/1073547957.db2.gz FHVNRYHMVNPOOA-BZPMIXESSA-N 1 1 375.433 -1.279 20 0 GAADMO CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098464177 1073547888 /nfs/dbraw/zinc/54/78/88/1073547888.db2.gz PECRFQNUJMPNGH-MHDGFBEUSA-N 1 1 375.433 -1.281 20 0 GAADMO CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098464177 1073547879 /nfs/dbraw/zinc/54/78/79/1073547879.db2.gz PECRFQNUJMPNGH-MHDGFBEUSA-N 1 1 375.433 -1.281 20 0 GAADMO CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098464178 1073548327 /nfs/dbraw/zinc/54/83/27/1073548327.db2.gz PECRFQNUJMPNGH-RFHZTLPTSA-N 1 1 375.433 -1.281 20 0 GAADMO CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098464178 1073548312 /nfs/dbraw/zinc/54/83/12/1073548312.db2.gz PECRFQNUJMPNGH-RFHZTLPTSA-N 1 1 375.433 -1.281 20 0 GAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464514 1073548435 /nfs/dbraw/zinc/54/84/35/1073548435.db2.gz LMGIPWGALUWKMG-OXHZDVMGSA-N 1 1 377.449 -1.035 20 0 GAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464514 1073548424 /nfs/dbraw/zinc/54/84/24/1073548424.db2.gz LMGIPWGALUWKMG-OXHZDVMGSA-N 1 1 377.449 -1.035 20 0 GAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464516 1073548835 /nfs/dbraw/zinc/54/88/35/1073548835.db2.gz LMGIPWGALUWKMG-RFHZTLPTSA-N 1 1 377.449 -1.035 20 0 GAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464516 1073548823 /nfs/dbraw/zinc/54/88/23/1073548823.db2.gz LMGIPWGALUWKMG-RFHZTLPTSA-N 1 1 377.449 -1.035 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)n(C)c1=O ZINC001098472423 1073548517 /nfs/dbraw/zinc/54/85/17/1073548517.db2.gz KSYKRZGRINAFPN-MCIONIFRSA-N 1 1 377.445 -1.082 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)n(C)c1=O ZINC001098472423 1073548508 /nfs/dbraw/zinc/54/85/08/1073548508.db2.gz KSYKRZGRINAFPN-MCIONIFRSA-N 1 1 377.445 -1.082 20 0 GAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)n(C)c1=O ZINC001098472590 1073548362 /nfs/dbraw/zinc/54/83/62/1073548362.db2.gz SLENEPDQLOVKCU-UTUOFQBUSA-N 1 1 376.417 -1.389 20 0 GAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001098502312 1073548862 /nfs/dbraw/zinc/54/88/62/1073548862.db2.gz XXGGPEUURAGWPK-NDBYEHHHSA-N 1 1 378.433 -1.197 20 0 GAADMO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)N1CCOCC1 ZINC001098519231 1073548539 /nfs/dbraw/zinc/54/85/39/1073548539.db2.gz BFBKKDYDPWNUKF-YJNKXOJESA-N 1 1 379.461 -1.020 20 0 GAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001098522672 1073548933 /nfs/dbraw/zinc/54/89/33/1073548933.db2.gz GACJTOCBVDQRLD-KKOKHZNYSA-N 1 1 377.401 -1.688 20 0 GAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001098522674 1073548454 /nfs/dbraw/zinc/54/84/54/1073548454.db2.gz GACJTOCBVDQRLD-QCNOEVLYSA-N 1 1 377.401 -1.688 20 0 GAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001098522745 1073548909 /nfs/dbraw/zinc/54/89/09/1073548909.db2.gz GXTYPHFWRCHZAT-DGAVXFQQSA-N 1 1 378.429 -1.381 20 0 GAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001098522745 1073548896 /nfs/dbraw/zinc/54/88/96/1073548896.db2.gz GXTYPHFWRCHZAT-DGAVXFQQSA-N 1 1 378.429 -1.381 20 0 GAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001098522746 1073549295 /nfs/dbraw/zinc/54/92/95/1073549295.db2.gz GXTYPHFWRCHZAT-SYQHCUMBSA-N 1 1 378.429 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382.421 -1.744 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001130994266 1075029003 /nfs/dbraw/zinc/02/90/03/1075029003.db2.gz QWFSUNBVJMZWPP-AAVRWANBSA-N 1 1 391.476 -1.161 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001130994266 1075028998 /nfs/dbraw/zinc/02/89/98/1075028998.db2.gz QWFSUNBVJMZWPP-AAVRWANBSA-N 1 1 391.476 -1.161 20 0 GAADMO CCN1CC[NH+](CCCNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001136216686 1075045806 /nfs/dbraw/zinc/04/58/06/1075045806.db2.gz VNXUXSVNOYZYIH-UHFFFAOYSA-N 1 1 380.449 -1.418 20 0 GAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136226877 1075045728 /nfs/dbraw/zinc/04/57/28/1075045728.db2.gz PLXQSZSTQSAHDV-ZDUSSCGKSA-N 1 1 392.464 -1.810 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001136317550 1075047476 /nfs/dbraw/zinc/04/74/76/1075047476.db2.gz RMWUCVITLYDKNI-CYBMUJFWSA-N 1 1 390.487 -1.147 20 0 GAADMO 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COCC[N@H+]1CCO[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@@H]2C1 ZINC001144895889 1075063463 /nfs/dbraw/zinc/06/34/63/1075063463.db2.gz OTJMHZPTANGMLX-KJWHEZOQSA-N 1 1 390.433 -3.174 20 0 GAADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC[C@@H]2C1 ZINC001144895890 1075063489 /nfs/dbraw/zinc/06/34/89/1075063489.db2.gz OTJMHZPTANGMLX-QKGCVVFFSA-N 1 1 390.433 -3.174 20 0 GAADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC[C@@H]2C1 ZINC001144895891 1075063400 /nfs/dbraw/zinc/06/34/00/1075063400.db2.gz OTJMHZPTANGMLX-XLWJZTARSA-N 1 1 390.433 -3.174 20 0 GAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144896355 1075064000 /nfs/dbraw/zinc/06/40/00/1075064000.db2.gz QSADKONXPBOCKM-FPMFFAJLSA-N 1 1 387.433 -3.167 20 0 GAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144896370 1075063986 /nfs/dbraw/zinc/06/39/86/1075063986.db2.gz QSADKONXPBOCKM-IACUBPJLSA-N 1 1 387.433 -3.167 20 0 GAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144896375 1075064007 /nfs/dbraw/zinc/06/40/07/1075064007.db2.gz QSADKONXPBOCKM-KWCYVHTRSA-N 1 1 387.433 -3.167 20 0 GAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144896378 1075063992 /nfs/dbraw/zinc/06/39/92/1075063992.db2.gz QSADKONXPBOCKM-MRVWCRGKSA-N 1 1 387.433 -3.167 20 0 GAADMO O=C(C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896854 1075064266 /nfs/dbraw/zinc/06/42/66/1075064266.db2.gz UNWFYICEBBJUSP-CWRNSKLLSA-N 1 1 396.444 -2.492 20 0 GAADMO O=C(C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896855 1075064206 /nfs/dbraw/zinc/06/42/06/1075064206.db2.gz UNWFYICEBBJUSP-FVQBIDKESA-N 1 1 396.444 -2.492 20 0 GAADMO O=C(C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896856 1075064237 /nfs/dbraw/zinc/06/42/37/1075064237.db2.gz UNWFYICEBBJUSP-NUEKZKHPSA-N 1 1 396.444 -2.492 20 0 GAADMO O=C(C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896857 1075064260 /nfs/dbraw/zinc/06/42/60/1075064260.db2.gz UNWFYICEBBJUSP-VNQPRFMTSA-N 1 1 396.444 -2.492 20 0 GAADMO CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144897420 1075065010 /nfs/dbraw/zinc/06/50/10/1075065010.db2.gz ZZHKPNUIZRRADO-QLFBSQMISA-N 1 1 384.433 -2.221 20 0 GAADMO CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144897420 1075065006 /nfs/dbraw/zinc/06/50/06/1075065006.db2.gz ZZHKPNUIZRRADO-QLFBSQMISA-N 1 1 384.433 -2.221 20 0 GAADMO CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144897421 1075065062 /nfs/dbraw/zinc/06/50/62/1075065062.db2.gz ZZHKPNUIZRRADO-RBSFLKMASA-N 1 1 384.433 -2.221 20 0 GAADMO CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144897421 1075065056 /nfs/dbraw/zinc/06/50/56/1075065056.db2.gz ZZHKPNUIZRRADO-RBSFLKMASA-N 1 1 384.433 -2.221 20 0 GAADMO CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144897422 1075065092 /nfs/dbraw/zinc/06/50/92/1075065092.db2.gz ZZHKPNUIZRRADO-RRFJBIMHSA-N 1 1 384.433 -2.221 20 0 GAADMO CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144897422 1075065087 /nfs/dbraw/zinc/06/50/87/1075065087.db2.gz ZZHKPNUIZRRADO-RRFJBIMHSA-N 1 1 384.433 -2.221 20 0 GAADMO CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144897423 1075064954 /nfs/dbraw/zinc/06/49/54/1075064954.db2.gz ZZHKPNUIZRRADO-SOUVJXGZSA-N 1 1 384.433 -2.221 20 0 GAADMO CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144897423 1075064949 /nfs/dbraw/zinc/06/49/49/1075064949.db2.gz ZZHKPNUIZRRADO-SOUVJXGZSA-N 1 1 384.433 -2.221 20 0 GAADMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144898475 1075065041 /nfs/dbraw/zinc/06/50/41/1075065041.db2.gz AWPNRSZDBWKQIJ-BRWVUGGUSA-N 1 1 398.431 -1.107 20 0 GAADMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144898476 1075064964 /nfs/dbraw/zinc/06/49/64/1075064964.db2.gz AWPNRSZDBWKQIJ-GVDBMIGSSA-N 1 1 398.431 -1.107 20 0 GAADMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144898477 1075065104 /nfs/dbraw/zinc/06/51/04/1075065104.db2.gz AWPNRSZDBWKQIJ-IXDOHACOSA-N 1 1 398.431 -1.107 20 0 GAADMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144898479 1075064981 /nfs/dbraw/zinc/06/49/81/1075064981.db2.gz AWPNRSZDBWKQIJ-YESZJQIVSA-N 1 1 398.431 -1.107 20 0 GAADMO O=C(C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899408 1075066268 /nfs/dbraw/zinc/06/62/68/1075066268.db2.gz JUFDYGIQRQDHFP-FGTMMUONSA-N 1 1 392.452 -1.320 20 0 GAADMO O=C(C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899409 1075066314 /nfs/dbraw/zinc/06/63/14/1075066314.db2.gz JUFDYGIQRQDHFP-KZNAEPCWSA-N 1 1 392.452 -1.320 20 0 GAADMO O=C(C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899410 1075066286 /nfs/dbraw/zinc/06/62/86/1075066286.db2.gz JUFDYGIQRQDHFP-OKZBNKHCSA-N 1 1 392.452 -1.320 20 0 GAADMO O=C(C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899411 1075066340 /nfs/dbraw/zinc/06/63/40/1075066340.db2.gz JUFDYGIQRQDHFP-RCCFBDPRSA-N 1 1 392.452 -1.320 20 0 GAADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900043 1075067511 /nfs/dbraw/zinc/06/75/11/1075067511.db2.gz PROXJKBKKIXROK-OGCZYDBJSA-N 1 1 394.468 -1.001 20 0 GAADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900047 1075067532 /nfs/dbraw/zinc/06/75/32/1075067532.db2.gz PROXJKBKKIXROK-PEJOBZMASA-N 1 1 394.468 -1.001 20 0 GAADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900050 1075067563 /nfs/dbraw/zinc/06/75/63/1075067563.db2.gz PROXJKBKKIXROK-PFPDTZPXSA-N 1 1 394.468 -1.001 20 0 GAADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900054 1075067488 /nfs/dbraw/zinc/06/74/88/1075067488.db2.gz PROXJKBKKIXROK-XEIOYGOASA-N 1 1 394.468 -1.001 20 0 GAADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903535 1075070552 /nfs/dbraw/zinc/07/05/52/1075070552.db2.gz LCKCAIASYCWSGI-LUKYLMHMSA-N 1 1 380.441 -1.341 20 0 GAADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903536 1075070599 /nfs/dbraw/zinc/07/05/99/1075070599.db2.gz LCKCAIASYCWSGI-MWDXBVQZSA-N 1 1 380.441 -1.341 20 0 GAADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903537 1075070538 /nfs/dbraw/zinc/07/05/38/1075070538.db2.gz LCKCAIASYCWSGI-VVLHAWIVSA-N 1 1 380.441 -1.341 20 0 GAADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903538 1075070591 /nfs/dbraw/zinc/07/05/91/1075070591.db2.gz LCKCAIASYCWSGI-YLFCFFPRSA-N 1 1 380.441 -1.341 20 0 GAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907484 1075072911 /nfs/dbraw/zinc/07/29/11/1075072911.db2.gz YDBSKHZCDIXEDY-KHHDSSOXSA-N 1 1 392.452 -1.058 20 0 GAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907485 1075072993 /nfs/dbraw/zinc/07/29/93/1075072993.db2.gz YDBSKHZCDIXEDY-LVZMMCSGSA-N 1 1 392.452 -1.058 20 0 GAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907486 1075072955 /nfs/dbraw/zinc/07/29/55/1075072955.db2.gz YDBSKHZCDIXEDY-MCEUPANISA-N 1 1 392.452 -1.058 20 0 GAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907487 1075072939 /nfs/dbraw/zinc/07/29/39/1075072939.db2.gz YDBSKHZCDIXEDY-OOOWVJFSSA-N 1 1 392.452 -1.058 20 0 GAADMO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001146400568 1075081156 /nfs/dbraw/zinc/08/11/56/1075081156.db2.gz FORMBPXZGJSEFM-BQUFFADESA-N 1 1 386.453 -1.648 20 0 GAADMO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001146400570 1075081339 /nfs/dbraw/zinc/08/13/39/1075081339.db2.gz FORMBPXZGJSEFM-RYDUCSDGSA-N 1 1 386.453 -1.648 20 0 GAADMO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001146400571 1075081376 /nfs/dbraw/zinc/08/13/76/1075081376.db2.gz FORMBPXZGJSEFM-XYJRDEOASA-N 1 1 386.453 -1.648 20 0 GAADMO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001146400573 1075081354 /nfs/dbraw/zinc/08/13/54/1075081354.db2.gz FORMBPXZGJSEFM-ZBAXXZLZSA-N 1 1 386.453 -1.648 20 0 GAADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)C1 ZINC001146618549 1075081539 /nfs/dbraw/zinc/08/15/39/1075081539.db2.gz MRLJWVRGWQTULO-FXRXJOCMSA-N 1 1 397.472 -1.914 20 0 GAADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)C1 ZINC001146618549 1075081536 /nfs/dbraw/zinc/08/15/36/1075081536.db2.gz MRLJWVRGWQTULO-FXRXJOCMSA-N 1 1 397.472 -1.914 20 0 GAADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)C1 ZINC001146618550 1075081610 /nfs/dbraw/zinc/08/16/10/1075081610.db2.gz MRLJWVRGWQTULO-LFEHRJTNSA-N 1 1 397.472 -1.914 20 0 GAADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)C1 ZINC001146618550 1075081605 /nfs/dbraw/zinc/08/16/05/1075081605.db2.gz MRLJWVRGWQTULO-LFEHRJTNSA-N 1 1 397.472 -1.914 20 0 GAADMO C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001147353285 1075083069 /nfs/dbraw/zinc/08/30/69/1075083069.db2.gz VNVGRAZHCFKGMQ-CWCFIDOXSA-N 1 1 378.477 -1.339 20 0 GAADMO C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001147353286 1075083102 /nfs/dbraw/zinc/08/31/02/1075083102.db2.gz VNVGRAZHCFKGMQ-DPZJBDQQSA-N 1 1 378.477 -1.339 20 0 GAADMO C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001147353287 1075082988 /nfs/dbraw/zinc/08/29/88/1075082988.db2.gz VNVGRAZHCFKGMQ-JPIRQXTESA-N 1 1 378.477 -1.339 20 0 GAADMO C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001147353288 1075083018 /nfs/dbraw/zinc/08/30/18/1075083018.db2.gz VNVGRAZHCFKGMQ-RBRCJPGISA-N 1 1 378.477 -1.339 20 0 GAADMO CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n(C)n1 ZINC001148090409 1075085097 /nfs/dbraw/zinc/08/50/97/1075085097.db2.gz QACSHBZNPMUDET-AGIUHOORSA-N 1 1 380.453 -1.076 20 0 GAADMO CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n(C)n1 ZINC001148090410 1075085035 /nfs/dbraw/zinc/08/50/35/1075085035.db2.gz QACSHBZNPMUDET-AVGNSLFASA-N 1 1 380.453 -1.076 20 0 GAADMO CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n(C)n1 ZINC001148090411 1075085105 /nfs/dbraw/zinc/08/51/05/1075085105.db2.gz QACSHBZNPMUDET-FRRDWIJNSA-N 1 1 380.453 -1.076 20 0 GAADMO CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n(C)n1 ZINC001148090412 1075085048 /nfs/dbraw/zinc/08/50/48/1075085048.db2.gz QACSHBZNPMUDET-RWMBFGLXSA-N 1 1 380.453 -1.076 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2c(I)ccnc2F)[C@H]2NCN[C@H]21 ZINC001148107376 1075085071 /nfs/dbraw/zinc/08/50/71/1075085071.db2.gz DTQJYGILOASCSH-FXBDTBDDSA-N 1 1 392.176 -1.042 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2c(I)ccnc2F)[C@@H]2NCN[C@@H]21 ZINC001148107377 1075085052 /nfs/dbraw/zinc/08/50/52/1075085052.db2.gz DTQJYGILOASCSH-QNSHHTMESA-N 1 1 392.176 -1.042 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2c(I)ccnc2F)[C@@H]2NCN[C@H]21 ZINC001148107378 1075085013 /nfs/dbraw/zinc/08/50/13/1075085013.db2.gz DTQJYGILOASCSH-SFGNSQDASA-N 1 1 392.176 -1.042 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2c(I)ccnc2F)[C@H]2NCN[C@@H]21 ZINC001148107379 1075085079 /nfs/dbraw/zinc/08/50/79/1075085079.db2.gz DTQJYGILOASCSH-SZEHBUNVSA-N 1 1 392.176 -1.042 20 0 GAADMO NS(=O)(=O)c1cc(C(=O)N2CN[C@@H]([NH3+])[C@@H]3NCN[C@H]32)c(Cl)cc1Cl ZINC001149101159 1073851294 /nfs/dbraw/zinc/85/12/94/1073851294.db2.gz FZTDVOGEUSFKJK-AXFHLTTASA-N 1 1 395.272 -1.227 20 0 GAADMO NS(=O)(=O)c1cc(C(=O)N2CN[C@@H]([NH3+])[C@H]3NCN[C@@H]32)c(Cl)cc1Cl ZINC001149101160 1073851085 /nfs/dbraw/zinc/85/10/85/1073851085.db2.gz FZTDVOGEUSFKJK-GMTAPVOTSA-N 1 1 395.272 -1.227 20 0 GAADMO NS(=O)(=O)c1cc(C(=O)N2CN[C@@H]([NH3+])[C@@H]3NCN[C@@H]32)c(Cl)cc1Cl ZINC001149101161 1073851534 /nfs/dbraw/zinc/85/15/34/1073851534.db2.gz FZTDVOGEUSFKJK-HBNTYKKESA-N 1 1 395.272 -1.227 20 0 GAADMO NS(=O)(=O)c1cc(C(=O)N2CN[C@@H]([NH3+])[C@H]3NCN[C@H]32)c(Cl)cc1Cl ZINC001149101162 1073851124 /nfs/dbraw/zinc/85/11/24/1073851124.db2.gz FZTDVOGEUSFKJK-MXWKQRLJSA-N 1 1 395.272 -1.227 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H]2NCN[C@@H]21 ZINC001149112415 1073897359 /nfs/dbraw/zinc/89/73/59/1073897359.db2.gz CQUBKDAWMSWFAO-KFWWJZLASA-N 1 1 396.473 -2.160 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[C@H]2NCN[C@@H]21 ZINC001149112418 1073897421 /nfs/dbraw/zinc/89/74/21/1073897421.db2.gz CQUBKDAWMSWFAO-RBSFLKMASA-N 1 1 396.473 -2.160 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[C@H]2NCN[C@H]21 ZINC001149112420 1073897208 /nfs/dbraw/zinc/89/72/08/1073897208.db2.gz CQUBKDAWMSWFAO-RRFJBIMHSA-N 1 1 396.473 -2.160 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H]2NCN[C@H]21 ZINC001149112422 1073897553 /nfs/dbraw/zinc/89/75/53/1073897553.db2.gz CQUBKDAWMSWFAO-ZNMIVQPWSA-N 1 1 396.473 -2.160 20 0 GAADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001149575243 1073898121 /nfs/dbraw/zinc/89/81/21/1073898121.db2.gz RCMXIRVWMVUVLN-MAUKXSAKSA-N 1 1 395.481 -1.005 20 0 GAADMO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001149575243 1073898104 /nfs/dbraw/zinc/89/81/04/1073898104.db2.gz RCMXIRVWMVUVLN-MAUKXSAKSA-N 1 1 395.481 -1.005 20 0 GAADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001149575244 1073898233 /nfs/dbraw/zinc/89/82/33/1073898233.db2.gz RCMXIRVWMVUVLN-YJBOKZPZSA-N 1 1 395.481 -1.005 20 0 GAADMO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001149575244 1073898224 /nfs/dbraw/zinc/89/82/24/1073898224.db2.gz RCMXIRVWMVUVLN-YJBOKZPZSA-N 1 1 395.481 -1.005 20 0 GAADMO COc1ccc(Cn2ccnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2=O)cc1 ZINC001149728669 1073898911 /nfs/dbraw/zinc/89/89/11/1073898911.db2.gz CJGLDSZROLMCPI-BPUTZDHNSA-N 1 1 385.428 -1.567 20 0 GAADMO COc1ccc(Cn2ccnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2=O)cc1 ZINC001149728670 1073898818 /nfs/dbraw/zinc/89/88/18/1073898818.db2.gz CJGLDSZROLMCPI-CWRNSKLLSA-N 1 1 385.428 -1.567 20 0 GAADMO COc1ccc(Cn2ccnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2=O)cc1 ZINC001149728671 1073898758 /nfs/dbraw/zinc/89/87/58/1073898758.db2.gz CJGLDSZROLMCPI-KBMXLJTQSA-N 1 1 385.428 -1.567 20 0 GAADMO COc1ccc(Cn2ccnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2=O)cc1 ZINC001149728672 1073898702 /nfs/dbraw/zinc/89/87/02/1073898702.db2.gz CJGLDSZROLMCPI-VNQPRFMTSA-N 1 1 385.428 -1.567 20 0 GAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001149751147 1073898849 /nfs/dbraw/zinc/89/88/49/1073898849.db2.gz KLRJGXFBYIGIPJ-HNNXBMFYSA-N 1 1 381.458 -1.051 20 0 GAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001149751148 1073899624 /nfs/dbraw/zinc/89/96/24/1073899624.db2.gz KLRJGXFBYIGIPJ-OAHLLOKOSA-N 1 1 381.458 -1.051 20 0 GAADMO Cn1cc[nH+]c1N1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001149819303 1073899427 /nfs/dbraw/zinc/89/94/27/1073899427.db2.gz GMQVGXUAWDFFIH-UHFFFAOYSA-N 1 1 375.389 -1.480 20 0 GAADMO CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2C1 ZINC001149854416 1073899348 /nfs/dbraw/zinc/89/93/48/1073899348.db2.gz CTDGSAXIZBGEID-HZSPNIEDSA-N 1 1 392.464 -1.164 20 0 GAADMO CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2C1 ZINC001149854419 1073899597 /nfs/dbraw/zinc/89/95/97/1073899597.db2.gz CTDGSAXIZBGEID-IHRRRGAJSA-N 1 1 392.464 -1.164 20 0 GAADMO CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2C1 ZINC001149854421 1073899644 /nfs/dbraw/zinc/89/96/44/1073899644.db2.gz CTDGSAXIZBGEID-MELADBBJSA-N 1 1 392.464 -1.164 20 0 GAADMO CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2C1 ZINC001149854422 1073899401 /nfs/dbraw/zinc/89/94/01/1073899401.db2.gz CTDGSAXIZBGEID-RDBSUJKOSA-N 1 1 392.464 -1.164 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cnc2C1 ZINC001149910183 1073899525 /nfs/dbraw/zinc/89/95/25/1073899525.db2.gz NQDVICYBIIYQKT-HZSPNIEDSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cnc2C1 ZINC001149910204 1073899462 /nfs/dbraw/zinc/89/94/62/1073899462.db2.gz NQDVICYBIIYQKT-IHRRRGAJSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cnc2C1 ZINC001149910207 1073900231 /nfs/dbraw/zinc/90/02/31/1073900231.db2.gz NQDVICYBIIYQKT-MELADBBJSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cnc2C1 ZINC001149910210 1073900184 /nfs/dbraw/zinc/90/01/84/1073900184.db2.gz NQDVICYBIIYQKT-RDBSUJKOSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2C1 ZINC001149935464 1073899869 /nfs/dbraw/zinc/89/98/69/1073899869.db2.gz ZUSIVZKBVZWNND-AGIUHOORSA-N 1 1 378.437 -1.207 20 0 GAADMO CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2C1 ZINC001149935465 1073900325 /nfs/dbraw/zinc/90/03/25/1073900325.db2.gz ZUSIVZKBVZWNND-AVGNSLFASA-N 1 1 378.437 -1.207 20 0 GAADMO CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2C1 ZINC001149935466 1073900365 /nfs/dbraw/zinc/90/03/65/1073900365.db2.gz ZUSIVZKBVZWNND-FRRDWIJNSA-N 1 1 378.437 -1.207 20 0 GAADMO CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2C1 ZINC001149935467 1073900304 /nfs/dbraw/zinc/90/03/04/1073900304.db2.gz ZUSIVZKBVZWNND-RWMBFGLXSA-N 1 1 378.437 -1.207 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2C1 ZINC001150015956 1073900124 /nfs/dbraw/zinc/90/01/24/1073900124.db2.gz VXRNUHBXCRCWOC-HZSPNIEDSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2C1 ZINC001150015957 1073900208 /nfs/dbraw/zinc/90/02/08/1073900208.db2.gz VXRNUHBXCRCWOC-IHRRRGAJSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2C1 ZINC001150015958 1073899907 /nfs/dbraw/zinc/89/99/07/1073899907.db2.gz VXRNUHBXCRCWOC-MELADBBJSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2C1 ZINC001150016059 1073900144 /nfs/dbraw/zinc/90/01/44/1073900144.db2.gz VXRNUHBXCRCWOC-RDBSUJKOSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2C1 ZINC001150029221 1073899945 /nfs/dbraw/zinc/89/99/45/1073899945.db2.gz QTGXBYUWLOHAGY-AGIUHOORSA-N 1 1 393.452 -1.839 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2C1 ZINC001150029222 1073900247 /nfs/dbraw/zinc/90/02/47/1073900247.db2.gz QTGXBYUWLOHAGY-AVGNSLFASA-N 1 1 393.452 -1.839 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2C1 ZINC001150029223 1073900165 /nfs/dbraw/zinc/90/01/65/1073900165.db2.gz QTGXBYUWLOHAGY-FRRDWIJNSA-N 1 1 393.452 -1.839 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2C1 ZINC001150029224 1073900097 /nfs/dbraw/zinc/90/00/97/1073900097.db2.gz QTGXBYUWLOHAGY-RWMBFGLXSA-N 1 1 393.452 -1.839 20 0 GAADMO Cn1c2sc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2c(=O)n(C)c1=O ZINC001150065998 1073900045 /nfs/dbraw/zinc/90/00/45/1073900045.db2.gz KHIFPDKPWZMVAX-UHFFFAOYSA-N 1 1 379.442 -1.022 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc2C1 ZINC001150080800 1073900729 /nfs/dbraw/zinc/90/07/29/1073900729.db2.gz ULLWOJIRBYRSSZ-HZSPNIEDSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc2C1 ZINC001150080802 1073900693 /nfs/dbraw/zinc/90/06/93/1073900693.db2.gz ULLWOJIRBYRSSZ-IHRRRGAJSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc2C1 ZINC001150080805 1073900711 /nfs/dbraw/zinc/90/07/11/1073900711.db2.gz ULLWOJIRBYRSSZ-MELADBBJSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc2C1 ZINC001150080807 1073900781 /nfs/dbraw/zinc/90/07/81/1073900781.db2.gz ULLWOJIRBYRSSZ-RDBSUJKOSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC(NS(N)(=O)=O)C2)CC1 ZINC001150087848 1073900740 /nfs/dbraw/zinc/90/07/40/1073900740.db2.gz UGQFPQFFBKIHBZ-UHFFFAOYSA-N 1 1 391.494 -1.067 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2C1 ZINC001150114589 1073900794 /nfs/dbraw/zinc/90/07/94/1073900794.db2.gz QBBZJERNWDJCDE-HZSPNIEDSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2C1 ZINC001150114590 1073900756 /nfs/dbraw/zinc/90/07/56/1073900756.db2.gz QBBZJERNWDJCDE-IHRRRGAJSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2C1 ZINC001150114591 1073900869 /nfs/dbraw/zinc/90/08/69/1073900869.db2.gz QBBZJERNWDJCDE-MELADBBJSA-N 1 1 392.464 -1.234 20 0 GAADMO CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2C1 ZINC001150114592 1073901432 /nfs/dbraw/zinc/90/14/32/1073901432.db2.gz QBBZJERNWDJCDE-RDBSUJKOSA-N 1 1 392.464 -1.234 20 0 GAADMO CNS(=O)(=O)CCNC(=O)c1ccc2nnc([C@H]3C[N@@H+](C)CCN3C)n2c1 ZINC001150396675 1073902081 /nfs/dbraw/zinc/90/20/81/1073902081.db2.gz KZEFHUBDYURWIF-CYBMUJFWSA-N 1 1 395.489 -1.073 20 0 GAADMO CNS(=O)(=O)CCNC(=O)c1ccc2nnc([C@H]3C[N@H+](C)CCN3C)n2c1 ZINC001150396675 1073902076 /nfs/dbraw/zinc/90/20/76/1073902076.db2.gz KZEFHUBDYURWIF-CYBMUJFWSA-N 1 1 395.489 -1.073 20 0 GAADMO CNS(=O)(=O)CCNC(=O)c1ccc2nnc([C@@H]3C[N@@H+](C)CCN3C)n2c1 ZINC001150396676 1073902105 /nfs/dbraw/zinc/90/21/05/1073902105.db2.gz KZEFHUBDYURWIF-ZDUSSCGKSA-N 1 1 395.489 -1.073 20 0 GAADMO CNS(=O)(=O)CCNC(=O)c1ccc2nnc([C@@H]3C[N@H+](C)CCN3C)n2c1 ZINC001150396676 1073902101 /nfs/dbraw/zinc/90/21/01/1073902101.db2.gz KZEFHUBDYURWIF-ZDUSSCGKSA-N 1 1 395.489 -1.073 20 0 GAADMO CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NC(CO)(CO)CO)cn21 ZINC001150398568 1073902005 /nfs/dbraw/zinc/90/20/05/1073902005.db2.gz CVCLWBKIRPHMBW-CYBMUJFWSA-N 1 1 378.433 -1.907 20 0 GAADMO CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NC(CO)(CO)CO)cn21 ZINC001150398568 1073902001 /nfs/dbraw/zinc/90/20/01/1073902001.db2.gz CVCLWBKIRPHMBW-CYBMUJFWSA-N 1 1 378.433 -1.907 20 0 GAADMO CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC(CO)(CO)CO)cn21 ZINC001150398569 1073901928 /nfs/dbraw/zinc/90/19/28/1073901928.db2.gz CVCLWBKIRPHMBW-ZDUSSCGKSA-N 1 1 378.433 -1.907 20 0 GAADMO CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC(CO)(CO)CO)cn21 ZINC001150398569 1073901919 /nfs/dbraw/zinc/90/19/19/1073901919.db2.gz CVCLWBKIRPHMBW-ZDUSSCGKSA-N 1 1 378.433 -1.907 20 0 GAADMO CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)cn21 ZINC001150398988 1073902053 /nfs/dbraw/zinc/90/20/53/1073902053.db2.gz HYXNIBVNJGGYKH-KBPBESRZSA-N 1 1 387.444 -1.108 20 0 GAADMO CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)cn21 ZINC001150398988 1073902047 /nfs/dbraw/zinc/90/20/47/1073902047.db2.gz HYXNIBVNJGGYKH-KBPBESRZSA-N 1 1 387.444 -1.108 20 0 GAADMO CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)cn21 ZINC001150398989 1073902092 /nfs/dbraw/zinc/90/20/92/1073902092.db2.gz HYXNIBVNJGGYKH-KGLIPLIRSA-N 1 1 387.444 -1.108 20 0 GAADMO CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)cn21 ZINC001150398989 1073902088 /nfs/dbraw/zinc/90/20/88/1073902088.db2.gz HYXNIBVNJGGYKH-KGLIPLIRSA-N 1 1 387.444 -1.108 20 0 GAADMO CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)cn21 ZINC001150398990 1073901991 /nfs/dbraw/zinc/90/19/91/1073901991.db2.gz HYXNIBVNJGGYKH-UONOGXRCSA-N 1 1 387.444 -1.108 20 0 GAADMO CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)cn21 ZINC001150398990 1073901988 /nfs/dbraw/zinc/90/19/88/1073901988.db2.gz HYXNIBVNJGGYKH-UONOGXRCSA-N 1 1 387.444 -1.108 20 0 GAADMO CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)cn21 ZINC001150398991 1073901957 /nfs/dbraw/zinc/90/19/57/1073901957.db2.gz HYXNIBVNJGGYKH-ZIAGYGMSSA-N 1 1 387.444 -1.108 20 0 GAADMO CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)cn21 ZINC001150398991 1073901945 /nfs/dbraw/zinc/90/19/45/1073901945.db2.gz HYXNIBVNJGGYKH-ZIAGYGMSSA-N 1 1 387.444 -1.108 20 0 GAADMO CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cn21 ZINC001150403094 1073902136 /nfs/dbraw/zinc/90/21/36/1073902136.db2.gz SPUHKMVKNKZGNR-KBPBESRZSA-N 1 1 387.444 -1.026 20 0 GAADMO CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cn21 ZINC001150403094 1073902133 /nfs/dbraw/zinc/90/21/33/1073902133.db2.gz SPUHKMVKNKZGNR-KBPBESRZSA-N 1 1 387.444 -1.026 20 0 GAADMO CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cn21 ZINC001150403099 1073901901 /nfs/dbraw/zinc/90/19/01/1073901901.db2.gz SPUHKMVKNKZGNR-KGLIPLIRSA-N 1 1 387.444 -1.026 20 0 GAADMO CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cn21 ZINC001150403099 1073901894 /nfs/dbraw/zinc/90/18/94/1073901894.db2.gz SPUHKMVKNKZGNR-KGLIPLIRSA-N 1 1 387.444 -1.026 20 0 GAADMO CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cn21 ZINC001150403102 1073902117 /nfs/dbraw/zinc/90/21/17/1073902117.db2.gz SPUHKMVKNKZGNR-UONOGXRCSA-N 1 1 387.444 -1.026 20 0 GAADMO CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cn21 ZINC001150403102 1073902113 /nfs/dbraw/zinc/90/21/13/1073902113.db2.gz SPUHKMVKNKZGNR-UONOGXRCSA-N 1 1 387.444 -1.026 20 0 GAADMO CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cn21 ZINC001150403105 1073902566 /nfs/dbraw/zinc/90/25/66/1073902566.db2.gz SPUHKMVKNKZGNR-ZIAGYGMSSA-N 1 1 387.444 -1.026 20 0 GAADMO CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cn21 ZINC001150403105 1073902561 /nfs/dbraw/zinc/90/25/61/1073902561.db2.gz SPUHKMVKNKZGNR-ZIAGYGMSSA-N 1 1 387.444 -1.026 20 0 GAADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001151816459 1075379713 /nfs/dbraw/zinc/37/97/13/1075379713.db2.gz APAYTFUJWFPWLF-INIZCTEOSA-N 1 1 385.442 -1.365 20 0 GAADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001151816460 1075379806 /nfs/dbraw/zinc/37/98/06/1075379806.db2.gz APAYTFUJWFPWLF-MRXNPFEDSA-N 1 1 385.442 -1.365 20 0 GAADMO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@]1(CO)COCC[NH2+]1 ZINC001151816479 1073905133 /nfs/dbraw/zinc/90/51/33/1073905133.db2.gz AZHRDZCKZFOTAM-IBGZPJMESA-N 1 1 391.472 -1.023 20 0 GAADMO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001151816480 1073905024 /nfs/dbraw/zinc/90/50/24/1073905024.db2.gz AZHRDZCKZFOTAM-LJQANCHMSA-N 1 1 391.472 -1.023 20 0 GAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001151817163 1073905947 /nfs/dbraw/zinc/90/59/47/1073905947.db2.gz LOPLNJLDDNNGLI-KRWDZBQOSA-N 1 1 398.485 -1.051 20 0 GAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001151817164 1073905765 /nfs/dbraw/zinc/90/57/65/1073905765.db2.gz LOPLNJLDDNNGLI-QGZVFWFLSA-N 1 1 398.485 -1.051 20 0 GAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001151862204 1073905850 /nfs/dbraw/zinc/90/58/50/1073905850.db2.gz VUFPSPRATNNERW-GXTWGEPZSA-N 1 1 391.432 -1.235 20 0 GAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001151862209 1073905738 /nfs/dbraw/zinc/90/57/38/1073905738.db2.gz VUFPSPRATNNERW-JSGCOSHPSA-N 1 1 391.432 -1.235 20 0 GAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001151862211 1073905989 /nfs/dbraw/zinc/90/59/89/1073905989.db2.gz VUFPSPRATNNERW-OCCSQVGLSA-N 1 1 391.432 -1.235 20 0 GAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001151862214 1073905931 /nfs/dbraw/zinc/90/59/31/1073905931.db2.gz VUFPSPRATNNERW-TZMCWYRMSA-N 1 1 391.432 -1.235 20 0 GAADMO CC(C)(C)OC(=O)N1CCc2c([nH]nc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001151923582 1073905803 /nfs/dbraw/zinc/90/58/03/1073905803.db2.gz GAKLYOWOSNXZTE-HZSPNIEDSA-N 1 1 392.464 -1.164 20 0 GAADMO CC(C)(C)OC(=O)N1CCc2c([nH]nc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001151923583 1073905833 /nfs/dbraw/zinc/90/58/33/1073905833.db2.gz GAKLYOWOSNXZTE-IHRRRGAJSA-N 1 1 392.464 -1.164 20 0 GAADMO CC(C)(C)OC(=O)N1CCc2c([nH]nc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001151923584 1073905704 /nfs/dbraw/zinc/90/57/04/1073905704.db2.gz GAKLYOWOSNXZTE-MELADBBJSA-N 1 1 392.464 -1.164 20 0 GAADMO CC(C)(C)OC(=O)N1CCc2c([nH]nc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001151923585 1073905968 /nfs/dbraw/zinc/90/59/68/1073905968.db2.gz GAKLYOWOSNXZTE-RDBSUJKOSA-N 1 1 392.464 -1.164 20 0 GAADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3ncn4c3nnn(C)c4=O)CC[C@@H]2C1 ZINC001152744623 1073908212 /nfs/dbraw/zinc/90/82/12/1073908212.db2.gz DCLVGVWRTWEENA-CHWSQXEVSA-N 1 1 391.432 -1.368 20 0 GAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ncn3c1nnn(C)c3=O)CC2 ZINC001152745104 1073908943 /nfs/dbraw/zinc/90/89/43/1073908943.db2.gz NRKXAWBQXTWEJO-UHFFFAOYSA-N 1 1 388.432 -1.360 20 0 GAADMO CN1CCn2nc(C(=O)NCC[N@@H+](C)CCOCCO)cc2S1(=O)=O ZINC001153232324 1073911469 /nfs/dbraw/zinc/91/14/69/1073911469.db2.gz IFUMBDVPPDCJPC-UHFFFAOYSA-N 1 1 375.451 -1.812 20 0 GAADMO Cn1ncnc1C1(O)CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001153625534 1073912058 /nfs/dbraw/zinc/91/20/58/1073912058.db2.gz WSPUQFXTNFJWOS-AWEZNQCLSA-N 1 1 392.460 -1.442 20 0 GAADMO Cn1ncnc1C1(O)CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001153625535 1073912189 /nfs/dbraw/zinc/91/21/89/1073912189.db2.gz WSPUQFXTNFJWOS-CQSZACIVSA-N 1 1 392.460 -1.442 20 0 GAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC001154925091 1073916614 /nfs/dbraw/zinc/91/66/14/1073916614.db2.gz NHHUWBMKTGYEAC-UHFFFAOYSA-N 1 1 386.478 -1.457 20 0 GAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC001154925091 1073916610 /nfs/dbraw/zinc/91/66/10/1073916610.db2.gz NHHUWBMKTGYEAC-UHFFFAOYSA-N 1 1 386.478 -1.457 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)[C@@H]2NCN[C@H]21 ZINC001155068259 1073916424 /nfs/dbraw/zinc/91/64/24/1073916424.db2.gz QXONQSMTUPWVON-BBWFWOEESA-N 1 1 392.423 -1.087 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)[C@H]2NCN[C@@H]21 ZINC001155068268 1073916530 /nfs/dbraw/zinc/91/65/30/1073916530.db2.gz QXONQSMTUPWVON-BRWVUGGUSA-N 1 1 392.423 -1.087 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)[C@H]2NCN[C@H]21 ZINC001155068269 1073916560 /nfs/dbraw/zinc/91/65/60/1073916560.db2.gz QXONQSMTUPWVON-GVDBMIGSSA-N 1 1 392.423 -1.087 20 0 GAADMO [NH3+][C@@H]1NCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)[C@@H]2NCN[C@@H]21 ZINC001155068270 1073916504 /nfs/dbraw/zinc/91/65/04/1073916504.db2.gz QXONQSMTUPWVON-ZACQAIPSSA-N 1 1 392.423 -1.087 20 0 GAADMO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)N1 ZINC001155571019 1073918487 /nfs/dbraw/zinc/91/84/87/1073918487.db2.gz QTDLVDCLBCVZEK-PXAZEXFGSA-N 1 1 390.448 -1.465 20 0 GAADMO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)N1 ZINC001155571020 1073918576 /nfs/dbraw/zinc/91/85/76/1073918576.db2.gz QTDLVDCLBCVZEK-SJCJKPOMSA-N 1 1 390.448 -1.465 20 0 GAADMO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)N1 ZINC001155571021 1073918539 /nfs/dbraw/zinc/91/85/39/1073918539.db2.gz QTDLVDCLBCVZEK-SJKOYZFVSA-N 1 1 390.448 -1.465 20 0 GAADMO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)N1 ZINC001155571022 1073918562 /nfs/dbraw/zinc/91/85/62/1073918562.db2.gz QTDLVDCLBCVZEK-YVEFUNNKSA-N 1 1 390.448 -1.465 20 0 GAADMO COC(=O)[C@@H]1C[C@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CN1 ZINC001156242277 1073921209 /nfs/dbraw/zinc/92/12/09/1073921209.db2.gz FPXHVNFRDDXVIH-STQMWFEESA-N 1 1 393.448 -1.718 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001156962946 1073923092 /nfs/dbraw/zinc/92/30/92/1073923092.db2.gz VJAYAOICOQGKSG-UHFFFAOYSA-N 1 1 391.538 -1.474 20 0 GAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001157193215 1073923758 /nfs/dbraw/zinc/92/37/58/1073923758.db2.gz BDMCWHPBFBKLDB-FUDCBSFHSA-N 1 1 392.464 -1.622 20 0 GAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c2cc(Br)cnc21 ZINC001157216358 1073923678 /nfs/dbraw/zinc/92/36/78/1073923678.db2.gz MRGPPUDPECNDBH-JBLDHEPKSA-N 1 1 381.238 -1.137 20 0 GAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c2cc(Br)cnc21 ZINC001157216429 1073923870 /nfs/dbraw/zinc/92/38/70/1073923870.db2.gz MRGPPUDPECNDBH-JFGNBEQYSA-N 1 1 381.238 -1.137 20 0 GAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c2cc(Br)cnc21 ZINC001157216430 1073923647 /nfs/dbraw/zinc/92/36/47/1073923647.db2.gz MRGPPUDPECNDBH-NHCYSSNCSA-N 1 1 381.238 -1.137 20 0 GAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c2cc(Br)cnc21 ZINC001157216431 1073923740 /nfs/dbraw/zinc/92/37/40/1073923740.db2.gz MRGPPUDPECNDBH-SCVCMEIPSA-N 1 1 381.238 -1.137 20 0 GAADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1COC[NH2+]1)C(N)=O ZINC001157310421 1073924379 /nfs/dbraw/zinc/92/43/79/1073924379.db2.gz WVORGZPJFWYOIA-ILXRZTDVSA-N 1 1 378.429 -1.009 20 0 GAADMO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001157323581 1073924549 /nfs/dbraw/zinc/92/45/49/1073924549.db2.gz UODASVISRLQQJI-STQMWFEESA-N 1 1 379.465 -1.326 20 0 GAADMO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001157335694 1073924462 /nfs/dbraw/zinc/92/44/62/1073924462.db2.gz ISCNAEHLYDRUAH-AVGNSLFASA-N 1 1 384.481 -2.199 20 0 GAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)C(F)(F)Br ZINC001157435652 1073925652 /nfs/dbraw/zinc/92/56/52/1073925652.db2.gz ZYQMRXUHYYAYQZ-SECBINFHSA-N 1 1 386.241 -1.043 20 0 GAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)C(F)(F)Br ZINC001157435661 1073925854 /nfs/dbraw/zinc/92/58/54/1073925854.db2.gz ZYQMRXUHYYAYQZ-VIFPVBQESA-N 1 1 386.241 -1.043 20 0 GAADMO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157594934 1073927077 /nfs/dbraw/zinc/92/70/77/1073927077.db2.gz WHFDSGHAGXFBDQ-UHFFFAOYSA-N 1 1 384.458 -1.141 20 0 GAADMO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602133 1073927234 /nfs/dbraw/zinc/92/72/34/1073927234.db2.gz OPQWYMBDZCVXLJ-NOZJJQNGSA-N 1 1 375.472 -1.025 20 0 GAADMO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602140 1073927243 /nfs/dbraw/zinc/92/72/43/1073927243.db2.gz OPQWYMBDZCVXLJ-RNCFNFMXSA-N 1 1 375.472 -1.025 20 0 GAADMO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602142 1073927141 /nfs/dbraw/zinc/92/71/41/1073927141.db2.gz OPQWYMBDZCVXLJ-TVQRCGJNSA-N 1 1 375.472 -1.025 20 0 GAADMO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602143 1073927253 /nfs/dbraw/zinc/92/72/53/1073927253.db2.gz OPQWYMBDZCVXLJ-ZANVPECISA-N 1 1 375.472 -1.025 20 0 GAADMO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001157721000 1073927225 /nfs/dbraw/zinc/92/72/25/1073927225.db2.gz RIFVYHFQLHCDDS-JYJNAYRXSA-N 1 1 380.445 -1.814 20 0 GAADMO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001157721001 1073927090 /nfs/dbraw/zinc/92/70/90/1073927090.db2.gz RIFVYHFQLHCDDS-PMPSAXMXSA-N 1 1 380.445 -1.814 20 0 GAADMO COC(=O)c1cnc(-n2cnc(C[NH3+])n2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001157931414 1073928528 /nfs/dbraw/zinc/92/85/28/1073928528.db2.gz LCVANZFWHVKMMC-UHFFFAOYSA-N 1 1 382.402 -1.072 20 0 GAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC001157966958 1073929129 /nfs/dbraw/zinc/92/91/29/1073929129.db2.gz AHTVGAGNBJGHQX-AWEZNQCLSA-N 1 1 390.444 -2.533 20 0 GAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC001157966959 1073929341 /nfs/dbraw/zinc/92/93/41/1073929341.db2.gz AHTVGAGNBJGHQX-CQSZACIVSA-N 1 1 390.444 -2.533 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070463 1073930036 /nfs/dbraw/zinc/93/00/36/1073930036.db2.gz IXTQSXQIMAEVAM-UHFFFAOYSA-N 1 1 384.437 -3.725 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076857 1073929974 /nfs/dbraw/zinc/92/99/74/1073929974.db2.gz NPVSKCUXTPCYEG-KBPBESRZSA-N 1 1 381.477 -1.578 20 0 GAADMO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091733 1073930430 /nfs/dbraw/zinc/93/04/30/1073930430.db2.gz HNGBRSJFKKWEPX-SJCJKPOMSA-N 1 1 375.433 -1.996 20 0 GAADMO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091734 1073930473 /nfs/dbraw/zinc/93/04/73/1073930473.db2.gz HNGBRSJFKKWEPX-YVEFUNNKSA-N 1 1 375.433 -1.996 20 0 GAADMO CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102205 1073930586 /nfs/dbraw/zinc/93/05/86/1073930586.db2.gz PEYDYALGQDGHGC-CKFHNAJUSA-N 1 1 395.504 -1.190 20 0 GAADMO CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102206 1073930593 /nfs/dbraw/zinc/93/05/93/1073930593.db2.gz PEYDYALGQDGHGC-NJSLBKSFSA-N 1 1 395.504 -1.190 20 0 GAADMO NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102443 1073930578 /nfs/dbraw/zinc/93/05/78/1073930578.db2.gz SACPDUJSGFUBSE-JXFKEZNVSA-N 1 1 398.467 -1.156 20 0 GAADMO NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102444 1073930495 /nfs/dbraw/zinc/93/04/95/1073930495.db2.gz SACPDUJSGFUBSE-OXJNMPFZSA-N 1 1 398.467 -1.156 20 0 GAADMO [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102943 1073930543 /nfs/dbraw/zinc/93/05/43/1073930543.db2.gz YJHGOWNYWZJVAL-HZMBPMFUSA-N 1 1 379.383 -1.147 20 0 GAADMO [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102944 1073930570 /nfs/dbraw/zinc/93/05/70/1073930570.db2.gz YJHGOWNYWZJVAL-IINYFYTJSA-N 1 1 379.383 -1.147 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102977 1073930599 /nfs/dbraw/zinc/93/05/99/1073930599.db2.gz ZHYPXVGDWPOOAM-NVGCLXPQSA-N 1 1 380.449 -2.869 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102978 1073930614 /nfs/dbraw/zinc/93/06/14/1073930614.db2.gz ZHYPXVGDWPOOAM-PRXAMGSTSA-N 1 1 380.449 -2.869 20 0 GAADMO O=C(c1cnn2c1nccc2[C@@H]1CNCCO1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111887 1073931205 /nfs/dbraw/zinc/93/12/05/1073931205.db2.gz RZYVZGBLBJRXEQ-KBXCAEBGSA-N 1 1 385.428 -1.306 20 0 GAADMO O=C(c1cnn2c1nccc2[C@H]1CNCCO1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111891 1073931240 /nfs/dbraw/zinc/93/12/40/1073931240.db2.gz RZYVZGBLBJRXEQ-KDOFPFPSSA-N 1 1 385.428 -1.306 20 0 GAADMO O=C(c1cnn2c1nccc2[C@@H]1CNCCO1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111893 1073931671 /nfs/dbraw/zinc/93/16/71/1073931671.db2.gz RZYVZGBLBJRXEQ-KSSFIOAISA-N 1 1 385.428 -1.306 20 0 GAADMO O=C(c1cnn2c1nccc2[C@H]1CNCCO1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111896 1073931811 /nfs/dbraw/zinc/93/18/11/1073931811.db2.gz RZYVZGBLBJRXEQ-RDTXWAMCSA-N 1 1 385.428 -1.306 20 0 GAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120614 1073931976 /nfs/dbraw/zinc/93/19/76/1073931976.db2.gz OLDQFGSDRYJFOI-MGPUTAFESA-N 1 1 385.468 -1.389 20 0 GAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120619 1073931749 /nfs/dbraw/zinc/93/17/49/1073931749.db2.gz OLDQFGSDRYJFOI-YWZLYKJASA-N 1 1 385.468 -1.389 20 0 GAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121455 1073931705 /nfs/dbraw/zinc/93/17/05/1073931705.db2.gz UMOQMFJVQHLDFD-KPZWWZAWSA-N 1 1 381.477 -1.817 20 0 GAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121456 1073931691 /nfs/dbraw/zinc/93/16/91/1073931691.db2.gz UMOQMFJVQHLDFD-SGTLLEGYSA-N 1 1 381.477 -1.817 20 0 GAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121489 1073931848 /nfs/dbraw/zinc/93/18/48/1073931848.db2.gz UYCDBNRCFQDKHV-MGPUTAFESA-N 1 1 385.468 -1.389 20 0 GAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121490 1073931826 /nfs/dbraw/zinc/93/18/26/1073931826.db2.gz UYCDBNRCFQDKHV-YWZLYKJASA-N 1 1 385.468 -1.389 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179081 1073932332 /nfs/dbraw/zinc/93/23/32/1073932332.db2.gz GVOYFNBVKHHYAD-BSWAZPDLSA-N 1 1 392.456 -1.814 20 0 GAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277477 1073932938 /nfs/dbraw/zinc/93/29/38/1073932938.db2.gz OZDLNKHVQGUOBR-ZDUSSCGKSA-N 1 1 393.492 -1.042 20 0 GAADMO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCS(=O)(=O)CC1 ZINC001158370817 1073933642 /nfs/dbraw/zinc/93/36/42/1073933642.db2.gz SMLZAZFGERPGOI-KBPBESRZSA-N 1 1 385.442 -2.004 20 0 GAADMO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)[C@@H](N)COC(C)(C)C ZINC001158506390 1073934115 /nfs/dbraw/zinc/93/41/15/1073934115.db2.gz OWHMJUAYDZUYQF-XDQVBPFNSA-N 1 1 384.477 -1.003 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517048 1073934131 /nfs/dbraw/zinc/93/41/31/1073934131.db2.gz SUBASPQZXRMMQR-FIDHJVLJSA-N 1 1 391.472 -1.032 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517049 1073934039 /nfs/dbraw/zinc/93/40/39/1073934039.db2.gz SUBASPQZXRMMQR-MZBWOGCUSA-N 1 1 391.472 -1.032 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517050 1073934151 /nfs/dbraw/zinc/93/41/51/1073934151.db2.gz SUBASPQZXRMMQR-WRQOLXDDSA-N 1 1 391.472 -1.032 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517051 1073934186 /nfs/dbraw/zinc/93/41/86/1073934186.db2.gz SUBASPQZXRMMQR-ZHCJQAHYSA-N 1 1 391.472 -1.032 20 0 GAADMO NC(=O)c1cn(CCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001158517326 1073934168 /nfs/dbraw/zinc/93/41/68/1073934168.db2.gz MTPOYRVHTDIOIY-GFCCVEGCSA-N 1 1 379.417 -1.239 20 0 GAADMO NC(=O)c1cn(CCC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001158517329 1073934092 /nfs/dbraw/zinc/93/40/92/1073934092.db2.gz MTPOYRVHTDIOIY-LBPRGKRZSA-N 1 1 379.417 -1.239 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532843 1073934072 /nfs/dbraw/zinc/93/40/72/1073934072.db2.gz FHLPRCBEDCDHDN-PSTGCABASA-N 1 1 396.448 -3.727 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532849 1073934723 /nfs/dbraw/zinc/93/47/23/1073934723.db2.gz FHLPRCBEDCDHDN-XWCIJXRUSA-N 1 1 396.448 -3.727 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548761 1073934740 /nfs/dbraw/zinc/93/47/40/1073934740.db2.gz YWOAKPRGCXLMOA-KVMGVCFTSA-N 1 1 393.488 -1.580 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548762 1073934750 /nfs/dbraw/zinc/93/47/50/1073934750.db2.gz YWOAKPRGCXLMOA-WSVVRNJXSA-N 1 1 393.488 -1.580 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158580046 1073934648 /nfs/dbraw/zinc/93/46/48/1073934648.db2.gz ZRYGZGFVJMBKMK-CRWXNKLISA-N 1 1 383.468 -1.024 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158580047 1073934769 /nfs/dbraw/zinc/93/47/69/1073934769.db2.gz ZRYGZGFVJMBKMK-DGAVXFQQSA-N 1 1 383.468 -1.024 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158580048 1073934795 /nfs/dbraw/zinc/93/47/95/1073934795.db2.gz ZRYGZGFVJMBKMK-FQUUOJAGSA-N 1 1 383.468 -1.024 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158580049 1073934614 /nfs/dbraw/zinc/93/46/14/1073934614.db2.gz ZRYGZGFVJMBKMK-XUXIUFHCSA-N 1 1 383.468 -1.024 20 0 GAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001158630130 1073934568 /nfs/dbraw/zinc/93/45/68/1073934568.db2.gz MHAUNENQZXISBR-KBPBESRZSA-N 1 1 391.476 -1.161 20 0 GAADMO N[C@H]1C[NH2+][C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001158630138 1073934781 /nfs/dbraw/zinc/93/47/81/1073934781.db2.gz MHAUNENQZXISBR-KGLIPLIRSA-N 1 1 391.476 -1.161 20 0 GAADMO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158658957 1073935318 /nfs/dbraw/zinc/93/53/18/1073935318.db2.gz NICUBCLMFXEYQZ-AWEZNQCLSA-N 1 1 385.428 -1.026 20 0 GAADMO O=C([C@H]1COC2(C[NH2+]C2)CN1)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158658959 1073935303 /nfs/dbraw/zinc/93/53/03/1073935303.db2.gz NICUBCLMFXEYQZ-CQSZACIVSA-N 1 1 385.428 -1.026 20 0 GAADMO 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MBWLKTDCUQSVNF-AWEZNQCLSA-N 1 1 379.465 -1.028 20 0 GAADMO Cn1nnnc1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001159011950 1073943693 /nfs/dbraw/zinc/94/36/93/1073943693.db2.gz MBWLKTDCUQSVNF-CQSZACIVSA-N 1 1 379.465 -1.028 20 0 GAADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)CNCCC[NH3+])CC2 ZINC001159074010 1073944317 /nfs/dbraw/zinc/94/43/17/1073944317.db2.gz HAWWSEUDHYYYDT-UHFFFAOYSA-N 1 1 377.493 -1.369 20 0 GAADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CC2 ZINC001159076159 1073944288 /nfs/dbraw/zinc/94/42/88/1073944288.db2.gz SFQOYSUYEGXJPH-JSGCOSHPSA-N 1 1 375.477 -1.618 20 0 GAADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC2 ZINC001159076160 1073944360 /nfs/dbraw/zinc/94/43/60/1073944360.db2.gz SFQOYSUYEGXJPH-OCCSQVGLSA-N 1 1 375.477 -1.618 20 0 GAADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC001159076329 1073944214 /nfs/dbraw/zinc/94/42/14/1073944214.db2.gz UCQQFIQLVJKKOL-AWEZNQCLSA-N 1 1 376.461 -1.319 20 0 GAADMO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CN2CCC([NH3+])CC2)cn1 ZINC001159090710 1073944906 /nfs/dbraw/zinc/94/49/06/1073944906.db2.gz HQHUJQCXJBMHDO-HRCADAONSA-N 1 1 375.477 -1.123 20 0 GAADMO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H](N)CN2CCC([NH3+])CC2)cn1 ZINC001159090712 1073945099 /nfs/dbraw/zinc/94/50/99/1073945099.db2.gz HQHUJQCXJBMHDO-OWCLPIDISA-N 1 1 375.477 -1.123 20 0 GAADMO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C2)C1 ZINC001159123048 1073945629 /nfs/dbraw/zinc/94/56/29/1073945629.db2.gz CYCBUTUPCQEKLQ-CRAIPNDOSA-N 1 1 378.477 -1.034 20 0 GAADMO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C2)C1 ZINC001159123049 1073945683 /nfs/dbraw/zinc/94/56/83/1073945683.db2.gz CYCBUTUPCQEKLQ-MAUKXSAKSA-N 1 1 378.477 -1.034 20 0 GAADMO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C2)C1 ZINC001159123050 1073945858 /nfs/dbraw/zinc/94/58/58/1073945858.db2.gz CYCBUTUPCQEKLQ-QAPCUYQASA-N 1 1 378.477 -1.034 20 0 GAADMO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C2)C1 ZINC001159123051 1073945814 /nfs/dbraw/zinc/94/58/14/1073945814.db2.gz CYCBUTUPCQEKLQ-YJBOKZPZSA-N 1 1 378.477 -1.034 20 0 GAADMO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CC[C@H]([NH3+])C(=O)OC)C2)C1 ZINC001159125398 1073946517 /nfs/dbraw/zinc/94/65/17/1073946517.db2.gz WHDPZMGRTAIMRF-KBXCAEBGSA-N 1 1 384.477 -1.046 20 0 GAADMO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CC[C@H]([NH3+])C(=O)OC)C2)C1 ZINC001159125399 1073946465 /nfs/dbraw/zinc/94/64/65/1073946465.db2.gz WHDPZMGRTAIMRF-KSSFIOAISA-N 1 1 384.477 -1.046 20 0 GAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001159135778 1073947379 /nfs/dbraw/zinc/94/73/79/1073947379.db2.gz ZJWZUELQUKAQFO-QCEMKRCNSA-N 1 1 388.472 -1.036 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159159191 1073947399 /nfs/dbraw/zinc/94/73/99/1073947399.db2.gz YCPAAKWKXFRKAF-ZFWWWQNUSA-N 1 1 378.477 -1.312 20 0 GAADMO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCN1C(=O)CN)CC2 ZINC001159191046 1073948074 /nfs/dbraw/zinc/94/80/74/1073948074.db2.gz QRUXSJGBEGRULJ-ZDUSSCGKSA-N 1 1 392.460 -1.200 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159192408 1073948098 /nfs/dbraw/zinc/94/80/98/1073948098.db2.gz RKEJUFYXNDBHPD-JQWIXIFHSA-N 1 1 396.448 -2.325 20 0 GAADMO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)C[C@@H]21 ZINC001159202487 1073947868 /nfs/dbraw/zinc/94/78/68/1073947868.db2.gz IGBZLNKMRDFMSM-QMCVQRASSA-N 1 1 396.536 -1.129 20 0 GAADMO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)C[C@@H]21 ZINC001159202488 1073947885 /nfs/dbraw/zinc/94/78/85/1073947885.db2.gz IGBZLNKMRDFMSM-QSPRXWTASA-N 1 1 396.536 -1.129 20 0 GAADMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H](N)CN2CCC([NH3+])CC2)cn1 ZINC001159235840 1073948661 /nfs/dbraw/zinc/94/86/61/1073948661.db2.gz FMTOMDVMHBQNKW-IXDOHACOSA-N 1 1 389.504 -1.014 20 0 GAADMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CN2CCC([NH3+])CC2)cn1 ZINC001159235841 1073948707 /nfs/dbraw/zinc/94/87/07/1073948707.db2.gz FMTOMDVMHBQNKW-YESZJQIVSA-N 1 1 389.504 -1.014 20 0 GAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273145 1073949442 /nfs/dbraw/zinc/94/94/42/1073949442.db2.gz PLXJAGZCAUMHCZ-OAGGEKHMSA-N 1 1 375.477 -1.357 20 0 GAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273148 1073949210 /nfs/dbraw/zinc/94/92/10/1073949210.db2.gz PLXJAGZCAUMHCZ-XHSDSOJGSA-N 1 1 375.477 -1.357 20 0 GAADMO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H](N)CN4CCC([NH3+])CC4)C[C@H]32)nn1 ZINC001159297393 1073949184 /nfs/dbraw/zinc/94/91/84/1073949184.db2.gz JWDAUEGPQLZQIC-BBWFWOEESA-N 1 1 389.504 -1.049 20 0 GAADMO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H](N)CN4CCC([NH3+])CC4)C[C@H]32)nn1 ZINC001159297394 1073949391 /nfs/dbraw/zinc/94/93/91/1073949391.db2.gz JWDAUEGPQLZQIC-ZACQAIPSSA-N 1 1 389.504 -1.049 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402281 1073950073 /nfs/dbraw/zinc/95/00/73/1073950073.db2.gz GLXONNWDQZPESZ-YYFQZIEXSA-N 1 1 392.460 -1.742 20 0 GAADMO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2COC4(C[NH2+]C4)CN2)CC3)CC1 ZINC001159416957 1073949818 /nfs/dbraw/zinc/94/98/18/1073949818.db2.gz IRUGXBHLVJFUKW-INIZCTEOSA-N 1 1 389.504 -1.697 20 0 GAADMO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2COC4(C[NH2+]C4)CN2)CC3)CC1 ZINC001159416961 1073949852 /nfs/dbraw/zinc/94/98/52/1073949852.db2.gz IRUGXBHLVJFUKW-MRXNPFEDSA-N 1 1 389.504 -1.697 20 0 GAADMO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC3)CC1 ZINC001159417533 1073950213 /nfs/dbraw/zinc/95/02/13/1073950213.db2.gz UGADEXWLHHJSSZ-OAHLLOKOSA-N 1 1 392.508 -1.252 20 0 GAADMO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC3)CC1 ZINC001159424278 1073950159 /nfs/dbraw/zinc/95/01/59/1073950159.db2.gz IHGCCHAQGUEZAU-INIZCTEOSA-N 1 1 389.504 -1.078 20 0 GAADMO O=C([C@@H]1COC[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458052 1073950702 /nfs/dbraw/zinc/95/07/02/1073950702.db2.gz LXUAKQFNLDGDOT-RFQIPJPRSA-N 1 1 387.458 -1.947 20 0 GAADMO O=C([C@@H]1COC[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458053 1073950617 /nfs/dbraw/zinc/95/06/17/1073950617.db2.gz LXUAKQFNLDGDOT-YIYPIFLZSA-N 1 1 387.458 -1.947 20 0 GAADMO NCC[NH2+]CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459086 1073950630 /nfs/dbraw/zinc/95/06/30/1073950630.db2.gz VCJMMVYYNUJNKT-BFHYXJOUSA-N 1 1 388.490 -2.345 20 0 GAADMO NCC[NH2+]CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459087 1073950557 /nfs/dbraw/zinc/95/05/57/1073950557.db2.gz VCJMMVYYNUJNKT-MGPQQGTHSA-N 1 1 388.490 -2.345 20 0 GAADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)CCC2 ZINC001159481484 1073951496 /nfs/dbraw/zinc/95/14/96/1073951496.db2.gz RCWHJKYOPORETJ-ZDUSSCGKSA-N 1 1 389.464 -1.101 20 0 GAADMO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491183 1073951397 /nfs/dbraw/zinc/95/13/97/1073951397.db2.gz BAUIJUVAGYBNFZ-ZDUSSCGKSA-N 1 1 376.417 -1.326 20 0 GAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493415 1073952130 /nfs/dbraw/zinc/95/21/30/1073952130.db2.gz OEOYENCXGZPQCG-AWEZNQCLSA-N 1 1 391.476 -1.525 20 0 GAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493416 1073952189 /nfs/dbraw/zinc/95/21/89/1073952189.db2.gz OEOYENCXGZPQCG-CQSZACIVSA-N 1 1 391.476 -1.525 20 0 GAADMO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493436 1073952013 /nfs/dbraw/zinc/95/20/13/1073952013.db2.gz OTHQPTUQQKWLIA-LLVKDONJSA-N 1 1 379.421 -1.500 20 0 GAADMO O=C(c1[nH]nc2c1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2)N1CCOCC1 ZINC001159493831 1073952048 /nfs/dbraw/zinc/95/20/48/1073952048.db2.gz ROBDPQUSFZBJCU-CYBMUJFWSA-N 1 1 376.417 -1.945 20 0 GAADMO O=C(c1[nH]nc2c1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2)N1CCOCC1 ZINC001159493832 1073952197 /nfs/dbraw/zinc/95/21/97/1073952197.db2.gz ROBDPQUSFZBJCU-ZDUSSCGKSA-N 1 1 376.417 -1.945 20 0 GAADMO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)C2 ZINC001159519652 1073952820 /nfs/dbraw/zinc/95/28/20/1073952820.db2.gz LEDASKBCGOWANT-HNNXBMFYSA-N 1 1 392.508 -1.261 20 0 GAADMO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)C2 ZINC001159519653 1073952638 /nfs/dbraw/zinc/95/26/38/1073952638.db2.gz LEDASKBCGOWANT-OAHLLOKOSA-N 1 1 392.508 -1.261 20 0 GAADMO O=C([C@@H]1COC[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593346 1073953895 /nfs/dbraw/zinc/95/38/95/1073953895.db2.gz DEEXTMVEYFGGRM-AESZEHBQSA-N 1 1 394.453 -1.089 20 0 GAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159608505 1073954487 /nfs/dbraw/zinc/95/44/87/1073954487.db2.gz ILTUJXUJMZFALM-QBPKDAKJSA-N 1 1 379.505 -1.121 20 0 GAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159608506 1073954596 /nfs/dbraw/zinc/95/45/96/1073954596.db2.gz ILTUJXUJMZFALM-YYIAUSFCSA-N 1 1 379.505 -1.121 20 0 GAADMO CC(=O)OC[C@H](N)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610382 1073955313 /nfs/dbraw/zinc/95/53/13/1073955313.db2.gz QVELSYMGDIYSPK-HNNXBMFYSA-N 1 1 383.493 -1.426 20 0 GAADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001159652910 1073956513 /nfs/dbraw/zinc/95/65/13/1073956513.db2.gz MRFIMWVVNYZZBQ-ALKREAHSSA-N 1 1 386.456 -1.063 20 0 GAADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001159652911 1073956307 /nfs/dbraw/zinc/95/63/07/1073956307.db2.gz MRFIMWVVNYZZBQ-QOKNQOGYSA-N 1 1 386.456 -1.063 20 0 GAADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001159652912 1073956355 /nfs/dbraw/zinc/95/63/55/1073956355.db2.gz MRFIMWVVNYZZBQ-SIXWZSSISA-N 1 1 386.456 -1.063 20 0 GAADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001159652913 1073956486 /nfs/dbraw/zinc/95/64/86/1073956486.db2.gz MRFIMWVVNYZZBQ-URLQWDBASA-N 1 1 386.456 -1.063 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668160 1073956925 /nfs/dbraw/zinc/95/69/25/1073956925.db2.gz WUEWXXVKVCRMHU-HJWJTTGWSA-N 1 1 391.472 -1.292 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668160 1073956920 /nfs/dbraw/zinc/95/69/20/1073956920.db2.gz WUEWXXVKVCRMHU-HJWJTTGWSA-N 1 1 391.472 -1.292 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668161 1073956905 /nfs/dbraw/zinc/95/69/05/1073956905.db2.gz WUEWXXVKVCRMHU-LLLHUVSDSA-N 1 1 391.472 -1.292 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668161 1073956900 /nfs/dbraw/zinc/95/69/00/1073956900.db2.gz WUEWXXVKVCRMHU-LLLHUVSDSA-N 1 1 391.472 -1.292 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668162 1073956994 /nfs/dbraw/zinc/95/69/94/1073956994.db2.gz WUEWXXVKVCRMHU-ORQFMDKSSA-N 1 1 391.472 -1.292 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668162 1073956988 /nfs/dbraw/zinc/95/69/88/1073956988.db2.gz WUEWXXVKVCRMHU-ORQFMDKSSA-N 1 1 391.472 -1.292 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668163 1073957024 /nfs/dbraw/zinc/95/70/24/1073957024.db2.gz WUEWXXVKVCRMHU-SVGFKBNWSA-N 1 1 391.472 -1.292 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668163 1073957020 /nfs/dbraw/zinc/95/70/20/1073957020.db2.gz WUEWXXVKVCRMHU-SVGFKBNWSA-N 1 1 391.472 -1.292 20 0 GAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001159850799 1073958675 /nfs/dbraw/zinc/95/86/75/1073958675.db2.gz OTPJZTDLRJQGOO-HDMKZQKVSA-N 1 1 382.461 -1.545 20 0 GAADMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001159850800 1073958585 /nfs/dbraw/zinc/95/85/85/1073958585.db2.gz OTPJZTDLRJQGOO-RLFYNMQTSA-N 1 1 382.461 -1.545 20 0 GAADMO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001159915965 1073959344 /nfs/dbraw/zinc/95/93/44/1073959344.db2.gz NJCJLGFKLCGBJV-CYBMUJFWSA-N 1 1 398.485 -1.151 20 0 GAADMO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001159915966 1073959361 /nfs/dbraw/zinc/95/93/61/1073959361.db2.gz NJCJLGFKLCGBJV-ZDUSSCGKSA-N 1 1 398.485 -1.151 20 0 GAADMO CCN1C(=O)CO[C@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)[C@H]1c1nccn1C ZINC001159917314 1073959372 /nfs/dbraw/zinc/95/93/72/1073959372.db2.gz ZCQQPYKGKAQITF-HOTGVXAUSA-N 1 1 392.460 -1.401 20 0 GAADMO COCCN1CCO[C@H]2CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)CC[C@H]2C1=O ZINC001159918177 1073959314 /nfs/dbraw/zinc/95/93/14/1073959314.db2.gz SDWLIDIEFMFHNP-IKGGRYGDSA-N 1 1 397.520 -1.541 20 0 GAADMO COCCN1CCO[C@H]2CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)CC[C@H]2C1=O ZINC001159918178 1073959196 /nfs/dbraw/zinc/95/91/96/1073959196.db2.gz SDWLIDIEFMFHNP-ZACQAIPSSA-N 1 1 397.520 -1.541 20 0 GAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001160008585 1073960478 /nfs/dbraw/zinc/96/04/78/1073960478.db2.gz ZMZFPULCHADQDJ-AGIUHOORSA-N 1 1 376.479 -1.146 20 0 GAADMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)CNCCC[NH3+])CC[C@@H]32)cn1 ZINC001160085944 1073961088 /nfs/dbraw/zinc/96/10/88/1073961088.db2.gz OSPVTOOEHNPMJY-HRCADAONSA-N 1 1 378.477 -1.048 20 0 GAADMO CS(=O)(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160086071 1073961592 /nfs/dbraw/zinc/96/15/92/1073961592.db2.gz ASYANADXBAHBAO-LHNIVKCTSA-N 1 1 397.413 -1.803 20 0 GAADMO COC(=O)c1nccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160086085 1073961529 /nfs/dbraw/zinc/96/15/29/1073961529.db2.gz BGSXQAKNMYZEOW-GCUAXGRVSA-N 1 1 378.345 -2.024 20 0 GAADMO CCN(C)c1cc(C)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160086098 1073961573 /nfs/dbraw/zinc/96/15/73/1073961573.db2.gz BLVLOZQBSZJAEI-JUDXGUMMSA-N 1 1 391.432 -1.046 20 0 GAADMO COC(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1C ZINC001160086146 1073961543 /nfs/dbraw/zinc/96/15/43/1073961543.db2.gz CIKHNZCDLQVCOM-BPGGGUHBSA-N 1 1 391.384 -1.111 20 0 GAADMO COC(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160086361 1073961615 /nfs/dbraw/zinc/96/16/15/1073961615.db2.gz GFBSZVNONUDOCM-XIDUGBJDSA-N 1 1 377.357 -1.419 20 0 GAADMO CCOC(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160086378 1073961662 /nfs/dbraw/zinc/96/16/62/1073961662.db2.gz HESLEAHVYNMIQS-JUDXGUMMSA-N 1 1 391.384 -1.029 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4cnc(F)cc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086509 1073961626 /nfs/dbraw/zinc/96/16/26/1073961626.db2.gz JANWPHCEJOQCTE-QGMIFYJMSA-N 1 1 389.347 -1.124 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3COC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086582 1073961647 /nfs/dbraw/zinc/96/16/47/1073961647.db2.gz JQDDFRYJWPXNKD-UORFTKCHSA-N 1 1 396.791 -1.127 20 0 GAADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1N ZINC001160086625 1073961587 /nfs/dbraw/zinc/96/15/87/1073961587.db2.gz JWAGHSPHRMPTNL-ICGCDAGXSA-N 1 1 392.372 -1.837 20 0 GAADMO COc1nc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160086877 1073961636 /nfs/dbraw/zinc/96/16/36/1073961636.db2.gz LSQPOSFKGFAYOP-ZOQUXTDFSA-N 1 1 385.768 -1.754 20 0 GAADMO Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc(N(C)C)n1 ZINC001160086948 1073961596 /nfs/dbraw/zinc/96/15/96/1073961596.db2.gz NQOXKTOHXQJIKX-SEWBAHNZSA-N 1 1 377.405 -1.437 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4nc[nH]c43)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086957 1073962211 /nfs/dbraw/zinc/96/22/11/1073962211.db2.gz NYHYEZBFWJBDIK-MUIQIWNUSA-N 1 1 394.779 -1.281 20 0 GAADMO COc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(OC)n1 ZINC001160087037 1073962284 /nfs/dbraw/zinc/96/22/84/1073962284.db2.gz PLXWOMDEYFLAJH-PIZZUKIDSA-N 1 1 380.361 -1.794 20 0 GAADMO CCOC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001160087039 1073962336 /nfs/dbraw/zinc/96/23/36/1073962336.db2.gz POKCZRYPPSYJCM-ICGCDAGXSA-N 1 1 392.372 -1.634 20 0 GAADMO COC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001160087045 1073962200 /nfs/dbraw/zinc/96/22/00/1073962200.db2.gz PQMSEJGRRDGIID-HUXSOILUSA-N 1 1 378.345 -2.024 20 0 GAADMO COC(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160087047 1073962294 /nfs/dbraw/zinc/96/22/94/1073962294.db2.gz PUAVXLOSVCHNTJ-HJQYOEGKSA-N 1 1 378.345 -2.024 20 0 GAADMO NC(=O)c1cc(Cl)cnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087053 1073962083 /nfs/dbraw/zinc/96/20/83/1073962083.db2.gz PZIYYJQHVOHWLV-IDTAVKCVSA-N 1 1 396.791 -1.454 20 0 GAADMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[C@H](N)C[NH2+]4)CC[C@@H]32)cn1 ZINC001160087108 1073962121 /nfs/dbraw/zinc/96/21/21/1073962121.db2.gz XYMWGOJMJITMEF-UVPYHEFZSA-N 1 1 376.461 -1.297 20 0 GAADMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[C@@H](N)C[NH2+]4)CC[C@@H]32)cn1 ZINC001160087109 1073962312 /nfs/dbraw/zinc/96/23/12/1073962312.db2.gz XYMWGOJMJITMEF-XFIYOXNOSA-N 1 1 376.461 -1.297 20 0 GAADMO NS(=O)(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087121 1073962151 /nfs/dbraw/zinc/96/21/51/1073962151.db2.gz QIIROZKBZDQVDB-GDECHXLSSA-N 1 1 398.401 -2.559 20 0 GAADMO COC(=O)c1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160087147 1073962190 /nfs/dbraw/zinc/96/21/90/1073962190.db2.gz RBHVPVBQEDQNET-ICGCDAGXSA-N 1 1 377.357 -1.419 20 0 GAADMO COc1cc(OC)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160087160 1073962165 /nfs/dbraw/zinc/96/21/65/1073962165.db2.gz REFBREVKABUULN-PIZZUKIDSA-N 1 1 380.361 -1.794 20 0 GAADMO CCOC(=O)c1cncnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087177 1073962176 /nfs/dbraw/zinc/96/21/76/1073962176.db2.gz RGYURVZWBAGCIA-XIDUGBJDSA-N 1 1 392.372 -1.634 20 0 GAADMO COC(=O)c1cc(F)cnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087179 1073962241 /nfs/dbraw/zinc/96/22/41/1073962241.db2.gz RIWVVUYHRYSJKB-XIDUGBJDSA-N 1 1 395.347 -1.280 20 0 GAADMO NC(=O)c1cc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160087194 1073962276 /nfs/dbraw/zinc/96/22/76/1073962276.db2.gz RJOUWBPMJWANHG-UBPLGANQSA-N 1 1 396.791 -1.454 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc(Cl)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087231 1073962104 /nfs/dbraw/zinc/96/21/04/1073962104.db2.gz RVSSDAUVRAZNNL-XVFCMESISA-N 1 1 390.187 -1.109 20 0 GAADMO CN(C)c1nc(Cl)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160087278 1073962230 /nfs/dbraw/zinc/96/22/30/1073962230.db2.gz SJRHVOPWHFOICO-PIZZUKIDSA-N 1 1 397.823 -1.092 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nccc(N4CCCC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087367 1073962713 /nfs/dbraw/zinc/96/27/13/1073962713.db2.gz UKPPSNYYGRLNLC-JUDXGUMMSA-N 1 1 389.416 -1.211 20 0 GAADMO COc1cnc(Cl)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087373 1073962766 /nfs/dbraw/zinc/96/27/66/1073962766.db2.gz UQUXQNFVWCFMHS-UGKPPGOTSA-N 1 1 384.780 -1.149 20 0 GAADMO COc1cnc(SC)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087374 1073962718 /nfs/dbraw/zinc/96/27/18/1073962718.db2.gz UTIDDIDHFWSLOK-UORFTKCHSA-N 1 1 396.429 -1.081 20 0 GAADMO NC(=O)c1cnc(Cl)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087375 1073962803 /nfs/dbraw/zinc/96/28/03/1073962803.db2.gz UUPPTGJQSZRZBM-WOUKDFQISA-N 1 1 397.779 -2.059 20 0 GAADMO COC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160087391 1073962645 /nfs/dbraw/zinc/96/26/45/1073962645.db2.gz VHQRGHFTYKUICQ-HJQYOEGKSA-N 1 1 378.345 -2.024 20 0 GAADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1F ZINC001160087402 1073962674 /nfs/dbraw/zinc/96/26/74/1073962674.db2.gz VOZKYGWGUUNDDE-ICGCDAGXSA-N 1 1 395.347 -1.280 20 0 GAADMO NC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1Cl ZINC001160087557 1073962739 /nfs/dbraw/zinc/96/27/39/1073962739.db2.gz WNJODXGFLIAQAP-LHNIVKCTSA-N 1 1 396.791 -1.454 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nccc(NC4CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087575 1073962816 /nfs/dbraw/zinc/96/28/16/1073962816.db2.gz XLDHBCWOOHCCIE-ICGCDAGXSA-N 1 1 375.389 -1.237 20 0 GAADMO COC(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160087584 1073962656 /nfs/dbraw/zinc/96/26/56/1073962656.db2.gz XRPDLKJTTQYTLU-ICGCDAGXSA-N 1 1 377.357 -1.419 20 0 GAADMO COC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(C)c1 ZINC001160087593 1073962695 /nfs/dbraw/zinc/96/26/95/1073962695.db2.gz YDBKKCDARLIWNC-BPGGGUHBSA-N 1 1 391.384 -1.111 20 0 GAADMO COC(=O)c1ccc(C)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087612 1073962686 /nfs/dbraw/zinc/96/26/86/1073962686.db2.gz YWWFKZPADAZTDX-BPGGGUHBSA-N 1 1 391.384 -1.111 20 0 GAADMO COc1nc(Cl)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160087619 1073962638 /nfs/dbraw/zinc/96/26/38/1073962638.db2.gz ZDUNNTZIDQQAKW-GUOLCYNNSA-N 1 1 384.780 -1.149 20 0 GAADMO NS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160087736 1073963469 /nfs/dbraw/zinc/96/34/69/1073963469.db2.gz ACFRFDNJDWHPNQ-HUXSOILUSA-N 1 1 398.401 -2.559 20 0 GAADMO CNC(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160087740 1073963322 /nfs/dbraw/zinc/96/33/22/1073963322.db2.gz AFTSJSYUVGCNPW-QGMIFYJMSA-N 1 1 376.373 -1.846 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(n3)OCC(=O)N4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087770 1073963423 /nfs/dbraw/zinc/96/34/23/1073963423.db2.gz AZMNNFJZALGQHE-AXTGTSHSSA-N 1 1 390.356 -1.709 20 0 GAADMO COC(=O)Cc1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160087791 1073963337 /nfs/dbraw/zinc/96/33/37/1073963337.db2.gz BFIZFJULDKTMMX-HMTTWLPMSA-N 1 1 391.384 -1.491 20 0 GAADMO COc1cnnc(Cl)c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087798 1073963399 /nfs/dbraw/zinc/96/33/99/1073963399.db2.gz BLXFNMYPQGHUQI-GCUAXGRVSA-N 1 1 384.780 -1.149 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(OCC4CC4)ncn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087814 1073963452 /nfs/dbraw/zinc/96/34/52/1073963452.db2.gz CLWKGQBHGPUTCG-HMTTWLPMSA-N 1 1 390.400 -1.022 20 0 GAADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1C ZINC001160087823 1073963492 /nfs/dbraw/zinc/96/34/92/1073963492.db2.gz DCIASBAMHRWQJD-JUDXGUMMSA-N 1 1 391.384 -1.111 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(-n4ccnc4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087833 1073963483 /nfs/dbraw/zinc/96/34/83/1073963483.db2.gz DLCJGQIKMUGRBN-SEWBAHNZSA-N 1 1 386.372 -1.625 20 0 GAADMO CCNC(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087837 1073963270 /nfs/dbraw/zinc/96/32/70/1073963270.db2.gz DPJIBMAJCKMCKL-XNIJJKJLSA-N 1 1 390.400 -1.456 20 0 GAADMO COC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1C ZINC001160087839 1073963184 /nfs/dbraw/zinc/96/31/84/1073963184.db2.gz DRSJTJFDTTWZAI-JUDXGUMMSA-N 1 1 391.384 -1.111 20 0 GAADMO COC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(F)c1 ZINC001160087854 1073963363 /nfs/dbraw/zinc/96/33/63/1073963363.db2.gz FBFUXSMPBWQLGR-XIDUGBJDSA-N 1 1 395.347 -1.280 20 0 GAADMO NC(=O)c1nc(Cl)cnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087889 1073963350 /nfs/dbraw/zinc/96/33/50/1073963350.db2.gz GKYRCEKLRVDAFK-CMZFSVJKSA-N 1 1 397.779 -2.059 20 0 GAADMO COC(=O)c1cncnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087912 1073963286 /nfs/dbraw/zinc/96/32/86/1073963286.db2.gz HTOIYEOIJLPNJX-UORFTKCHSA-N 1 1 378.345 -2.024 20 0 GAADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncn1 ZINC001160087934 1073963379 /nfs/dbraw/zinc/96/33/79/1073963379.db2.gz INJWAWPJTQZVBZ-HUXSOILUSA-N 1 1 378.345 -2.024 20 0 GAADMO NC(=O)c1ncc(Cl)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087951 1073963242 /nfs/dbraw/zinc/96/32/42/1073963242.db2.gz JDYHQGUKMDYMHW-CMZFSVJKSA-N 1 1 397.779 -2.059 20 0 GAADMO C[C@@H]1C(=O)Nc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c21 ZINC001160087955 1073964081 /nfs/dbraw/zinc/96/40/81/1073964081.db2.gz JHSCSIJBEXADCJ-WERHYGNASA-N 1 1 389.372 -1.755 20 0 GAADMO C[C@H]1C(=O)Nc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c21 ZINC001160087956 1073964037 /nfs/dbraw/zinc/96/40/37/1073964037.db2.gz JHSCSIJBEXADCJ-YXZFXZLESA-N 1 1 389.372 -1.755 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nccc4c3NC(=O)CO4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087958 1073964056 /nfs/dbraw/zinc/96/40/56/1073964056.db2.gz JJSPZLFMOPQONA-MQMRNCCQSA-N 1 1 390.356 -1.875 20 0 GAADMO COc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(OC)c1 ZINC001160087973 1073964017 /nfs/dbraw/zinc/96/40/17/1073964017.db2.gz KDOYPSWWQWDNGT-SEWBAHNZSA-N 1 1 379.373 -1.189 20 0 GAADMO NC(=O)c1ccc(Cl)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087975 1073964050 /nfs/dbraw/zinc/96/40/50/1073964050.db2.gz KFLCDQGYSZWFFY-FRJWGUMJSA-N 1 1 396.791 -1.454 20 0 GAADMO CC(=O)Nc1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160087981 1073963982 /nfs/dbraw/zinc/96/39/82/1073963982.db2.gz KNNVXLFUFGUIPQ-SEWBAHNZSA-N 1 1 376.373 -1.248 20 0 GAADMO Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(N(C)C)n1 ZINC001160087990 1073963904 /nfs/dbraw/zinc/96/39/04/1073963904.db2.gz LETPQSAFHIGMND-HJQYOEGKSA-N 1 1 378.393 -2.042 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(-n4ccnc4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088022 1073963918 /nfs/dbraw/zinc/96/39/18/1073963918.db2.gz NDAAORJEQWTCMQ-SEWBAHNZSA-N 1 1 386.372 -1.625 20 0 GAADMO COc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1OC ZINC001160088033 1073963993 /nfs/dbraw/zinc/96/39/93/1073963993.db2.gz NTKFOIZLYSCFSC-UORFTKCHSA-N 1 1 380.361 -1.794 20 0 GAADMO CCOC(=O)c1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160088166 1073964073 /nfs/dbraw/zinc/96/40/73/1073964073.db2.gz PHFXXKQEPWSEQO-JUDXGUMMSA-N 1 1 391.384 -1.029 20 0 GAADMO CCOC(=O)c1nccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088199 1073964064 /nfs/dbraw/zinc/96/40/64/1073964064.db2.gz QXXNWPMETCTPSL-ZJIMWXPPSA-N 1 1 392.372 -1.634 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4ncsc4n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088200 1073963861 /nfs/dbraw/zinc/96/38/61/1073963861.db2.gz QYMYGZPGKNUADP-UGKPPGOTSA-N 1 1 377.386 -1.201 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(N4CCCC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088223 1073964005 /nfs/dbraw/zinc/96/40/05/1073964005.db2.gz SCNXMSXTOCKKEH-HMTTWLPMSA-N 1 1 389.416 -1.211 20 0 GAADMO COC(=O)c1cc(C)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160088235 1073963952 /nfs/dbraw/zinc/96/39/52/1073963952.db2.gz STDLGDTYGPFNMP-JUDXGUMMSA-N 1 1 391.384 -1.111 20 0 GAADMO Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1C(N)=O ZINC001160088287 1073963849 /nfs/dbraw/zinc/96/38/49/1073963849.db2.gz USNVUNZYSHQSRY-PMXXHBEXSA-N 1 1 376.373 -1.799 20 0 GAADMO COc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(SC)n1 ZINC001160088350 1073963933 /nfs/dbraw/zinc/96/39/33/1073963933.db2.gz UVPZONNYWUNVIL-PIZZUKIDSA-N 1 1 396.429 -1.081 20 0 GAADMO CNC(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088377 1073964417 /nfs/dbraw/zinc/96/44/17/1073964417.db2.gz VIPKWKQUEWSNLK-SDBHATRESA-N 1 1 376.373 -1.846 20 0 GAADMO NC(=O)c1cc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160088381 1073964594 /nfs/dbraw/zinc/96/45/94/1073964594.db2.gz VNHCYOYVHBVQPH-XYHAGOFUSA-N 1 1 397.779 -2.059 20 0 GAADMO CN(C)c1cc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160088424 1073964517 /nfs/dbraw/zinc/96/45/17/1073964517.db2.gz XMKUQYJTKKWCOY-PIZZUKIDSA-N 1 1 397.823 -1.092 20 0 GAADMO NC(=O)c1c(Cl)ncnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088428 1073964568 /nfs/dbraw/zinc/96/45/68/1073964568.db2.gz XXXAGGSNWNRULO-FITJORAGSA-N 1 1 397.779 -2.059 20 0 GAADMO COCOc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160088459 1073964535 /nfs/dbraw/zinc/96/45/35/1073964535.db2.gz ZOBWSGWRJXHNFJ-JUDXGUMMSA-N 1 1 379.373 -1.223 20 0 GAADMO CCNC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001160092290 1073964454 /nfs/dbraw/zinc/96/44/54/1073964454.db2.gz AMAXRGQCANEZQD-QGMIFYJMSA-N 1 1 391.388 -2.061 20 0 GAADMO COc1ncc(Cl)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160092300 1073964527 /nfs/dbraw/zinc/96/45/27/1073964527.db2.gz AYOJPILJGKHLJF-UGKPPGOTSA-N 1 1 384.780 -1.149 20 0 GAADMO NC(=O)c1cc(F)cnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160092344 1073964443 /nfs/dbraw/zinc/96/44/43/1073964443.db2.gz DCASJOUUKJPRRV-IDTAVKCVSA-N 1 1 380.336 -1.968 20 0 GAADMO Cc1noc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c12 ZINC001160092352 1073964560 /nfs/dbraw/zinc/96/45/60/1073964560.db2.gz DIULVPYOOJMMOI-FRJWGUMJSA-N 1 1 375.345 -1.361 20 0 GAADMO CNC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001160092380 1073964586 /nfs/dbraw/zinc/96/45/86/1073964586.db2.gz FXWNOIVOJZMECQ-LHNIVKCTSA-N 1 1 377.361 -2.451 20 0 GAADMO CS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160092488 1073964498 /nfs/dbraw/zinc/96/44/98/1073964498.db2.gz GIDXMQWJHLCOKL-ICGCDAGXSA-N 1 1 397.413 -1.803 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(-c4nnco4)ccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092516 1073964432 /nfs/dbraw/zinc/96/44/32/1073964432.db2.gz HNJCDOZYBVZHDB-QGMIFYJMSA-N 1 1 387.356 -1.156 20 0 GAADMO CN(C)C(=O)c1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160092536 1073964486 /nfs/dbraw/zinc/96/44/86/1073964486.db2.gz IGOQYDKOLAEBDB-QGMIFYJMSA-N 1 1 391.388 -2.109 20 0 GAADMO COCCOc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001160092561 1073964551 /nfs/dbraw/zinc/96/45/51/1073964551.db2.gz JPADDNJKYCEKNZ-SEWBAHNZSA-N 1 1 394.388 -1.786 20 0 GAADMO COc1nc(C)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1C ZINC001160092793 1073964544 /nfs/dbraw/zinc/96/45/44/1073964544.db2.gz LDDLQEILXGSVGA-SDBHATRESA-N 1 1 378.389 -1.186 20 0 GAADMO NS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001160092826 1073965215 /nfs/dbraw/zinc/96/52/15/1073965215.db2.gz MPESQZIAISVLPY-GUOLCYNNSA-N 1 1 399.389 -3.164 20 0 GAADMO NC(=O)c1ccnc(Cl)c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160092847 1073965189 /nfs/dbraw/zinc/96/51/89/1073965189.db2.gz NLHPICUNBSOKBY-NKNIEXMISA-N 1 1 396.791 -1.454 20 0 GAADMO CCNC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160092878 1073965250 /nfs/dbraw/zinc/96/52/50/1073965250.db2.gz OQPFXSOHMCCNAY-DSPGLSBSSA-N 1 1 390.400 -1.456 20 0 GAADMO CCOC(=O)c1nccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160093003 1073965154 /nfs/dbraw/zinc/96/51/54/1073965154.db2.gz PQRVIRSXUQUQPK-LHNIVKCTSA-N 1 1 392.372 -2.047 20 0 GAADMO Cc1cc(C(N)=O)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160093037 1073965107 /nfs/dbraw/zinc/96/51/07/1073965107.db2.gz RCLYOAXLHKGQSY-QGMIFYJMSA-N 1 1 376.373 -1.799 20 0 GAADMO CCn1cnc2c1ncnc2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160093058 1073965220 /nfs/dbraw/zinc/96/52/20/1073965220.db2.gz RYTGTEDFODAFLC-SJAJALHSSA-N 1 1 388.388 -1.441 20 0 GAADMO CC(C)Oc1nccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160093224 1073965261 /nfs/dbraw/zinc/96/52/61/1073965261.db2.gz VWWUBHBLODXCRJ-SDBHATRESA-N 1 1 378.389 -1.024 20 0 GAADMO Cc1ccc(C(N)=O)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160093239 1073965195 /nfs/dbraw/zinc/96/51/95/1073965195.db2.gz WDMWQJKTZKHPLD-SDBHATRESA-N 1 1 376.373 -1.799 20 0 GAADMO NS(=O)(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160093322 1073965201 /nfs/dbraw/zinc/96/52/01/1073965201.db2.gz YBCAVDISWHPKRD-HUXSOILUSA-N 1 1 398.401 -2.559 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc4c(nn3)CCOC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093339 1073965182 /nfs/dbraw/zinc/96/51/82/1073965182.db2.gz YOJRKXCQESLRJS-JUDXGUMMSA-N 1 1 376.373 -1.738 20 0 GAADMO COCc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc(OC)n1 ZINC001160094040 1073965174 /nfs/dbraw/zinc/96/51/74/1073965174.db2.gz HORLSMMJWWZLRM-VDKKZXSFSA-N 1 1 394.388 -1.656 20 0 GAADMO NS(=O)(=O)c1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160094714 1073965141 /nfs/dbraw/zinc/96/51/41/1073965141.db2.gz VMPNPUYEGKTYRF-PIZZUKIDSA-N 1 1 398.401 -2.393 20 0 GAADMO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H](N)CN4CCC([NH3+])CC4)C[C@@H]3C2=O)cn1 ZINC001160217707 1073966888 /nfs/dbraw/zinc/96/68/88/1073966888.db2.gz MPDUORBCKFHHIA-RCBQFDQVSA-N 1 1 375.477 -1.408 20 0 GAADMO Cn1cc(N2C[C@@H]3CN(C(=O)[C@H](N)CN4CCC([NH3+])CC4)C[C@@H]3C2=O)cn1 ZINC001160217711 1073966953 /nfs/dbraw/zinc/96/69/53/1073966953.db2.gz MPDUORBCKFHHIA-VBNZEHGJSA-N 1 1 375.477 -1.408 20 0 GAADMO N[C@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342471 1073968094 /nfs/dbraw/zinc/96/80/94/1073968094.db2.gz CFCCFXODZZWGHB-CFVMTHIKSA-N 1 1 384.444 -1.249 20 0 GAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342472 1073968203 /nfs/dbraw/zinc/96/82/03/1073968203.db2.gz CFCCFXODZZWGHB-QEJZJMRPSA-N 1 1 384.444 -1.249 20 0 GAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342473 1073968060 /nfs/dbraw/zinc/96/80/60/1073968060.db2.gz CFCCFXODZZWGHB-SNPRPXQTSA-N 1 1 384.444 -1.249 20 0 GAADMO N[C@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342474 1073968037 /nfs/dbraw/zinc/96/80/37/1073968037.db2.gz CFCCFXODZZWGHB-YUELXQCFSA-N 1 1 384.444 -1.249 20 0 GAADMO [NH3+]CCCNCC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343778 1073968622 /nfs/dbraw/zinc/96/86/22/1073968622.db2.gz MYKXBOHBYURJLO-AWEZNQCLSA-N 1 1 386.460 -1.000 20 0 GAADMO [NH3+]CCCNCC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343779 1073968711 /nfs/dbraw/zinc/96/87/11/1073968711.db2.gz MYKXBOHBYURJLO-CQSZACIVSA-N 1 1 386.460 -1.000 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001160371150 1073969380 /nfs/dbraw/zinc/96/93/80/1073969380.db2.gz GMLCLJFDXGZSOA-KBPBESRZSA-N 1 1 396.492 -1.482 20 0 GAADMO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)C2 ZINC001160381009 1073969691 /nfs/dbraw/zinc/96/96/91/1073969691.db2.gz NEDOFJHSBKEPLU-GFCCVEGCSA-N 1 1 376.421 -1.482 20 0 GAADMO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)C2 ZINC001160381013 1073970011 /nfs/dbraw/zinc/97/00/11/1073970011.db2.gz NEDOFJHSBKEPLU-LBPRGKRZSA-N 1 1 376.421 -1.482 20 0 GAADMO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)C2 ZINC001160381672 1073970465 /nfs/dbraw/zinc/97/04/65/1073970465.db2.gz XNUPTHDGFJZJHO-QFSBIZTOSA-N 1 1 377.449 -1.553 20 0 GAADMO CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160388579 1073970547 /nfs/dbraw/zinc/97/05/47/1073970547.db2.gz LHLPWNFXLAEQNF-HNNXBMFYSA-N 1 1 379.505 -1.138 20 0 GAADMO CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160388580 1073970498 /nfs/dbraw/zinc/97/04/98/1073970498.db2.gz LHLPWNFXLAEQNF-OAHLLOKOSA-N 1 1 379.505 -1.138 20 0 GAADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC001160406307 1073971182 /nfs/dbraw/zinc/97/11/82/1073971182.db2.gz QPFKLSWLKKVWER-AWEZNQCLSA-N 1 1 387.444 -1.080 20 0 GAADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC2 ZINC001160406800 1073971915 /nfs/dbraw/zinc/97/19/15/1073971915.db2.gz WYLBDGCIDMRMLB-OCCSQVGLSA-N 1 1 386.460 -1.380 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460954 1073973238 /nfs/dbraw/zinc/97/32/38/1073973238.db2.gz HSBTYGKGSPQQQX-AWEZNQCLSA-N 1 1 396.492 -2.229 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460956 1073973255 /nfs/dbraw/zinc/97/32/55/1073973255.db2.gz HSBTYGKGSPQQQX-CQSZACIVSA-N 1 1 396.492 -2.229 20 0 GAADMO CC[NH+](CC)C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001160483089 1073973150 /nfs/dbraw/zinc/97/31/50/1073973150.db2.gz NRSSLDDXWPAGKI-UHFFFAOYSA-N 1 1 384.481 -2.374 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(C2CCOCC2)CC1 ZINC001160491147 1073973840 /nfs/dbraw/zinc/97/38/40/1073973840.db2.gz UZZZYEJQDUNIQF-HOCLYGCPSA-N 1 1 395.504 -1.236 20 0 GAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(C2CCOCC2)CC1 ZINC001160491232 1073973782 /nfs/dbraw/zinc/97/37/82/1073973782.db2.gz YTJRXMICQFDPHE-UHFFFAOYSA-N 1 1 398.464 -3.383 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160541302 1073974262 /nfs/dbraw/zinc/97/42/62/1073974262.db2.gz AERVWBALVWNYEB-OBJOEFQTSA-N 1 1 389.460 -1.118 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160541304 1073974977 /nfs/dbraw/zinc/97/49/77/1073974977.db2.gz AERVWBALVWNYEB-SCRDCRAPSA-N 1 1 389.460 -1.118 20 0 GAADMO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160584298 1073974929 /nfs/dbraw/zinc/97/49/29/1073974929.db2.gz CASUTPGHAPLQAZ-HNNXBMFYSA-N 1 1 375.539 -1.684 20 0 GAADMO CS(=O)(=O)CCCN1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160584299 1073974999 /nfs/dbraw/zinc/97/49/99/1073974999.db2.gz CASUTPGHAPLQAZ-OAHLLOKOSA-N 1 1 375.539 -1.684 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589563 1073975489 /nfs/dbraw/zinc/97/54/89/1073975489.db2.gz YRUYETKGFXVJKS-AAEUAGOBSA-N 1 1 375.429 -1.333 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)CC1=O ZINC001160605853 1073975599 /nfs/dbraw/zinc/97/55/99/1073975599.db2.gz XDNVDCBKQJLEJQ-KBPBESRZSA-N 1 1 379.465 -1.079 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CC1=O ZINC001160605854 1073975538 /nfs/dbraw/zinc/97/55/38/1073975538.db2.gz XDNVDCBKQJLEJQ-KGLIPLIRSA-N 1 1 379.465 -1.079 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)CC1=O ZINC001160605855 1073975591 /nfs/dbraw/zinc/97/55/91/1073975591.db2.gz XDNVDCBKQJLEJQ-UONOGXRCSA-N 1 1 379.465 -1.079 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CC1=O ZINC001160605856 1073975577 /nfs/dbraw/zinc/97/55/77/1073975577.db2.gz XDNVDCBKQJLEJQ-ZIAGYGMSSA-N 1 1 379.465 -1.079 20 0 GAADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C(=O)NCC(N)=O ZINC001160630081 1073976120 /nfs/dbraw/zinc/97/61/20/1073976120.db2.gz VGMQWGIOPHFZGB-RFGFWPKPSA-N 1 1 396.492 -2.201 20 0 GAADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C(=O)NCC(N)=O ZINC001160630083 1073976224 /nfs/dbraw/zinc/97/62/24/1073976224.db2.gz VGMQWGIOPHFZGB-XUXIUFHCSA-N 1 1 396.492 -2.201 20 0 GAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2cccc3[nH]ncc32)CC1 ZINC001160668184 1073978136 /nfs/dbraw/zinc/97/81/36/1073978136.db2.gz PVOGTQJUBHOYCW-FZMZJTMJSA-N 1 1 387.444 -1.081 20 0 GAADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C[C@H]2C1 ZINC001160705672 1073978812 /nfs/dbraw/zinc/97/88/12/1073978812.db2.gz ZLOVJULICHJEPG-FSDCSDTHSA-N 1 1 376.457 -1.241 20 0 GAADMO C[N@H+]1C[C@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C[C@H]2C1 ZINC001160705672 1073978804 /nfs/dbraw/zinc/97/88/04/1073978804.db2.gz ZLOVJULICHJEPG-FSDCSDTHSA-N 1 1 376.457 -1.241 20 0 GAADMO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001160773477 1073980031 /nfs/dbraw/zinc/98/00/31/1073980031.db2.gz HMNJRPARMSRBCL-AEJSXWLSSA-N 1 1 377.419 -3.001 20 0 GAADMO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001160773478 1073980129 /nfs/dbraw/zinc/98/01/29/1073980129.db2.gz HMNJRPARMSRBCL-GUBZILKMSA-N 1 1 377.419 -3.001 20 0 GAADMO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160786717 1073980239 /nfs/dbraw/zinc/98/02/39/1073980239.db2.gz HHVGMJUVUQGRMX-FWDPORAESA-N 1 1 380.405 -1.894 20 0 GAADMO CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160786718 1073980168 /nfs/dbraw/zinc/98/01/68/1073980168.db2.gz HHVGMJUVUQGRMX-GMOODISLSA-N 1 1 380.405 -1.894 20 0 GAADMO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CSCNC(C)=O)C[C@H]1C2 ZINC001160795786 1073980667 /nfs/dbraw/zinc/98/06/67/1073980667.db2.gz ZHHWXRIPKVZCCQ-RBUCKAEESA-N 1 1 384.502 -1.002 20 0 GAADMO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160839142 1073981979 /nfs/dbraw/zinc/98/19/79/1073981979.db2.gz NJWZBBKHPVKMHN-PVAVHDDUSA-N 1 1 394.472 -1.472 20 0 GAADMO C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160839143 1073981953 /nfs/dbraw/zinc/98/19/53/1073981953.db2.gz NJWZBBKHPVKMHN-XIRDDKMYSA-N 1 1 394.472 -1.472 20 0 GAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001160850153 1073982001 /nfs/dbraw/zinc/98/20/01/1073982001.db2.gz XSGUJNQDRIAFIV-UHFFFAOYSA-N 1 1 379.421 -2.577 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915756 1073983303 /nfs/dbraw/zinc/98/33/03/1073983303.db2.gz LLTQSDMDHKVJNC-AAEUAGOBSA-N 1 1 375.433 -1.764 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916380 1073983050 /nfs/dbraw/zinc/98/30/50/1073983050.db2.gz YGRCDYYKEXKRFQ-UHFFFAOYSA-N 1 1 378.393 -3.911 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971394 1073983230 /nfs/dbraw/zinc/98/32/30/1073983230.db2.gz GRUSQKBDHVOUGN-UBHSHLNASA-N 1 1 386.399 -1.066 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971397 1073983196 /nfs/dbraw/zinc/98/31/96/1073983196.db2.gz GRUSQKBDHVOUGN-XBFCOCLRSA-N 1 1 386.399 -1.066 20 0 GAADMO C[NH+]1CCC2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)CC1 ZINC001160993238 1073983952 /nfs/dbraw/zinc/98/39/52/1073983952.db2.gz NBHGGWWWFVPPRI-UHFFFAOYSA-N 1 1 396.492 -2.372 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008801 1073983935 /nfs/dbraw/zinc/98/39/35/1073983935.db2.gz RNSLDDUFADFHIW-IHRRRGAJSA-N 1 1 381.477 -1.844 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008807 1073984098 /nfs/dbraw/zinc/98/40/98/1073984098.db2.gz RNSLDDUFADFHIW-MELADBBJSA-N 1 1 381.477 -1.844 20 0 GAADMO O=C1C[NH2+]CCN1CCNc1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001161019690 1073983916 /nfs/dbraw/zinc/98/39/16/1073983916.db2.gz QIUBCKULWAMCLA-UHFFFAOYSA-N 1 1 391.476 -1.007 20 0 GAADMO O=C(c1ccc(NCCN2CC[NH2+]CC2=O)nc1)N1CCS(=O)(=O)CC1 ZINC001161025154 1073984084 /nfs/dbraw/zinc/98/40/84/1073984084.db2.gz OTEXHURPNRJSFC-UHFFFAOYSA-N 1 1 381.458 -1.204 20 0 GAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068954 1073984725 /nfs/dbraw/zinc/98/47/25/1073984725.db2.gz YWFXUMMLVNNJMP-CABCVRRESA-N 1 1 396.517 -1.289 20 0 GAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068955 1073984797 /nfs/dbraw/zinc/98/47/97/1073984797.db2.gz YWFXUMMLVNNJMP-GJZGRUSLSA-N 1 1 396.517 -1.289 20 0 GAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068956 1073984583 /nfs/dbraw/zinc/98/45/83/1073984583.db2.gz YWFXUMMLVNNJMP-HUUCEWRRSA-N 1 1 396.517 -1.289 20 0 GAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068957 1073984511 /nfs/dbraw/zinc/98/45/11/1073984511.db2.gz YWFXUMMLVNNJMP-LSDHHAIUSA-N 1 1 396.517 -1.289 20 0 GAADMO CCOC(=O)CN(CCC[NH3+])C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001161158518 1073985765 /nfs/dbraw/zinc/98/57/65/1073985765.db2.gz WEMHQOLGLZCFON-UHFFFAOYSA-N 1 1 388.425 -3.966 20 0 GAADMO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001161159152 1073985716 /nfs/dbraw/zinc/98/57/16/1073985716.db2.gz WMZSLDNSGMUPKA-STQMWFEESA-N 1 1 385.465 -1.819 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001161175693 1073985953 /nfs/dbraw/zinc/98/59/53/1073985953.db2.gz NUKLECVZFJHBPM-GJZGRUSLSA-N 1 1 397.520 -1.254 20 0 GAADMO CCC[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]2C1 ZINC001161176268 1073985804 /nfs/dbraw/zinc/98/58/04/1073985804.db2.gz RQLCYHPZLINZHY-BETUJISGSA-N 1 1 382.465 -2.906 20 0 GAADMO CCC[N@H+]1C[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]2C1 ZINC001161176268 1073985797 /nfs/dbraw/zinc/98/57/97/1073985797.db2.gz RQLCYHPZLINZHY-BETUJISGSA-N 1 1 382.465 -2.906 20 0 GAADMO CCC[NH+]1C[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]2C1 ZINC001161176269 1073985989 /nfs/dbraw/zinc/98/59/89/1073985989.db2.gz RQLCYHPZLINZHY-CHWSQXEVSA-N 1 1 382.465 -2.906 20 0 GAADMO CCC[NH+]1C[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]2C1 ZINC001161176270 1073985933 /nfs/dbraw/zinc/98/59/33/1073985933.db2.gz RQLCYHPZLINZHY-STQMWFEESA-N 1 1 382.465 -2.906 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198800 1073986501 /nfs/dbraw/zinc/98/65/01/1073986501.db2.gz YQFCIGXUKBQAFB-RDJZCZTQSA-N 1 1 399.536 -1.639 20 0 GAADMO CC(C)(C)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1CC[NH2+]CC1 ZINC001161258289 1073987049 /nfs/dbraw/zinc/98/70/49/1073987049.db2.gz JPZCKPKGTSCEGC-UHFFFAOYSA-N 1 1 398.508 -2.080 20 0 GAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269479 1073987102 /nfs/dbraw/zinc/98/71/02/1073987102.db2.gz FJMJXIDUDFJOQS-INIZCTEOSA-N 1 1 382.509 -1.230 20 0 GAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269480 1073987061 /nfs/dbraw/zinc/98/70/61/1073987061.db2.gz FJMJXIDUDFJOQS-MRXNPFEDSA-N 1 1 382.509 -1.230 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387218 1073988768 /nfs/dbraw/zinc/98/87/68/1073988768.db2.gz BPDSDYHWUKPYGA-JYJNAYRXSA-N 1 1 395.504 -1.236 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387220 1073988709 /nfs/dbraw/zinc/98/87/09/1073988709.db2.gz BPDSDYHWUKPYGA-XHSDSOJGSA-N 1 1 395.504 -1.236 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161388676 1073988803 /nfs/dbraw/zinc/98/88/03/1073988803.db2.gz JURPCRSXFNRUTH-CYBMUJFWSA-N 1 1 398.464 -3.383 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161388677 1073988625 /nfs/dbraw/zinc/98/86/25/1073988625.db2.gz JURPCRSXFNRUTH-ZDUSSCGKSA-N 1 1 398.464 -3.383 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412500 1073988681 /nfs/dbraw/zinc/98/86/81/1073988681.db2.gz KUNJKBLVDQAADN-MNLARUNXSA-N 1 1 376.457 -1.065 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412503 1073988832 /nfs/dbraw/zinc/98/88/32/1073988832.db2.gz KUNJKBLVDQAADN-RKOFLFEYSA-N 1 1 376.457 -1.065 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412507 1073989486 /nfs/dbraw/zinc/98/94/86/1073989486.db2.gz KUNJKBLVDQAADN-SOKJMZBUSA-N 1 1 376.457 -1.065 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412510 1073989464 /nfs/dbraw/zinc/98/94/64/1073989464.db2.gz KUNJKBLVDQAADN-WFKFIOEPSA-N 1 1 376.457 -1.065 20 0 GAADMO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC2 ZINC001161480626 1073990131 /nfs/dbraw/zinc/99/01/31/1073990131.db2.gz PTMRGUJKJKHWKC-JCGVRSQUSA-N 1 1 384.477 -1.001 20 0 GAADMO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC2 ZINC001161480627 1073990139 /nfs/dbraw/zinc/99/01/39/1073990139.db2.gz PTMRGUJKJKHWKC-LXIYXOSZSA-N 1 1 384.477 -1.001 20 0 GAADMO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC2 ZINC001161480628 1073990165 /nfs/dbraw/zinc/99/01/65/1073990165.db2.gz PTMRGUJKJKHWKC-VEVIJQCQSA-N 1 1 384.477 -1.001 20 0 GAADMO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC2 ZINC001161480629 1073990042 /nfs/dbraw/zinc/99/00/42/1073990042.db2.gz PTMRGUJKJKHWKC-ZJNRKIDTSA-N 1 1 384.477 -1.001 20 0 GAADMO CN(C1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1)[C@H]1CCOC1 ZINC001161499514 1073990700 /nfs/dbraw/zinc/99/07/00/1073990700.db2.gz OSPBLQCDSNSTNR-NSHDSACASA-N 1 1 384.437 -3.775 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(N(C)[C@H]2CCOC2)C1 ZINC001161500997 1073990812 /nfs/dbraw/zinc/99/08/12/1073990812.db2.gz WMTKZCGLSGSMHF-YDHLFZDLSA-N 1 1 381.477 -1.628 20 0 GAADMO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)C[C@@H]2C(=O)N(C)C ZINC001161506427 1073991494 /nfs/dbraw/zinc/99/14/94/1073991494.db2.gz HXZMFAAKANKZDZ-CVEARBPZSA-N 1 1 394.520 -1.868 20 0 GAADMO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)C[C@H]2C(=O)N(C)C ZINC001161506428 1073991347 /nfs/dbraw/zinc/99/13/47/1073991347.db2.gz HXZMFAAKANKZDZ-HOTGVXAUSA-N 1 1 394.520 -1.868 20 0 GAADMO CC(=O)N1CC2(C1)CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)C[C@@H]2C(=O)N(C)C ZINC001161506429 1073991454 /nfs/dbraw/zinc/99/14/54/1073991454.db2.gz HXZMFAAKANKZDZ-HZPDHXFCSA-N 1 1 394.520 -1.868 20 0 GAADMO CC(=O)N1CC2(C1)CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)C[C@H]2C(=O)N(C)C ZINC001161506430 1073991434 /nfs/dbraw/zinc/99/14/34/1073991434.db2.gz HXZMFAAKANKZDZ-JKSUJKDBSA-N 1 1 394.520 -1.868 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511402 1073991960 /nfs/dbraw/zinc/99/19/60/1073991960.db2.gz ZCRZOJFKKONJHH-KKUMJFAQSA-N 1 1 378.429 -2.075 20 0 GAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511403 1073991889 /nfs/dbraw/zinc/99/18/89/1073991889.db2.gz ZCRZOJFKKONJHH-SOUVJXGZSA-N 1 1 378.429 -2.075 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001161634251 1073992533 /nfs/dbraw/zinc/99/25/33/1073992533.db2.gz FQLZIZKKTNEHCE-CYBMUJFWSA-N 1 1 378.495 -1.655 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001161634251 1073992530 /nfs/dbraw/zinc/99/25/30/1073992530.db2.gz FQLZIZKKTNEHCE-CYBMUJFWSA-N 1 1 378.495 -1.655 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001161634252 1073992576 /nfs/dbraw/zinc/99/25/76/1073992576.db2.gz FQLZIZKKTNEHCE-ZDUSSCGKSA-N 1 1 378.495 -1.655 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001161634252 1073992573 /nfs/dbraw/zinc/99/25/73/1073992573.db2.gz FQLZIZKKTNEHCE-ZDUSSCGKSA-N 1 1 378.495 -1.655 20 0 GAADMO COCC(COC)[NH+]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC001161733860 1073992546 /nfs/dbraw/zinc/99/25/46/1073992546.db2.gz OXTNBWYEJASWIO-UHFFFAOYSA-N 1 1 389.478 -1.274 20 0 GAADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162438545 1074002016 /nfs/dbraw/zinc/00/20/16/1074002016.db2.gz GKRXGIBUOBQDAK-DVVUODLYSA-N 1 1 381.828 -1.460 20 0 GAADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162438552 1074002104 /nfs/dbraw/zinc/00/21/04/1074002104.db2.gz GKRXGIBUOBQDAK-INTQDDNPSA-N 1 1 381.828 -1.460 20 0 GAADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162438554 1074002046 /nfs/dbraw/zinc/00/20/46/1074002046.db2.gz GKRXGIBUOBQDAK-LSJOCFKGSA-N 1 1 381.828 -1.460 20 0 GAADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162438555 1074002158 /nfs/dbraw/zinc/00/21/58/1074002158.db2.gz GKRXGIBUOBQDAK-MIMYLULJSA-N 1 1 381.828 -1.460 20 0 GAADMO CCOC(=O)C1CCN(c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nn2)CC1 ZINC001162444412 1074002142 /nfs/dbraw/zinc/00/21/42/1074002142.db2.gz BPSCGNXYJYXAQF-HRCADAONSA-N 1 1 376.465 -1.247 20 0 GAADMO CCOC(=O)C1CCN(c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nn2)CC1 ZINC001162444413 1074002525 /nfs/dbraw/zinc/00/25/25/1074002525.db2.gz BPSCGNXYJYXAQF-JYJNAYRXSA-N 1 1 376.465 -1.247 20 0 GAADMO CCOC(=O)C1CCN(c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nn2)CC1 ZINC001162444414 1074002632 /nfs/dbraw/zinc/00/26/32/1074002632.db2.gz BPSCGNXYJYXAQF-OWCLPIDISA-N 1 1 376.465 -1.247 20 0 GAADMO CCOC(=O)C1CCN(c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nn2)CC1 ZINC001162444415 1074002392 /nfs/dbraw/zinc/00/23/92/1074002392.db2.gz BPSCGNXYJYXAQF-PMPSAXMXSA-N 1 1 376.465 -1.247 20 0 GAADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CN[C@@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001162446124 1074002702 /nfs/dbraw/zinc/00/27/02/1074002702.db2.gz GSMABAFVPZKOJY-FXBDTBDDSA-N 1 1 383.812 -1.576 20 0 GAADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CN[C@@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001162446125 1074002559 /nfs/dbraw/zinc/00/25/59/1074002559.db2.gz GSMABAFVPZKOJY-QNSHHTMESA-N 1 1 383.812 -1.576 20 0 GAADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CN[C@@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001162446126 1074002646 /nfs/dbraw/zinc/00/26/46/1074002646.db2.gz GSMABAFVPZKOJY-SFGNSQDASA-N 1 1 383.812 -1.576 20 0 GAADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CN[C@@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001162446127 1074002501 /nfs/dbraw/zinc/00/25/01/1074002501.db2.gz GSMABAFVPZKOJY-SZEHBUNVSA-N 1 1 383.812 -1.576 20 0 GAADMO CC(=O)Oc1cc2ncnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2cc1OC(C)=O ZINC001162447123 1074002459 /nfs/dbraw/zinc/00/24/59/1074002459.db2.gz LLPLMTFWXKKNIO-HLLBOEOZSA-N 1 1 387.400 -1.023 20 0 GAADMO CC(=O)Oc1cc2ncnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2cc1OC(C)=O ZINC001162447124 1074002480 /nfs/dbraw/zinc/00/24/80/1074002480.db2.gz LLPLMTFWXKKNIO-VYDXJSESSA-N 1 1 387.400 -1.023 20 0 GAADMO CC(=O)Oc1cc2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2cc1OC(C)=O ZINC001162447125 1074002689 /nfs/dbraw/zinc/00/26/89/1074002689.db2.gz LLPLMTFWXKKNIO-YQQAZPJKSA-N 1 1 387.400 -1.023 20 0 GAADMO CC(=O)Oc1cc2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2cc1OC(C)=O ZINC001162447126 1074002412 /nfs/dbraw/zinc/00/24/12/1074002412.db2.gz LLPLMTFWXKKNIO-ZOBUZTSGSA-N 1 1 387.400 -1.023 20 0 GAADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nn2)C1 ZINC001162447547 1074002615 /nfs/dbraw/zinc/00/26/15/1074002615.db2.gz NDGGKJUUUYXFTC-BQDHKBFISA-N 1 1 376.465 -1.247 20 0 GAADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nn2)C1 ZINC001162447548 1074002589 /nfs/dbraw/zinc/00/25/89/1074002589.db2.gz NDGGKJUUUYXFTC-FWYOQMDTSA-N 1 1 376.465 -1.247 20 0 GAADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nn2)C1 ZINC001162447549 1074002546 /nfs/dbraw/zinc/00/25/46/1074002546.db2.gz NDGGKJUUUYXFTC-IPOQPSJVSA-N 1 1 376.465 -1.247 20 0 GAADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nn2)C1 ZINC001162447550 1074002677 /nfs/dbraw/zinc/00/26/77/1074002677.db2.gz NDGGKJUUUYXFTC-MEYUZBJRSA-N 1 1 376.465 -1.247 20 0 GAADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162448615 1074002575 /nfs/dbraw/zinc/00/25/75/1074002575.db2.gz RLQAXSYVQMSJLW-DYEKYZERSA-N 1 1 378.437 -2.013 20 0 GAADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162448616 1074002602 /nfs/dbraw/zinc/00/26/02/1074002602.db2.gz RLQAXSYVQMSJLW-MBNYWOFBSA-N 1 1 378.437 -2.013 20 0 GAADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162448617 1074002436 /nfs/dbraw/zinc/00/24/36/1074002436.db2.gz RLQAXSYVQMSJLW-OBJOEFQTSA-N 1 1 378.437 -2.013 20 0 GAADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162448618 1074002717 /nfs/dbraw/zinc/00/27/17/1074002717.db2.gz RLQAXSYVQMSJLW-SGMGOOAPSA-N 1 1 378.437 -2.013 20 0 GAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)[C@H]2NCN[C@H]21 ZINC001162449963 1074002661 /nfs/dbraw/zinc/00/26/61/1074002661.db2.gz YMXZKXGUHHIOES-BFHYXJOUSA-N 1 1 381.462 -2.551 20 0 GAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)[C@@H]2NCN[C@@H]21 ZINC001162449966 1074003070 /nfs/dbraw/zinc/00/30/70/1074003070.db2.gz YMXZKXGUHHIOES-MCIONIFRSA-N 1 1 381.462 -2.551 20 0 GAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)[C@H]2NCN[C@@H]21 ZINC001162449968 1074002977 /nfs/dbraw/zinc/00/29/77/1074002977.db2.gz YMXZKXGUHHIOES-MGPQQGTHSA-N 1 1 381.462 -2.551 20 0 GAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)[C@@H]2NCN[C@H]21 ZINC001162449970 1074003176 /nfs/dbraw/zinc/00/31/76/1074003176.db2.gz YMXZKXGUHHIOES-MJBXVCDLSA-N 1 1 381.462 -2.551 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1ncnc2c1CC[NH2+]C2 ZINC001162842199 1074002954 /nfs/dbraw/zinc/00/29/54/1074002954.db2.gz DLTNVTQSKLLILE-ZFWWWQNUSA-N 1 1 384.444 -1.346 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1ncnc2c1CC[NH2+]CC2 ZINC001162842428 1074003128 /nfs/dbraw/zinc/00/31/28/1074003128.db2.gz KITGMFGCERHSGP-HOCLYGCPSA-N 1 1 398.471 -1.303 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001162842864 1074003035 /nfs/dbraw/zinc/00/30/35/1074003035.db2.gz WUCAIHSCWUNOAK-ZFWWWQNUSA-N 1 1 384.444 -1.346 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1cc2c(nn1)CC[NH2+]C2 ZINC001162844648 1074003658 /nfs/dbraw/zinc/00/36/58/1074003658.db2.gz GGIVWMZPZAJYLO-ZFWWWQNUSA-N 1 1 384.444 -1.346 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001162857407 1074003589 /nfs/dbraw/zinc/00/35/89/1074003589.db2.gz QOHOJLZGWKRXCE-ZFWWWQNUSA-N 1 1 384.444 -1.305 20 0 GAADMO COc1nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)nc(N2CCOCC2)n1 ZINC001163112005 1074003970 /nfs/dbraw/zinc/00/39/70/1074003970.db2.gz NAZRPYYPAVSKGJ-UHFFFAOYSA-N 1 1 388.432 -1.199 20 0 GAADMO 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C[C@H]1C[N@H+](CCN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CCO1 ZINC001167772272 1073895144 /nfs/dbraw/zinc/89/51/44/1073895144.db2.gz LWYJLSVRYVNTJJ-JKSUJKDBSA-N 1 1 388.534 -1.372 20 0 GAADMO CN(CC[N@@H+](C)CCO)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001168339508 1074341601 /nfs/dbraw/zinc/34/16/01/1074341601.db2.gz NEXFQDGFHCBFQM-UHFFFAOYSA-N 1 1 386.430 -1.376 20 0 GAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001169040537 1074924334 /nfs/dbraw/zinc/92/43/34/1074924334.db2.gz DTKSZESEAYZECJ-UHFFFAOYSA-N 1 1 384.458 -1.055 20 0 GAADMO CC[NH+]1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1 ZINC001169224693 1074924587 /nfs/dbraw/zinc/92/45/87/1074924587.db2.gz KXYBIVNOYJTVPE-QQHRNGFRSA-N 1 1 393.448 -1.590 20 0 GAADMO CCOC(=O)[C@H]1CC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CO1 ZINC001169351506 1074924597 /nfs/dbraw/zinc/92/45/97/1074924597.db2.gz ZSHYOFQRVPROSD-MRIXOBAXSA-N 1 1 398.416 -1.822 20 0 GAADMO 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C[N@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@@H]1CO ZINC001171140082 1075054902 /nfs/dbraw/zinc/05/49/02/1075054902.db2.gz RBECCSQXSPNLRY-SNVBAGLBSA-N 1 1 384.414 -1.623 20 0 GAADMO C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@@H]1CO ZINC001171140082 1075054900 /nfs/dbraw/zinc/05/49/00/1075054900.db2.gz RBECCSQXSPNLRY-SNVBAGLBSA-N 1 1 384.414 -1.623 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc4c(cn3)OCC(=O)N4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260349 1075077213 /nfs/dbraw/zinc/07/72/13/1075077213.db2.gz AVQUUKBBDNRNBD-SEWBAHNZSA-N 1 1 390.356 -1.875 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(N4CCCC4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260394 1075077531 /nfs/dbraw/zinc/07/75/31/1075077531.db2.gz BHOONQQZDSPGSA-HMTTWLPMSA-N 1 1 389.416 -1.211 20 0 GAADMO CN(C)C(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171260508 1075077543 /nfs/dbraw/zinc/07/75/43/1075077543.db2.gz BZRIBYIUWLJEQZ-XNIJJKJLSA-N 1 1 390.400 -1.504 20 0 GAADMO 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[NH3+][C@H]1[C@H](n2ccc(Nc3cc(-n4ccnc4)ncn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260919 1075077575 /nfs/dbraw/zinc/07/75/75/1075077575.db2.gz GVVXRVUVULABDW-SEWBAHNZSA-N 1 1 386.372 -1.625 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(-n4cccc4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260959 1075077620 /nfs/dbraw/zinc/07/76/20/1075077620.db2.gz HRGJFLKSBOBQGA-HMTTWLPMSA-N 1 1 385.384 -1.020 20 0 GAADMO COC(=O)Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171260966 1075077612 /nfs/dbraw/zinc/07/76/12/1075077612.db2.gz HZYFIHOLOMIVFL-HMTTWLPMSA-N 1 1 391.384 -1.491 20 0 GAADMO CNC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171260989 1075077490 /nfs/dbraw/zinc/07/74/90/1075077490.db2.gz JFDCWZOXHWSEKA-UORFTKCHSA-N 1 1 377.361 -2.451 20 0 GAADMO CS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001171261423 1075078425 /nfs/dbraw/zinc/07/84/25/1075078425.db2.gz LRESPOLGJOJMGX-PIZZUKIDSA-N 1 1 398.401 -2.408 20 0 GAADMO COc1cc(Cl)nnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261501 1075078454 /nfs/dbraw/zinc/07/84/54/1075078454.db2.gz NETAIXZGHWXSIB-GDECHXLSSA-N 1 1 384.780 -1.149 20 0 GAADMO COC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171261506 1075078437 /nfs/dbraw/zinc/07/84/37/1075078437.db2.gz NIXDEKQSQMFDBP-ICGCDAGXSA-N 1 1 377.357 -1.419 20 0 GAADMO COc1cc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261686 1075077632 /nfs/dbraw/zinc/07/76/32/1075077632.db2.gz POBUNESNAVRVBX-GUOLCYNNSA-N 1 1 384.780 -1.149 20 0 GAADMO CCOC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171261702 1075077772 /nfs/dbraw/zinc/07/77/72/1075077772.db2.gz PVPMHRKJKMUJHL-OJAKKHQRSA-N 1 1 392.372 -1.634 20 0 GAADMO CCN(C)c1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1C ZINC001171261722 1075077970 /nfs/dbraw/zinc/07/79/70/1075077970.db2.gz QAMAFAMNKLQCDE-BPGGGUHBSA-N 1 1 391.432 -1.046 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3CC(=O)N4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261753 1075077977 /nfs/dbraw/zinc/07/79/77/1075077977.db2.gz QRJPMJUKQJJCIB-FRJWGUMJSA-N 1 1 375.345 -2.316 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4scnc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261791 1075077864 /nfs/dbraw/zinc/07/78/64/1075077864.db2.gz STCHDYAYTUZZTL-CLOKMRPHSA-N 1 1 377.386 -1.201 20 0 GAADMO Cc1cc(C)c(C(N)=O)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261792 1075077826 /nfs/dbraw/zinc/07/78/26/1075077826.db2.gz STJMPWAGZOWQMB-RVXWVPLUSA-N 1 1 390.400 -1.490 20 0 GAADMO CS(=O)(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncn1 ZINC001171261794 1075077932 /nfs/dbraw/zinc/07/79/32/1075077932.db2.gz SVBFGDVYJJMLSM-PIZZUKIDSA-N 1 1 398.401 -2.408 20 0 GAADMO CC(=O)Nc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171261799 1075077898 /nfs/dbraw/zinc/07/78/98/1075077898.db2.gz TUWJVKFOYHOYGZ-JUDXGUMMSA-N 1 1 376.373 -1.248 20 0 GAADMO CN1CCOc2c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nncc21 ZINC001171261818 1075077807 /nfs/dbraw/zinc/07/78/07/1075077807.db2.gz ADJDLFZGDDCQTF-SDBHATRESA-N 1 1 391.388 -1.982 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc(F)c4nccnc34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261824 1075077910 /nfs/dbraw/zinc/07/79/10/1075077910.db2.gz AMSAYCRQTYYTJA-YWGZHDIYSA-N 1 1 389.347 -1.124 20 0 GAADMO COC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(C)n1 ZINC001171261839 1075077852 /nfs/dbraw/zinc/07/78/52/1075077852.db2.gz BGEJMYGGLHXQAI-XIDUGBJDSA-N 1 1 392.372 -1.716 20 0 GAADMO NC(=S)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261854 1075077942 /nfs/dbraw/zinc/07/79/42/1075077942.db2.gz BSNPFHXWAUIKEJ-IDTAVKCVSA-N 1 1 378.414 -1.572 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccnc(N4CCCC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261859 1075077960 /nfs/dbraw/zinc/07/79/60/1075077960.db2.gz BXYPPPNOLFRFPE-JUDXGUMMSA-N 1 1 389.416 -1.045 20 0 GAADMO CN1C(=O)Cc2c1ncnc2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261878 1075078259 /nfs/dbraw/zinc/07/82/59/1075078259.db2.gz CXUBOLWFDBVFDN-PMXXHBEXSA-N 1 1 389.372 -2.292 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nccc4c3OCC(=O)N4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261891 1075078190 /nfs/dbraw/zinc/07/81/90/1075078190.db2.gz DOZDNLSRMGRIGZ-PMXXHBEXSA-N 1 1 390.356 -1.875 20 0 GAADMO COc1ncc(OC)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261908 1075078215 /nfs/dbraw/zinc/07/82/15/1075078215.db2.gz FEBRVYLTCWBNFW-UORFTKCHSA-N 1 1 380.361 -1.794 20 0 GAADMO CC(C)Oc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncn1 ZINC001171261913 1075077886 /nfs/dbraw/zinc/07/78/86/1075077886.db2.gz UOMNVRPPXFLNKJ-SEWBAHNZSA-N 1 1 378.389 -1.024 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4c(n3)NC(=O)C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261916 1075078144 /nfs/dbraw/zinc/07/81/44/1075078144.db2.gz UTIDAHBODUYUNQ-GDECHXLSSA-N 1 1 375.345 -2.316 20 0 GAADMO COC(=O)c1cnnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171261918 1075078208 /nfs/dbraw/zinc/07/82/08/1075078208.db2.gz UTZZVNMBVJLXLW-HUXSOILUSA-N 1 1 378.345 -2.024 20 0 GAADMO CS(=O)(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261940 1075078236 /nfs/dbraw/zinc/07/82/36/1075078236.db2.gz VXCNXEWZMMDILE-FAQVLOEFSA-N 1 1 398.401 -2.408 20 0 GAADMO COC(=O)c1ccc(C)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261963 1075078184 /nfs/dbraw/zinc/07/81/84/1075078184.db2.gz XHPBTAVUFLCQKN-BPGGGUHBSA-N 1 1 391.384 -1.111 20 0 GAADMO CC(C)Oc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261964 1075078171 /nfs/dbraw/zinc/07/81/71/1075078171.db2.gz XIOQJEGGVQWXQJ-ICGCDAGXSA-N 1 1 378.389 -1.024 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4[nH]cc(F)c43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261971 1075078220 /nfs/dbraw/zinc/07/82/20/1075078220.db2.gz XSUUCPPUFIFPMB-FRJWGUMJSA-N 1 1 377.336 -1.191 20 0 GAADMO CS(=O)(=O)c1nccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261981 1075078197 /nfs/dbraw/zinc/07/81/97/1075078197.db2.gz YEWGXMZRNAGBFM-FAQVLOEFSA-N 1 1 398.401 -2.242 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc(OCC4CC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261997 1075078203 /nfs/dbraw/zinc/07/82/03/1075078203.db2.gz YVUVABNERPNZBO-NMFUWQPSSA-N 1 1 390.400 -1.022 20 0 GAADMO COCc1nc(Cl)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262000 1075078177 /nfs/dbraw/zinc/07/81/77/1075078177.db2.gz ZAEAWLOOZYFTMG-HTXXDJJVSA-N 1 1 398.807 -1.011 20 0 GAADMO COC(=O)c1c(C)ccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262004 1075078248 /nfs/dbraw/zinc/07/82/48/1075078248.db2.gz ZEUMMALUPKHWPY-QGMIFYJMSA-N 1 1 391.384 -1.111 20 0 GAADMO CCOc1cc(C)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262007 1075078241 /nfs/dbraw/zinc/07/82/41/1075078241.db2.gz ZHZZQGNIDNZXHZ-ICGCDAGXSA-N 1 1 378.389 -1.104 20 0 GAADMO CC(C)Oc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001171262057 1075078530 /nfs/dbraw/zinc/07/85/30/1075078530.db2.gz GXNCUJRDLZGCFR-SEWBAHNZSA-N 1 1 378.389 -1.024 20 0 GAADMO NC(=S)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171262073 1075078470 /nfs/dbraw/zinc/07/84/70/1075078470.db2.gz HMYOKCXYCOEWNZ-LHNIVKCTSA-N 1 1 378.414 -1.572 20 0 GAADMO COc1c(Cl)cnnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262084 1075078554 /nfs/dbraw/zinc/07/85/54/1075078554.db2.gz HQCQIRWAKMMHSH-QYVSTXNMSA-N 1 1 384.780 -1.149 20 0 GAADMO Cc1cc(N(C)C)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262121 1075078477 /nfs/dbraw/zinc/07/84/77/1075078477.db2.gz IPZZKNOXNAXOJQ-ICGCDAGXSA-N 1 1 377.405 -1.437 20 0 GAADMO CNC(=O)c1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262159 1075078562 /nfs/dbraw/zinc/07/85/62/1075078562.db2.gz JSWFIAKKIBHWHZ-QGMIFYJMSA-N 1 1 376.373 -1.846 20 0 GAADMO CC(=O)Nc1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262162 1075078538 /nfs/dbraw/zinc/07/85/38/1075078538.db2.gz JXPXVDNAJZSUPR-HKSFMPNISA-N 1 1 377.361 -1.853 20 0 GAADMO CS(=O)(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262252 1075078461 /nfs/dbraw/zinc/07/84/61/1075078461.db2.gz BRWVMZWUOQPUHT-HJQYOEGKSA-N 1 1 398.401 -2.408 20 0 GAADMO COc1nc(Cl)nnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262253 1075078515 /nfs/dbraw/zinc/07/85/15/1075078515.db2.gz BUELIALYFSDVHZ-IOSLPCCCSA-N 1 1 385.768 -1.754 20 0 GAADMO COCc1nc(C)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262255 1075078446 /nfs/dbraw/zinc/07/84/46/1075078446.db2.gz KAMKMQCMWTYJEO-SEWBAHNZSA-N 1 1 378.389 -1.356 20 0 GAADMO CC(=O)Nc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262263 1075078544 /nfs/dbraw/zinc/07/85/44/1075078544.db2.gz KLLDJOMCSJYOPS-JUDXGUMMSA-N 1 1 376.373 -1.248 20 0 GAADMO COc1ncc(Cl)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262271 1075078825 /nfs/dbraw/zinc/07/88/25/1075078825.db2.gz KNKYUMILWBRBBT-ZRFIDHNTSA-N 1 1 384.780 -1.149 20 0 GAADMO COC(OC)c1nccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262279 1075078748 /nfs/dbraw/zinc/07/87/48/1075078748.db2.gz KPGXOIGLTBCDOO-ZJIMWXPPSA-N 1 1 394.388 -1.520 20 0 GAADMO C[N@H+]1CCc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c2C1 ZINC001171262334 1075078811 /nfs/dbraw/zinc/07/88/11/1075078811.db2.gz CWENNPJINQGVPY-XKVFNRALSA-N 1 1 389.416 -1.823 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nccc(-c4cnccn4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262420 1075078735 /nfs/dbraw/zinc/07/87/35/1075078735.db2.gz DVVMTPNBSUXKTG-NMFUWQPSSA-N 1 1 398.383 -1.354 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc4c(c3)OCC(=O)N4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262441 1075078767 /nfs/dbraw/zinc/07/87/67/1075078767.db2.gz FCXDQYBTQHZCRO-QGMIFYJMSA-N 1 1 390.356 -1.875 20 0 GAADMO COC(=O)Cc1ncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171262443 1075078771 /nfs/dbraw/zinc/07/87/71/1075078771.db2.gz FGAULSOTJVBAPB-SEWBAHNZSA-N 1 1 392.372 -2.096 20 0 GAADMO Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2c1nnn2C ZINC001171262446 1075078797 /nfs/dbraw/zinc/07/87/97/1075078797.db2.gz MKYZTCCNXDOOLE-MQMRNCCQSA-N 1 1 388.388 -1.616 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nnc(Cl)nc3Cl)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262454 1075078761 /nfs/dbraw/zinc/07/87/61/1075078761.db2.gz MMNIPUYVAYPXDJ-KQYNXXCUSA-N 1 1 390.187 -1.109 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc4c(nn3)OCCO4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262470 1075078830 /nfs/dbraw/zinc/07/88/30/1075078830.db2.gz MPPSUPUIFRLPLJ-LHNIVKCTSA-N 1 1 378.345 -2.040 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3COCC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262500 1075078821 /nfs/dbraw/zinc/07/88/21/1075078821.db2.gz MYAWIAUCJSNULI-BPGGGUHBSA-N 1 1 376.373 -1.738 20 0 GAADMO CN(C)C(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171262501 1075078782 /nfs/dbraw/zinc/07/87/82/1075078782.db2.gz MYISHGKSEILECR-DSPGLSBSSA-N 1 1 390.400 -1.504 20 0 GAADMO NC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(Cl)c1 ZINC001171262527 1075078802 /nfs/dbraw/zinc/07/88/02/1075078802.db2.gz NHNYFIGPBAJLKT-IDTAVKCVSA-N 1 1 396.791 -1.454 20 0 GAADMO Cc1nc2c(ccn2C)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262554 1075078777 /nfs/dbraw/zinc/07/87/77/1075078777.db2.gz NWSXCYBNSUWQFT-XNIJJKJLSA-N 1 1 387.400 -1.011 20 0 GAADMO CN(C)C(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001171262650 1075078793 /nfs/dbraw/zinc/07/87/93/1075078793.db2.gz GSHJJDWEAGYIMI-QGMIFYJMSA-N 1 1 391.388 -2.109 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(c3)C(=O)NCC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262667 1075078757 /nfs/dbraw/zinc/07/87/57/1075078757.db2.gz HJMYRIRVNSCKFK-DNNBLBMLSA-N 1 1 387.396 -1.315 20 0 GAADMO COc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(C)c1F ZINC001171262770 1075079095 /nfs/dbraw/zinc/07/90/95/1075079095.db2.gz QEOGHMMWVWSDEJ-GDECHXLSSA-N 1 1 382.352 -1.355 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(N4CCCC4)ncn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262789 1075079084 /nfs/dbraw/zinc/07/90/84/1075079084.db2.gz QPCWTXHXYIHMMG-HMTTWLPMSA-N 1 1 389.416 -1.211 20 0 GAADMO CC(=O)Nc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1C ZINC001171262826 1075079170 /nfs/dbraw/zinc/07/91/70/1075079170.db2.gz RTLNVFCSURVPGS-FMKGYKFTSA-N 1 1 391.388 -1.544 20 0 GAADMO NC(=O)c1cc(Cl)nnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262928 1075079047 /nfs/dbraw/zinc/07/90/47/1075079047.db2.gz UJBHEKGJMIEGOO-ZRFIDHNTSA-N 1 1 397.779 -2.059 20 0 GAADMO CS(=O)(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171262958 1075079075 /nfs/dbraw/zinc/07/90/75/1075079075.db2.gz UWNOVXVWKFCGJF-ICGCDAGXSA-N 1 1 397.413 -1.803 20 0 GAADMO CS(=O)(=O)c1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171263038 1075079141 /nfs/dbraw/zinc/07/91/41/1075079141.db2.gz KUVCLDWVCSUECM-FMKGYKFTSA-N 1 1 397.413 -1.803 20 0 GAADMO COC(=O)c1ccc(F)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171263115 1075079121 /nfs/dbraw/zinc/07/91/21/1075079121.db2.gz VJOMQLFSDBTNGL-XIDUGBJDSA-N 1 1 395.347 -1.280 20 0 GAADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccn1 ZINC001171263238 1075079038 /nfs/dbraw/zinc/07/90/38/1075079038.db2.gz ONDUFPTWUKSVKE-FMKGYKFTSA-N 1 1 377.357 -1.419 20 0 GAADMO COC(=O)Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171263245 1075079162 /nfs/dbraw/zinc/07/91/62/1075079162.db2.gz ONODTJWJRIEFMG-ICGCDAGXSA-N 1 1 392.372 -2.096 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(n3)CCOC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263249 1075079020 /nfs/dbraw/zinc/07/90/20/1075079020.db2.gz XARNCKYPVYDPII-RAEVTNRLSA-N 1 1 375.385 -1.133 20 0 GAADMO CCOc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(C)n1 ZINC001171263250 1075079063 /nfs/dbraw/zinc/07/90/63/1075079063.db2.gz OONPCHLCLLFZCU-SEWBAHNZSA-N 1 1 378.389 -1.104 20 0 GAADMO CC(=O)Nc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncn1 ZINC001171263307 1075079392 /nfs/dbraw/zinc/07/93/92/1075079392.db2.gz YDHFZJZXUWZBPQ-HKSFMPNISA-N 1 1 377.361 -1.853 20 0 GAADMO COc1ncnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1OC ZINC001171263308 1075079358 /nfs/dbraw/zinc/07/93/58/1075079358.db2.gz YDUADHIMCJUCHS-AKAIJSEGSA-N 1 1 380.361 -1.794 20 0 GAADMO CCOc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1OC ZINC001171263315 1075079370 /nfs/dbraw/zinc/07/93/70/1075079370.db2.gz YNUFHENGQOTJMD-XIDUGBJDSA-N 1 1 394.388 -1.404 20 0 GAADMO CCOC(=O)c1ccnnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263334 1075079345 /nfs/dbraw/zinc/07/93/45/1075079345.db2.gz YXNRROWDXLIQPD-XIDUGBJDSA-N 1 1 392.372 -1.634 20 0 GAADMO COc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1OC ZINC001171263338 1075079386 /nfs/dbraw/zinc/07/93/86/1075079386.db2.gz ZASQBAFWJDLVHS-QGMIFYJMSA-N 1 1 379.373 -1.023 20 0 GAADMO CCN(C)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncn1 ZINC001171263368 1075079328 /nfs/dbraw/zinc/07/93/28/1075079328.db2.gz ZNMOJWVYCUWIPI-SEWBAHNZSA-N 1 1 377.405 -1.355 20 0 GAADMO COC(=O)c1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cnc1C ZINC001171263374 1075079366 /nfs/dbraw/zinc/07/93/66/1075079366.db2.gz ZNVDOBLSXXNLHR-KLPZLMTLSA-N 1 1 392.372 -1.716 20 0 GAADMO CN1Cc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cnc2C1=O ZINC001171263433 1075079030 /nfs/dbraw/zinc/07/90/30/1075079030.db2.gz ORGISGFDGCCLAN-MWKWWEEBSA-N 1 1 388.384 -1.620 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc4c(c3)OCCO4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263517 1075079377 /nfs/dbraw/zinc/07/93/77/1075079377.db2.gz QHXMLVLTUNDRLO-BPGGGUHBSA-N 1 1 377.357 -1.435 20 0 GAADMO CCCOc1nccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263542 1075079348 /nfs/dbraw/zinc/07/93/48/1075079348.db2.gz QLYHBEXQARYORD-SDBHATRESA-N 1 1 378.389 -1.022 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4c(n3)OCC(=O)N4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263597 1075079180 /nfs/dbraw/zinc/07/91/80/1075079180.db2.gz RXDDASYUUWYCRB-GDECHXLSSA-N 1 1 391.344 -2.480 20 0 GAADMO CCc1nnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1CC ZINC001171263600 1075079000 /nfs/dbraw/zinc/07/90/00/1075079000.db2.gz RXZSBLKOIDRWAD-FMKGYKFTSA-N 1 1 377.405 -1.291 20 0 GAADMO COC(=O)c1ccc(N)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171263614 1075079056 /nfs/dbraw/zinc/07/90/56/1075079056.db2.gz SVZGPQXSTVGVLF-NMFUWQPSSA-N 1 1 391.384 -1.232 20 0 GAADMO CN1Cc2c(cccc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1=O ZINC001171263615 1075079130 /nfs/dbraw/zinc/07/91/30/1075079130.db2.gz SWCOULQBYAHHSX-DNNBLBMLSA-N 1 1 387.396 -1.015 20 0 GAADMO Cn1c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2oc1=O ZINC001171263833 1075079362 /nfs/dbraw/zinc/07/93/62/1075079362.db2.gz VCZHXPMOOBMSNO-NMFUWQPSSA-N 1 1 389.368 -1.156 20 0 GAADMO CCCOc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171264009 1075079397 /nfs/dbraw/zinc/07/93/97/1075079397.db2.gz YTQFVJQFYVFVFZ-ICGCDAGXSA-N 1 1 378.389 -1.022 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cccn4c(=O)ccnc34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264346 1075079604 /nfs/dbraw/zinc/07/96/04/1075079604.db2.gz AWBPPRLEUTVMAF-DSPGLSBSSA-N 1 1 386.368 -1.593 20 0 GAADMO COc1nc(Cl)ncc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264347 1075079591 /nfs/dbraw/zinc/07/95/91/1075079591.db2.gz AXDQDCQGCVTKMV-UGKPPGOTSA-N 1 1 384.780 -1.149 20 0 GAADMO CNC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1F ZINC001171264359 1075079668 /nfs/dbraw/zinc/07/96/68/1075079668.db2.gz BJBKZQNRBLHBFZ-XKVFNRALSA-N 1 1 393.375 -1.102 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4ncoc(=O)c4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264405 1075079355 /nfs/dbraw/zinc/07/93/55/1075079355.db2.gz DTJZJTPWWCJLNK-NMFUWQPSSA-N 1 1 387.352 -1.100 20 0 GAADMO CCOC(=O)c1ccncc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264447 1075079331 /nfs/dbraw/zinc/07/93/31/1075079331.db2.gz GVFMNAMMCPSXFJ-NMFUWQPSSA-N 1 1 391.384 -1.029 20 0 GAADMO COC(=O)c1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171264477 1075079388 /nfs/dbraw/zinc/07/93/88/1075079388.db2.gz IGQRCUIRYTUCJR-HUXSOILUSA-N 1 1 378.345 -2.024 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(c3)OCC(=O)N4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264481 1075079335 /nfs/dbraw/zinc/07/93/35/1075079335.db2.gz IMIJFSHBDZLCIY-RAEVTNRLSA-N 1 1 389.368 -1.270 20 0 GAADMO COc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn2ccnc12 ZINC001171264572 1075079352 /nfs/dbraw/zinc/07/93/52/1075079352.db2.gz MJSQYTRTRLVKNA-PMXXHBEXSA-N 1 1 389.372 -1.550 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccccc3-c3nn[nH]n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264625 1075079624 /nfs/dbraw/zinc/07/96/24/1075079624.db2.gz OWWKMDGTKHPBSD-BPGGGUHBSA-N 1 1 386.372 -1.421 20 0 GAADMO Cc1nc(C(N)=O)ccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264630 1075079585 /nfs/dbraw/zinc/07/95/85/1075079585.db2.gz PBONTNJAZJXGAF-BPGGGUHBSA-N 1 1 376.373 -1.799 20 0 GAADMO CCOC(=O)c1ncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171264634 1075079638 /nfs/dbraw/zinc/07/96/38/1075079638.db2.gz PFAIOLLVAVVHKZ-XIDUGBJDSA-N 1 1 392.372 -1.634 20 0 GAADMO CCOC(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171264722 1075079659 /nfs/dbraw/zinc/07/96/59/1075079659.db2.gz UABWDZGTEGTIAF-OJAKKHQRSA-N 1 1 392.372 -1.634 20 0 GAADMO CN(C)C(=O)c1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171264723 1075079632 /nfs/dbraw/zinc/07/96/32/1075079632.db2.gz UAWOSINIJUKNBY-XKVFNRALSA-N 1 1 390.400 -1.504 20 0 GAADMO COC(=O)c1cc(C)cnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264739 1075079683 /nfs/dbraw/zinc/07/96/83/1075079683.db2.gz USORHKKBEZZJEW-BPGGGUHBSA-N 1 1 391.384 -1.111 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc(N4CCC4)nc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264752 1075079570 /nfs/dbraw/zinc/07/95/70/1075079570.db2.gz VJSOGMHKQUJNHU-FMKGYKFTSA-N 1 1 375.389 -1.601 20 0 GAADMO COC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1C ZINC001171264772 1075079611 /nfs/dbraw/zinc/07/96/11/1075079611.db2.gz WMRHOHLXQJZFPH-JUDXGUMMSA-N 1 1 391.384 -1.111 20 0 GAADMO Cc1c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cccc1C(N)=O ZINC001171264786 1075079597 /nfs/dbraw/zinc/07/95/97/1075079597.db2.gz XBMHRGOYUXVHDR-XKVFNRALSA-N 1 1 375.385 -1.194 20 0 GAADMO Cc1c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cncc1C(N)=O ZINC001171264826 1075079700 /nfs/dbraw/zinc/07/97/00/1075079700.db2.gz ZCLGOKKLMGYCQC-BPGGGUHBSA-N 1 1 376.373 -1.799 20 0 GAADMO COc1ncnc(Cl)c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264842 1075079617 /nfs/dbraw/zinc/07/96/17/1075079617.db2.gz ZUTVUKQLZSGSGX-CLOKMRPHSA-N 1 1 384.780 -1.149 20 0 GAADMO COCCn1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1=O ZINC001171266057 1075079645 /nfs/dbraw/zinc/07/96/45/1075079645.db2.gz ABTHCJTUBDDZMX-SEWBAHNZSA-N 1 1 394.388 -2.398 20 0 GAADMO CC(C)Cn1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1=O ZINC001171266070 1075079691 /nfs/dbraw/zinc/07/96/91/1075079691.db2.gz BDMBRBSARANPJM-HMTTWLPMSA-N 1 1 392.416 -1.388 20 0 GAADMO CC(C)Oc1ncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171266085 1075079950 /nfs/dbraw/zinc/07/99/50/1075079950.db2.gz BWJHIAZNOMKFFH-FMKGYKFTSA-N 1 1 378.389 -1.024 20 0 GAADMO CNC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cnc1F ZINC001171266090 1075079933 /nfs/dbraw/zinc/07/99/33/1075079933.db2.gz BXVUUKZBPGIBEP-SDBHATRESA-N 1 1 394.363 -1.707 20 0 GAADMO COC(=O)Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccn1 ZINC001171266101 1075079918 /nfs/dbraw/zinc/07/99/18/1075079918.db2.gz CGNZRLIKGZONCG-RAEVTNRLSA-N 1 1 391.384 -1.491 20 0 GAADMO COC(=O)c1nccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171266103 1075079942 /nfs/dbraw/zinc/07/99/42/1075079942.db2.gz CHRBKJODBUIZDH-GDECHXLSSA-N 1 1 378.345 -2.437 20 0 GAADMO NC(=O)Cc1ccccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171266124 1075079871 /nfs/dbraw/zinc/07/98/71/1075079871.db2.gz DIBHPXCLBHMCQC-RAEVTNRLSA-N 1 1 375.385 -1.573 20 0 GAADMO COC(=O)c1cnccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171266375 1075079962 /nfs/dbraw/zinc/07/99/62/1075079962.db2.gz HAVBYLWSKWCLOV-FMKGYKFTSA-N 1 1 377.357 -1.832 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3c[nH]c4coc(=O)c-4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266398 1075080016 /nfs/dbraw/zinc/08/00/16/1075080016.db2.gz IEGIQSVAVKBATL-FMKGYKFTSA-N 1 1 375.341 -1.536 20 0 GAADMO CC(C)Oc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171266404 1075079889 /nfs/dbraw/zinc/07/98/89/1075079889.db2.gz IGCAZBIMUOMKCP-SEWBAHNZSA-N 1 1 378.389 -1.024 20 0 GAADMO CC(C)n1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1=O ZINC001171266418 1075079906 /nfs/dbraw/zinc/07/99/06/1075079906.db2.gz IIWUNGCIZNFTHW-SEWBAHNZSA-N 1 1 378.389 -1.463 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc(OCC4CC4)nc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266499 1075079865 /nfs/dbraw/zinc/07/98/65/1075079865.db2.gz IXTCGLIUZQIGDQ-NMFUWQPSSA-N 1 1 390.400 -1.022 20 0 GAADMO C[S@](=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171266782 1075079877 /nfs/dbraw/zinc/07/98/77/1075079877.db2.gz MFGBUHXXQGGPDZ-HMFMBEQVSA-N 1 1 381.414 -1.469 20 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385.384 -1.020 20 0 GAADMO CC(C)n1ncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1=O ZINC001171267399 1075080245 /nfs/dbraw/zinc/08/02/45/1075080245.db2.gz YSMPRWRYWLNYRU-JUDXGUMMSA-N 1 1 378.389 -1.463 20 0 GAADMO CC(C)Cn1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cnc1=O ZINC001171267401 1075080361 /nfs/dbraw/zinc/08/03/61/1075080361.db2.gz YSSWHWIXNVBIJE-NMFUWQPSSA-N 1 1 392.416 -1.388 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4ncnn4c3F)nc2=O)O[C@H](CO)[C@H]1O ZINC001171271914 1075080514 /nfs/dbraw/zinc/08/05/14/1075080514.db2.gz SMUYZODBHPXIEX-LHNIVKCTSA-N 1 1 377.336 -1.419 20 0 GAADMO COCCn1cc(N2C[C@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)CC2=O)cn1 ZINC001171661448 1075091162 /nfs/dbraw/zinc/09/11/62/1075091162.db2.gz BVIIBTJKRFWENK-CXAGYDPISA-N 1 1 381.433 -1.651 20 0 GAADMO COCCn1cc(N2C[C@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)CC2=O)cn1 ZINC001171661449 1075091182 /nfs/dbraw/zinc/09/11/82/1075091182.db2.gz BVIIBTJKRFWENK-DYVFJYSZSA-N 1 1 381.433 -1.651 20 0 GAADMO COCCn1cc(N2C[C@@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)CC2=O)cn1 ZINC001171661450 1075091027 /nfs/dbraw/zinc/09/10/27/1075091027.db2.gz BVIIBTJKRFWENK-GUYCJALGSA-N 1 1 381.433 -1.651 20 0 GAADMO COCCn1cc(N2C[C@@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)CC2=O)cn1 ZINC001171661451 1075091035 /nfs/dbraw/zinc/09/10/35/1075091035.db2.gz BVIIBTJKRFWENK-SUMWQHHRSA-N 1 1 381.433 -1.651 20 0 GAADMO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC001171661641 1075091122 /nfs/dbraw/zinc/09/11/22/1075091122.db2.gz FFRMQLIDBCOOTL-INIZCTEOSA-N 1 1 387.458 -1.308 20 0 GAADMO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001171661642 1075091101 /nfs/dbraw/zinc/09/11/01/1075091101.db2.gz FFRMQLIDBCOOTL-MRXNPFEDSA-N 1 1 387.458 -1.308 20 0 GAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC001171661674 1075090980 /nfs/dbraw/zinc/09/09/80/1075090980.db2.gz GMGJYJXJBMPGMX-KRWDZBQOSA-N 1 1 375.385 -1.087 20 0 GAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 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RFKOCDBEIMZCRX-INIZCTEOSA-N 1 1 387.458 -1.308 20 0 GAADMO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001171662239 1075091554 /nfs/dbraw/zinc/09/15/54/1075091554.db2.gz RFKOCDBEIMZCRX-MRXNPFEDSA-N 1 1 387.458 -1.308 20 0 GAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC001171662363 1075091507 /nfs/dbraw/zinc/09/15/07/1075091507.db2.gz WJVVFSZGMXIJIK-KRWDZBQOSA-N 1 1 379.413 -1.163 20 0 GAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC001171662364 1075091478 /nfs/dbraw/zinc/09/14/78/1075091478.db2.gz WJVVFSZGMXIJIK-QGZVFWFLSA-N 1 1 379.413 -1.163 20 0 GAADMO O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001171662454 1075091524 /nfs/dbraw/zinc/09/15/24/1075091524.db2.gz ZRNLRFCBIYNRRZ-MOPGFXCFSA-N 1 1 388.424 -1.153 20 0 GAADMO O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001171662455 1075091517 /nfs/dbraw/zinc/09/15/17/1075091517.db2.gz ZRNLRFCBIYNRRZ-OALUTQOASA-N 1 1 388.424 -1.153 20 0 GAADMO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001171662456 1075091473 /nfs/dbraw/zinc/09/14/73/1075091473.db2.gz ZRNLRFCBIYNRRZ-RBUKOAKNSA-N 1 1 388.424 -1.153 20 0 GAADMO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001171662457 1075091501 /nfs/dbraw/zinc/09/15/01/1075091501.db2.gz ZRNLRFCBIYNRRZ-RTBURBONSA-N 1 1 388.424 -1.153 20 0 GAADMO NC(=O)[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1C(N)=O ZINC001171942998 1075091926 /nfs/dbraw/zinc/09/19/26/1075091926.db2.gz NBWYRCIEGVSWQT-BETUJISGSA-N 1 1 377.420 -1.007 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(N[C@H]3CCN(C4CC4)C(=O)C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001172011644 1075091744 /nfs/dbraw/zinc/09/17/44/1075091744.db2.gz IOWKBOLKBDCEQZ-PEIKOTFYSA-N 1 1 379.417 -1.779 20 0 GAADMO [NH3+][C@H]1[C@H](n2ccc(N[C@@H]3CCN(C4CC4)C(=O)C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001172011661 1075091882 /nfs/dbraw/zinc/09/18/82/1075091882.db2.gz IOWKBOLKBDCEQZ-SJWGDGNFSA-N 1 1 379.417 -1.779 20 0 GAADMO 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COC(=O)c1cc2cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cnc2[nH]1 ZINC001218670772 1074023811 /nfs/dbraw/zinc/02/38/11/1074023811.db2.gz LHJVDBZCZPYMLG-XVKPBYJWSA-N 1 1 376.373 -1.005 20 0 GAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc[nH]c(=O)c1Br ZINC001218679510 1074024037 /nfs/dbraw/zinc/02/40/37/1074024037.db2.gz UILAHLPSSJTOEO-WHFBIAKZSA-N 1 1 375.183 -1.409 20 0 GAADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001218702003 1074023859 /nfs/dbraw/zinc/02/38/59/1074023859.db2.gz HUKISHVQVISFRU-LLVKDONJSA-N 1 1 390.448 -1.225 20 0 GAADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001218702005 1074024015 /nfs/dbraw/zinc/02/40/15/1074024015.db2.gz HUKISHVQVISFRU-NSHDSACASA-N 1 1 390.448 -1.225 20 0 GAADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001218703214 1074024083 /nfs/dbraw/zinc/02/40/83/1074024083.db2.gz BXGSMXVALRPFLL-GFCCVEGCSA-N 1 1 386.416 -1.092 20 0 GAADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001218703221 1074023877 /nfs/dbraw/zinc/02/38/77/1074023877.db2.gz BXGSMXVALRPFLL-LBPRGKRZSA-N 1 1 386.416 -1.092 20 0 GAADMO C[NH+](C)CCCC[C@H](N)C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001218703602 1074023957 /nfs/dbraw/zinc/02/39/57/1074023957.db2.gz GLFWMXIZCVPERI-NSHDSACASA-N 1 1 380.453 -1.040 20 0 GAADMO N[C@@H](CSCC[NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770401 1074025553 /nfs/dbraw/zinc/02/55/53/1074025553.db2.gz FSNKCZUMBMOEIN-NSHDSACASA-N 1 1 383.478 -1.522 20 0 GAADMO COC(=O)[C@@H]([NH3+])CCC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771176 1074025601 /nfs/dbraw/zinc/02/56/01/1074025601.db2.gz VQGFLCYMMDATCP-NSHDSACASA-N 1 1 380.405 -1.261 20 0 GAADMO Nc1ncn(C(=O)[C@@H](N)Cn2cccn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776331 1074026604 /nfs/dbraw/zinc/02/66/04/1074026604.db2.gz FYAMSRZPSXWNQT-GRYCIOLGSA-N 1 1 394.867 -1.146 20 0 GAADMO Nc1ncn(C(=O)[C@@H](N)Cn2cccn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776332 1074026387 /nfs/dbraw/zinc/02/63/87/1074026387.db2.gz FYAMSRZPSXWNQT-SDDRHHMPSA-N 1 1 394.867 -1.146 20 0 GAADMO Nc1ncn(C(=O)[C@@H](N)Cn2cccn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776333 1074026492 /nfs/dbraw/zinc/02/64/92/1074026492.db2.gz FYAMSRZPSXWNQT-SRVKXCTJSA-N 1 1 394.867 -1.146 20 0 GAADMO Nc1ncn(C(=O)[C@@H](N)Cn2cccn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776334 1074026465 /nfs/dbraw/zinc/02/64/65/1074026465.db2.gz FYAMSRZPSXWNQT-WOPDTQHZSA-N 1 1 394.867 -1.146 20 0 GAADMO Nc1ncn(C(=O)[C@@H]2CNCCC2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778612 1074027221 /nfs/dbraw/zinc/02/72/21/1074027221.db2.gz UGHLLGBLDDRHJI-CKYFFXLPSA-N 1 1 382.852 -1.191 20 0 GAADMO Nc1ncn(C(=O)[C@@H]2CNCCC2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778613 1074027293 /nfs/dbraw/zinc/02/72/93/1074027293.db2.gz UGHLLGBLDDRHJI-FOGDFJRCSA-N 1 1 382.852 -1.191 20 0 GAADMO Nc1ncn(C(=O)[C@@H]2CNCCC2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778614 1074027248 /nfs/dbraw/zinc/02/72/48/1074027248.db2.gz UGHLLGBLDDRHJI-HOSYDEDBSA-N 1 1 382.852 -1.191 20 0 GAADMO Nc1ncn(C(=O)[C@@H]2CNCCC2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778615 1074027405 /nfs/dbraw/zinc/02/74/05/1074027405.db2.gz UGHLLGBLDDRHJI-UMNHJUIQSA-N 1 1 382.852 -1.191 20 0 GAADMO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218873337 1074029131 /nfs/dbraw/zinc/02/91/31/1074029131.db2.gz IESUUMSTMCVTNE-UHFFFAOYSA-N 1 1 399.517 -1.040 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874885 1074029047 /nfs/dbraw/zinc/02/90/47/1074029047.db2.gz YXGHUERFULTZTM-BBRMVZONSA-N 1 1 379.461 -1.436 20 0 GAADMO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccccc1C(=O)N1CCNCC1 ZINC001218880009 1074029528 /nfs/dbraw/zinc/02/95/28/1074029528.db2.gz PVYXZDVXWCDLJF-UHFFFAOYSA-N 1 1 383.474 -1.109 20 0 GAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccccc1C(=O)N1CCNCC1 ZINC001218882442 1074030189 /nfs/dbraw/zinc/03/01/89/1074030189.db2.gz ULSWKYUAGZRLFL-FZMZJTMJSA-N 1 1 390.444 -1.622 20 0 GAADMO COC(=O)c1c2[nH]ncc2ccc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218988990 1074030567 /nfs/dbraw/zinc/03/05/67/1074030567.db2.gz MQMUVPORFXLIRM-XVKPBYJWSA-N 1 1 376.373 -1.005 20 0 GAADMO C[NH+](C)CCc1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc1 ZINC001219022091 1074030431 /nfs/dbraw/zinc/03/04/31/1074030431.db2.gz ADVXAAYNSQUEGG-UHFFFAOYSA-N 1 1 392.460 -1.964 20 0 GAADMO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN(C)C)C(=O)CF ZINC001219553597 1074031612 /nfs/dbraw/zinc/03/16/12/1074031612.db2.gz BWOFIVJQEYBOLG-HUBLWGQQSA-N 1 1 389.472 -1.434 20 0 GAADMO CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001219595541 1074032248 /nfs/dbraw/zinc/03/22/48/1074032248.db2.gz DZNZNLQPQSFRMN-STQMWFEESA-N 1 1 388.446 -2.514 20 0 GAADMO CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN ZINC001219595866 1074032178 /nfs/dbraw/zinc/03/21/78/1074032178.db2.gz UAVWPQZJCGWNKS-AWEZNQCLSA-N 1 1 381.458 -1.099 20 0 GAADMO CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595937 1074032104 /nfs/dbraw/zinc/03/21/04/1074032104.db2.gz WXGXEGXOZFVQQO-RYUDHWBXSA-N 1 1 378.495 -1.133 20 0 GAADMO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1cnc[nH]1)C(=O)CF ZINC001219605918 1074032280 /nfs/dbraw/zinc/03/22/80/1074032280.db2.gz AHTXEVOYCWBMSW-WBIUFABUSA-N 1 1 398.439 -1.073 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613926 1074032069 /nfs/dbraw/zinc/03/20/69/1074032069.db2.gz QALULJAWVCHGMN-BHDSKKPTSA-N 1 1 379.383 -1.149 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613927 1074032308 /nfs/dbraw/zinc/03/23/08/1074032308.db2.gz QALULJAWVCHGMN-PKFCDNJMSA-N 1 1 379.383 -1.149 20 0 GAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)C1 ZINC001219652192 1074032678 /nfs/dbraw/zinc/03/26/78/1074032678.db2.gz HKOKNVXMKZPSQH-SYQHCUMBSA-N 1 1 390.506 -1.656 20 0 GAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)C1 ZINC001219652192 1074032668 /nfs/dbraw/zinc/03/26/68/1074032668.db2.gz HKOKNVXMKZPSQH-SYQHCUMBSA-N 1 1 390.506 -1.656 20 0 GAADMO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@@H](O)C1 ZINC001219652360 1074033248 /nfs/dbraw/zinc/03/32/48/1074033248.db2.gz UZKOPMHNEQOQTC-SYQHCUMBSA-N 1 1 390.506 -1.608 20 0 GAADMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@@H](O)C1 ZINC001219652360 1074033236 /nfs/dbraw/zinc/03/32/36/1074033236.db2.gz UZKOPMHNEQOQTC-SYQHCUMBSA-N 1 1 390.506 -1.608 20 0 GAADMO CC(C)CNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655901 1074033211 /nfs/dbraw/zinc/03/32/11/1074033211.db2.gz ADVJIVWSWXSAEX-TUVASFSCSA-N 1 1 383.493 -1.030 20 0 GAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)N(C)Cc3cnn(C)c3)C[C@@H]2O)CC[N@H+]1C ZINC001219655997 1074033184 /nfs/dbraw/zinc/03/31/84/1074033184.db2.gz GDHFGVZGWICXLM-DZUCGIPZSA-N 1 1 392.504 -1.120 20 0 GAADMO COCCS(=O)(=O)CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656048 1074033436 /nfs/dbraw/zinc/03/34/36/1074033436.db2.gz IRPCUEQHWGYNIL-FPCVCCKLSA-N 1 1 391.534 -1.061 20 0 GAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCS(=O)(=O)N(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001219656100 1074033373 /nfs/dbraw/zinc/03/33/73/1074033373.db2.gz KTQDWAQRPNPRLA-TUVASFSCSA-N 1 1 376.523 -1.231 20 0 GAADMO CCS(=O)(=O)NCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656314 1074033461 /nfs/dbraw/zinc/03/34/61/1074033461.db2.gz WXXOBUGYQFPYLM-TUVASFSCSA-N 1 1 376.523 -1.183 20 0 GAADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[N@H+]1C ZINC001219660584 1074033303 /nfs/dbraw/zinc/03/33/03/1074033303.db2.gz DMQFIRMAIIPBKZ-YJNKXOJESA-N 1 1 376.523 -1.231 20 0 GAADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]2O)CC[N@H+]1C ZINC001219661039 1074033493 /nfs/dbraw/zinc/03/34/93/1074033493.db2.gz QRYZNLNYCUYIMM-YJNKXOJESA-N 1 1 381.477 -1.134 20 0 GAADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCNS(=O)(=O)CC)C[C@@H]2O)CC[N@H+]1C ZINC001219661199 1074033274 /nfs/dbraw/zinc/03/32/74/1074033274.db2.gz ZSRIMPJCKCVVRB-YJNKXOJESA-N 1 1 376.523 -1.183 20 0 GAADMO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671365 1074033851 /nfs/dbraw/zinc/03/38/51/1074033851.db2.gz FEIXVASTTYPINT-UBHSHLNASA-N 1 1 385.442 -1.958 20 0 GAADMO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671366 1074033886 /nfs/dbraw/zinc/03/38/86/1074033886.db2.gz FEIXVASTTYPINT-XBFCOCLRSA-N 1 1 385.442 -1.958 20 0 GAADMO N[C@H](CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC001219676221 1074034100 /nfs/dbraw/zinc/03/41/00/1074034100.db2.gz BQKRVODTNLGDIH-OAHLLOKOSA-N 1 1 398.485 -1.202 20 0 GAADMO Nc1nc2c(ncn2CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c(=O)[nH]1 ZINC001219678191 1074034368 /nfs/dbraw/zinc/03/43/68/1074034368.db2.gz GPEBHWIFZXULQY-UHFFFAOYSA-N 1 1 384.422 -2.535 20 0 GAADMO 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[NH3+]CCN(CCNC(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)N(O)N=O ZINC001220902832 1074054999 /nfs/dbraw/zinc/05/49/99/1074054999.db2.gz BQRRCPVCRQVPDI-VIFPVBQESA-N 1 1 387.363 -1.173 20 0 GAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903710 1074054814 /nfs/dbraw/zinc/05/48/14/1074054814.db2.gz YLQXMXODCVRFNH-QWRGUYRKSA-N 1 1 388.429 -2.895 20 0 GAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCN(CC(=O)C(C)(C)C)CC1 ZINC001220909263 1074055038 /nfs/dbraw/zinc/05/50/38/1074055038.db2.gz QDEBVIYNPPYMLZ-AAEUAGOBSA-N 1 1 383.493 -1.110 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918750 1074055071 /nfs/dbraw/zinc/05/50/71/1074055071.db2.gz FJPUXEXCTKUNRQ-CYBMUJFWSA-N 1 1 396.492 -2.183 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918750 1074055067 /nfs/dbraw/zinc/05/50/67/1074055067.db2.gz FJPUXEXCTKUNRQ-CYBMUJFWSA-N 1 1 396.492 -2.183 20 0 GAADMO 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378.389 -1.685 20 0 GAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001220967273 1074056565 /nfs/dbraw/zinc/05/65/65/1074056565.db2.gz YJJLCUVSVVFLPN-MEWQQHAOSA-N 1 1 384.389 -1.698 20 0 GAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971028 1074056579 /nfs/dbraw/zinc/05/65/79/1074056579.db2.gz PZXZPXZKMYNJSY-ZFWWWQNUSA-N 1 1 391.472 -1.553 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972937 1074056539 /nfs/dbraw/zinc/05/65/39/1074056539.db2.gz OUUMABJMEFVSNG-UHFFFAOYSA-N 1 1 396.492 -2.196 20 0 GAADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001220993744 1074056417 /nfs/dbraw/zinc/05/64/17/1074056417.db2.gz OGGQVLFBBXTUNR-OKILXGFUSA-N 1 1 387.444 -1.097 20 0 GAADMO NC(=O)C1=NO[C@@H](CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001220994044 1074056706 /nfs/dbraw/zinc/05/67/06/1074056706.db2.gz ZCUFUQWVYOXDQU-CYBMUJFWSA-N 1 1 390.448 -1.082 20 0 GAADMO NC(=O)C1=NO[C@H](CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001220994045 1074056556 /nfs/dbraw/zinc/05/65/56/1074056556.db2.gz ZCUFUQWVYOXDQU-ZDUSSCGKSA-N 1 1 390.448 -1.082 20 0 GAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001221006301 1074057200 /nfs/dbraw/zinc/05/72/00/1074057200.db2.gz DMQIGZRFSMGPSJ-JOCQHMNTSA-N 1 1 377.511 -1.688 20 0 GAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C)CC1 ZINC001221006752 1074057098 /nfs/dbraw/zinc/05/70/98/1074057098.db2.gz MDYFDRBAHMTLFZ-CYDGBPFRSA-N 1 1 384.481 -2.201 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060582 1074057662 /nfs/dbraw/zinc/05/76/62/1074057662.db2.gz GFRYMKAJXSYWRV-UHFFFAOYSA-N 1 1 382.396 -2.575 20 0 GAADMO COCCC1([NH3+])CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001221134139 1074057630 /nfs/dbraw/zinc/05/76/30/1074057630.db2.gz MOBCGJDRCDAHIR-UHFFFAOYSA-N 1 1 386.453 -3.350 20 0 GAADMO COCCC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)CC1 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/nfs/dbraw/zinc/05/82/02/1074058202.db2.gz IAHPPRWQCYILIA-CQSZACIVSA-N 1 1 398.489 -1.292 20 0 GAADMO O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221148626 1074058049 /nfs/dbraw/zinc/05/80/49/1074058049.db2.gz IZHVQUABMNOUNQ-CXAGYDPISA-N 1 1 379.486 -1.116 20 0 GAADMO O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221148627 1074058091 /nfs/dbraw/zinc/05/80/91/1074058091.db2.gz IZHVQUABMNOUNQ-DYVFJYSZSA-N 1 1 379.486 -1.116 20 0 GAADMO O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221148628 1074058309 /nfs/dbraw/zinc/05/83/09/1074058309.db2.gz IZHVQUABMNOUNQ-GUYCJALGSA-N 1 1 379.486 -1.116 20 0 GAADMO O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221148629 1074058180 /nfs/dbraw/zinc/05/81/80/1074058180.db2.gz IZHVQUABMNOUNQ-SUMWQHHRSA-N 1 1 379.486 -1.116 20 0 GAADMO [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148648 1074058335 /nfs/dbraw/zinc/05/83/35/1074058335.db2.gz JRWOPMLBOARYLR-HNNXBMFYSA-N 1 1 395.485 -1.118 20 0 GAADMO CC(C)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188114 1074058275 /nfs/dbraw/zinc/05/82/75/1074058275.db2.gz OJBQYHDWCPNDJX-HDJSIYSDSA-N 1 1 398.508 -1.952 20 0 GAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221331036 1074059214 /nfs/dbraw/zinc/05/92/14/1074059214.db2.gz BPCSMXHGHZNPCL-AWEZNQCLSA-N 1 1 390.444 -2.794 20 0 GAADMO C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347622 1074059958 /nfs/dbraw/zinc/05/99/58/1074059958.db2.gz AQRFCKVHNMNNRH-DILDSQINSA-N 1 1 398.489 -1.991 20 0 GAADMO C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347632 1074059929 /nfs/dbraw/zinc/05/99/29/1074059929.db2.gz AQRFCKVHNMNNRH-DYSICVKHSA-N 1 1 398.489 -1.991 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1(N)CC[NH2+]CC1 ZINC001221347701 1074059840 /nfs/dbraw/zinc/05/98/40/1074059840.db2.gz BKLYRXLFBQBVCU-STQMWFEESA-N 1 1 377.449 -2.006 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC1CC[NH2+]CC1 ZINC001221347709 1074059855 /nfs/dbraw/zinc/05/98/55/1074059855.db2.gz BPCFKSUGKFRAJJ-GJZGRUSLSA-N 1 1 391.476 -1.745 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001221347734 1074060073 /nfs/dbraw/zinc/06/00/73/1074060073.db2.gz BXGTVXRZCKSDMB-CRWXNKLISA-N 1 1 380.424 -1.139 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001221347735 1074060155 /nfs/dbraw/zinc/06/01/55/1074060155.db2.gz BXGTVXRZCKSDMB-MQYQWHSLSA-N 1 1 380.424 -1.139 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001221347736 1074059762 /nfs/dbraw/zinc/05/97/62/1074059762.db2.gz BXGTVXRZCKSDMB-RFGFWPKPSA-N 1 1 380.424 -1.139 20 0 GAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001221347737 1074059868 /nfs/dbraw/zinc/05/98/68/1074059868.db2.gz 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COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CN1 ZINC001246316709 1074096084 /nfs/dbraw/zinc/09/60/84/1074096084.db2.gz SHSJICFFAVEDRJ-WGLZUUKSSA-N 1 1 384.389 -2.549 20 0 GAADMO COC(=O)[C@@H]1CC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CN1 ZINC001246317684 1074096163 /nfs/dbraw/zinc/09/61/63/1074096163.db2.gz XNRZPGQPMWSFKK-IJKURQBASA-N 1 1 383.405 -2.639 20 0 GAADMO COC(=O)[C@@H]1CC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CN1 ZINC001246317702 1074096109 /nfs/dbraw/zinc/09/61/09/1074096109.db2.gz XNRZPGQPMWSFKK-WGLZUUKSSA-N 1 1 383.405 -2.639 20 0 GAADMO COCC(=O)NCc1cc(=O)n2c(n1)CN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)CCC2 ZINC001246706485 1074097862 /nfs/dbraw/zinc/09/78/62/1074097862.db2.gz PXHGZRQHLAOGIU-KBPBESRZSA-N 1 1 393.444 -1.385 20 0 GAADMO COCC(=O)NCc1cc(=O)n2c(n1)CN([C@H]1C[NH2+][C@H](C(=O)OC)C1)CCC2 ZINC001246707686 1074097958 /nfs/dbraw/zinc/09/79/58/1074097958.db2.gz PXHGZRQHLAOGIU-KGLIPLIRSA-N 1 1 393.444 -1.385 20 0 GAADMO COCC(=O)NCc1cc(=O)n2c(n1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246708824 1074097918 /nfs/dbraw/zinc/09/79/18/1074097918.db2.gz SZRITCWRJULVFQ-HNNXBMFYSA-N 1 1 390.488 -1.194 20 0 GAADMO COCC(=O)NCc1cc(=O)n2c(n1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246708825 1074097756 /nfs/dbraw/zinc/09/77/56/1074097756.db2.gz SZRITCWRJULVFQ-OAHLLOKOSA-N 1 1 390.488 -1.194 20 0 GAADMO COC(=O)[C@@H]1C[C@H](N2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)C[NH2+]1 ZINC001246744076 1074098042 /nfs/dbraw/zinc/09/80/42/1074098042.db2.gz ILYBHDOZXHVSDZ-DHSIGJKJSA-N 1 1 393.444 -1.242 20 0 GAADMO COC(=O)[C@@H]1C[C@@H](N2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)C[NH2+]1 ZINC001246744077 1074097797 /nfs/dbraw/zinc/09/77/97/1074097797.db2.gz ILYBHDOZXHVSDZ-QIIPPGSGSA-N 1 1 393.444 -1.242 20 0 GAADMO COC(=O)[C@@H]1C[C@@H](N2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)C[NH2+]1 ZINC001246744078 1074098027 /nfs/dbraw/zinc/09/80/27/1074098027.db2.gz ILYBHDOZXHVSDZ-XUWXXGDYSA-N 1 1 393.444 -1.242 20 0 GAADMO COC(=O)[C@@H]1C[C@H](N2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)C[NH2+]1 ZINC001246744079 1074097836 /nfs/dbraw/zinc/09/78/36/1074097836.db2.gz ILYBHDOZXHVSDZ-YEWWUXTCSA-N 1 1 393.444 -1.242 20 0 GAADMO COC(=O)[C@@H]1C[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)CN1 ZINC001246750092 1074098062 /nfs/dbraw/zinc/09/80/62/1074098062.db2.gz CYEFMZQHMWXAEA-OLZOCXBDSA-N 1 1 399.473 -1.598 20 0 GAADMO COC(=O)[C@@H]1C[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)CN1 ZINC001246750105 1074097982 /nfs/dbraw/zinc/09/79/82/1074097982.db2.gz CYEFMZQHMWXAEA-STQMWFEESA-N 1 1 399.473 -1.598 20 0 GAADMO CS(=O)(=O)N(Cc1cc(=O)n2c(n1)CNCCC2)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246754926 1074098414 /nfs/dbraw/zinc/09/84/14/1074098414.db2.gz OUTQPPAQRJFQFH-AWEZNQCLSA-N 1 1 396.517 -1.408 20 0 GAADMO CS(=O)(=O)N(Cc1cc(=O)n2c(n1)CNCCC2)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246754938 1074098477 /nfs/dbraw/zinc/09/84/77/1074098477.db2.gz OUTQPPAQRJFQFH-CQSZACIVSA-N 1 1 396.517 -1.408 20 0 GAADMO C[NH+]1CCN(C2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)CC1 ZINC001246799151 1074098449 /nfs/dbraw/zinc/09/84/49/1074098449.db2.gz FQGUGLXNSPNTBQ-UHFFFAOYSA-N 1 1 376.465 -1.057 20 0 GAADMO C[NH+]1CCN(c2ccccc2-c2noc(C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n2)CC1 ZINC001247615099 1074099829 /nfs/dbraw/zinc/09/98/29/1074099829.db2.gz UMRNKYRYKJDKQD-QLFBSQMISA-N 1 1 392.412 -1.254 20 0 GAADMO C[NH+]1CCN(c2ccccc2-c2noc(C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n2)CC1 ZINC001247615102 1074099852 /nfs/dbraw/zinc/09/98/52/1074099852.db2.gz UMRNKYRYKJDKQD-RBSFLKMASA-N 1 1 392.412 -1.254 20 0 GAADMO C[NH+]1CCN(c2ccccc2-c2noc(C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n2)CC1 ZINC001247615107 1074099768 /nfs/dbraw/zinc/09/97/68/1074099768.db2.gz UMRNKYRYKJDKQD-RRFJBIMHSA-N 1 1 392.412 -1.254 20 0 GAADMO C[NH+]1CCN(c2ccccc2-c2noc(C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n2)CC1 ZINC001247615111 1074099925 /nfs/dbraw/zinc/09/99/25/1074099925.db2.gz UMRNKYRYKJDKQD-SOUVJXGZSA-N 1 1 392.412 -1.254 20 0 GAADMO O=C(CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)NCC(=O)NCc1ccccc1 ZINC001248598484 1074102636 /nfs/dbraw/zinc/10/26/36/1074102636.db2.gz FWCAGKVQYCFVNI-HNNXBMFYSA-N 1 1 377.445 -1.215 20 0 GAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC001248672170 1074103129 /nfs/dbraw/zinc/10/31/29/1074103129.db2.gz CYZDDYWXWAEWRL-UHFFFAOYSA-N 1 1 386.416 -1.073 20 0 GAADMO COc1cccc([C@@H](O)C[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)c1 ZINC001250733851 1074104111 /nfs/dbraw/zinc/10/41/11/1074104111.db2.gz AYWKDMRRUPRYBX-IHWGESPNSA-N 1 1 393.396 -1.100 20 0 GAADMO COc1cccc([C@H](O)C[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)c1 ZINC001250733852 1074104104 /nfs/dbraw/zinc/10/41/04/1074104104.db2.gz AYWKDMRRUPRYBX-PVTMVUMOSA-N 1 1 393.396 -1.100 20 0 GAADMO CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251013396 1074104774 /nfs/dbraw/zinc/10/47/74/1074104774.db2.gz GVVJAUCPOUXZKZ-HKUYNNGSSA-N 1 1 384.521 -1.160 20 0 GAADMO 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CN(C)C(=O)CNC(=O)[C@H]1CCSC12CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001274575326 1075554658 /nfs/dbraw/zinc/55/46/58/1075554658.db2.gz NZRXUJKVOGXOHT-OLZOCXBDSA-N 1 1 384.502 -1.145 20 0 GAADMO CN(C)C(=O)CNC(=O)[C@H]1CCSC12CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001274575326 1075554655 /nfs/dbraw/zinc/55/46/55/1075554655.db2.gz NZRXUJKVOGXOHT-OLZOCXBDSA-N 1 1 384.502 -1.145 20 0 GAADMO CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001274575330 1075554497 /nfs/dbraw/zinc/55/44/97/1075554497.db2.gz NZRXUJKVOGXOHT-QWHCGFSZSA-N 1 1 384.502 -1.145 20 0 GAADMO CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001274575330 1075554492 /nfs/dbraw/zinc/55/44/92/1075554492.db2.gz NZRXUJKVOGXOHT-QWHCGFSZSA-N 1 1 384.502 -1.145 20 0 GAADMO CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001274575339 1075554543 /nfs/dbraw/zinc/55/45/43/1075554543.db2.gz NZRXUJKVOGXOHT-STQMWFEESA-N 1 1 384.502 -1.145 20 0 GAADMO CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001274575339 1075554538 /nfs/dbraw/zinc/55/45/38/1075554538.db2.gz NZRXUJKVOGXOHT-STQMWFEESA-N 1 1 384.502 -1.145 20 0 GAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[C@H](C(=O)NCCS(C)(=O)=O)O3)C1 ZINC001274575838 1075554463 /nfs/dbraw/zinc/55/44/63/1075554463.db2.gz SOWGDUSLVBRDLT-CHWSQXEVSA-N 1 1 389.474 -1.762 20 0 GAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[C@H](C(=O)NCCS(C)(=O)=O)O3)C1 ZINC001274575838 1075554456 /nfs/dbraw/zinc/55/44/56/1075554456.db2.gz SOWGDUSLVBRDLT-CHWSQXEVSA-N 1 1 389.474 -1.762 20 0 GAADMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[C@H](C(=O)NCCS(C)(=O)=O)O3)C1 ZINC001274575844 1075555001 /nfs/dbraw/zinc/55/50/01/1075555001.db2.gz SOWGDUSLVBRDLT-OLZOCXBDSA-N 1 1 389.474 -1.762 20 0 GAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[C@H](C(=O)NCCS(C)(=O)=O)O3)C1 ZINC001274575844 1075554996 /nfs/dbraw/zinc/55/49/96/1075554996.db2.gz SOWGDUSLVBRDLT-OLZOCXBDSA-N 1 1 389.474 -1.762 20 0 GAADMO 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20 0 GAADMO Cn1cnc(S(=O)(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)C[N@H+]4C)[C@@H]3C2)c1 ZINC001274907974 1075565780 /nfs/dbraw/zinc/56/57/80/1075565780.db2.gz HYRJEOFJSLSORY-XDQVBPFNSA-N 1 1 383.474 -1.294 20 0 GAADMO Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)C[N@H+]2C)c1 ZINC001274908030 1075566284 /nfs/dbraw/zinc/56/62/84/1075566284.db2.gz IYOIIKPBMKUNJM-XUXIUFHCSA-N 1 1 383.474 -1.151 20 0 GAADMO CN(C)S(=O)(=O)N1CCO[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274909016 1075566239 /nfs/dbraw/zinc/56/62/39/1075566239.db2.gz RZQGTDLHERWSCH-DZKIICNBSA-N 1 1 390.506 -1.449 20 0 GAADMO CN(C)S(=O)(=O)N1CCO[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274909016 1075566235 /nfs/dbraw/zinc/56/62/35/1075566235.db2.gz RZQGTDLHERWSCH-DZKIICNBSA-N 1 1 390.506 -1.449 20 0 GAADMO CN(C)S(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274909017 1075566278 /nfs/dbraw/zinc/56/62/78/1075566278.db2.gz RZQGTDLHERWSCH-OFQRWUPVSA-N 1 1 390.506 -1.449 20 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CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC001321545900 1074483332 /nfs/dbraw/zinc/48/33/32/1074483332.db2.gz GLOPFVMVZZCROY-ACJLOTCBSA-N 1 1 382.461 -1.281 20 0 GAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 ZINC001321545901 1074483425 /nfs/dbraw/zinc/48/34/25/1074483425.db2.gz GLOPFVMVZZCROY-FZKQIMNGSA-N 1 1 382.461 -1.281 20 0 GAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC001321545902 1074483263 /nfs/dbraw/zinc/48/32/63/1074483263.db2.gz GLOPFVMVZZCROY-SCLBCKFNSA-N 1 1 382.461 -1.281 20 0 GAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC001321545903 1074483360 /nfs/dbraw/zinc/48/33/60/1074483360.db2.gz GLOPFVMVZZCROY-UGSOOPFHSA-N 1 1 382.461 -1.281 20 0 GAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC001321545905 1074483306 /nfs/dbraw/zinc/48/33/06/1074483306.db2.gz GLYQGFKMHUPVGR-AWEZNQCLSA-N 1 1 379.461 -1.417 20 0 GAADMO 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/nfs/dbraw/zinc/49/27/61/1074492761.db2.gz ZGYPZWAVHPBLLS-GFCCVEGCSA-N 1 1 395.464 -1.392 20 0 GAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC001321689816 1074492816 /nfs/dbraw/zinc/49/28/16/1074492816.db2.gz ZGYPZWAVHPBLLS-LBPRGKRZSA-N 1 1 395.464 -1.392 20 0 GAADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC001321689816 1074492812 /nfs/dbraw/zinc/49/28/12/1074492812.db2.gz ZGYPZWAVHPBLLS-LBPRGKRZSA-N 1 1 395.464 -1.392 20 0 GAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC001321702841 1074493700 /nfs/dbraw/zinc/49/37/00/1074493700.db2.gz LBJQNMHZYCIOCM-UHFFFAOYSA-N 1 1 381.477 -1.216 20 0 GAADMO C[C@H](CNC(=O)C(=O)NCc1nnnn1CC1CC1)CN1CC[NH+](C)CC1 ZINC001321712178 1074493778 /nfs/dbraw/zinc/49/37/78/1074493778.db2.gz KXZPSKAQJGBCQU-CYBMUJFWSA-N 1 1 378.481 -1.301 20 0 GAADMO C[C@@H](CNC(=O)C(=O)NCc1nnnn1CC1CC1)CN1CC[NH+](C)CC1 ZINC001321712186 1074494472 /nfs/dbraw/zinc/49/44/72/1074494472.db2.gz KXZPSKAQJGBCQU-ZDUSSCGKSA-N 1 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C[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC001321715219 1074494413 /nfs/dbraw/zinc/49/44/13/1074494413.db2.gz ZRGHCJDBLQTNJY-OLZOCXBDSA-N 1 1 375.495 -2.125 20 0 GAADMO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC001321715220 1074494464 /nfs/dbraw/zinc/49/44/64/1074494464.db2.gz ZRGHCJDBLQTNJY-QWHCGFSZSA-N 1 1 375.495 -2.125 20 0 GAADMO C[C@@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC001321715221 1074494498 /nfs/dbraw/zinc/49/44/98/1074494498.db2.gz ZRGHCJDBLQTNJY-STQMWFEESA-N 1 1 375.495 -2.125 20 0 GAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC001321718095 1074494918 /nfs/dbraw/zinc/49/49/18/1074494918.db2.gz LORUGLLAQFUECG-UHFFFAOYSA-N 1 1 393.452 -2.263 20 0 GAADMO O=C(CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC1 ZINC001321722789 1074494866 /nfs/dbraw/zinc/49/48/66/1074494866.db2.gz LHXFARNMBKDGIJ-INIZCTEOSA-N 1 1 395.504 -1.316 20 0 GAADMO O=C(CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC1 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383.493 -1.462 20 0 GAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC001321775907 1074498716 /nfs/dbraw/zinc/49/87/16/1074498716.db2.gz YLZDGAODXSPNMT-UONOGXRCSA-N 1 1 383.493 -1.462 20 0 GAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC001321775908 1074498830 /nfs/dbraw/zinc/49/88/30/1074498830.db2.gz YLZDGAODXSPNMT-ZIAGYGMSSA-N 1 1 383.493 -1.462 20 0 GAADMO C[C@H](CNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001321794315 1074499187 /nfs/dbraw/zinc/49/91/87/1074499187.db2.gz FTTVUSIVKUQESA-CYBMUJFWSA-N 1 1 390.506 -1.389 20 0 GAADMO C[C@@H](CNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001321794316 1074499138 /nfs/dbraw/zinc/49/91/38/1074499138.db2.gz FTTVUSIVKUQESA-ZDUSSCGKSA-N 1 1 390.506 -1.389 20 0 GAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)CC[N@H+]1CC(C)(C)O ZINC001321820070 1074500138 /nfs/dbraw/zinc/50/01/38/1074500138.db2.gz CLEZTHKQLIJRQE-CHWSQXEVSA-N 1 1 375.491 -1.159 20 0 GAADMO 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CCNS(=O)(=O)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001322843032 1074556463 /nfs/dbraw/zinc/55/64/63/1074556463.db2.gz QQRIYQODAUUWJD-CYBMUJFWSA-N 1 1 376.479 -1.777 20 0 GAADMO CCNS(=O)(=O)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001322843033 1074556478 /nfs/dbraw/zinc/55/64/78/1074556478.db2.gz QQRIYQODAUUWJD-ZDUSSCGKSA-N 1 1 376.479 -1.777 20 0 GAADMO C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)CC1(C)C ZINC001322846230 1074557130 /nfs/dbraw/zinc/55/71/30/1074557130.db2.gz IYJNCLBNFMUWPM-UHFFFAOYSA-N 1 1 389.522 -1.675 20 0 GAADMO COC(=O)C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCO1 ZINC001322854070 1074557096 /nfs/dbraw/zinc/55/70/96/1074557096.db2.gz HTWGREIRVDYSKQ-AWEZNQCLSA-N 1 1 398.460 -1.554 20 0 GAADMO COC(=O)C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCO1 ZINC001322854076 1074557221 /nfs/dbraw/zinc/55/72/21/1074557221.db2.gz HTWGREIRVDYSKQ-CQSZACIVSA-N 1 1 398.460 -1.554 20 0 GAADMO CC(C)N1C[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O 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/nfs/dbraw/zinc/76/21/45/1074762145.db2.gz MJZCAMXMLSWWIA-ZDUSSCGKSA-N 1 1 381.477 -1.360 20 0 GAADMO C[C@@H]1CN(C(=O)C(=O)NCCOCCS(C)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC001326968588 1074762557 /nfs/dbraw/zinc/76/25/57/1074762557.db2.gz VQPKSGJSLRYCIG-CYBMUJFWSA-N 1 1 393.506 -1.533 20 0 GAADMO C[C@@H]1CN(C(=O)C(=O)NCCOCCS(C)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC001326968588 1074762550 /nfs/dbraw/zinc/76/25/50/1074762550.db2.gz VQPKSGJSLRYCIG-CYBMUJFWSA-N 1 1 393.506 -1.533 20 0 GAADMO C[C@H]1CN(C(=O)C(=O)NCCOCCS(C)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC001326968608 1074762504 /nfs/dbraw/zinc/76/25/04/1074762504.db2.gz VQPKSGJSLRYCIG-ZDUSSCGKSA-N 1 1 393.506 -1.533 20 0 GAADMO C[C@H]1CN(C(=O)C(=O)NCCOCCS(C)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC001326968608 1074762495 /nfs/dbraw/zinc/76/24/95/1074762495.db2.gz VQPKSGJSLRYCIG-ZDUSSCGKSA-N 1 1 393.506 -1.533 20 0 GAADMO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001326970071 1074762484 /nfs/dbraw/zinc/76/24/84/1074762484.db2.gz SYBMXGOCXUMAPZ-INIZCTEOSA-N 1 1 395.504 -1.410 20 0 GAADMO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001326970072 1074762445 /nfs/dbraw/zinc/76/24/45/1074762445.db2.gz SYBMXGOCXUMAPZ-MRXNPFEDSA-N 1 1 395.504 -1.410 20 0 GAADMO C[NH+](C)CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC001326977182 1074762618 /nfs/dbraw/zinc/76/26/18/1074762618.db2.gz BDMWLKSHKFQRQX-GFCCVEGCSA-N 1 1 390.487 -1.080 20 0 GAADMO C[NH+](C)CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@H]1CCS(=O)(=O)C1 ZINC001326977185 1074762470 /nfs/dbraw/zinc/76/24/70/1074762470.db2.gz BDMWLKSHKFQRQX-LBPRGKRZSA-N 1 1 390.487 -1.080 20 0 GAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001326977662 1074762600 /nfs/dbraw/zinc/76/26/00/1074762600.db2.gz FJXLEVQLITWMGA-UHFFFAOYSA-N 1 1 386.478 -1.363 20 0 GAADMO C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCN1S(C)(=O)=O ZINC001326996050 1074762889 /nfs/dbraw/zinc/76/28/89/1074762889.db2.gz TVXPMARFJPOIBZ-ZDUSSCGKSA-N 1 1 390.506 -1.606 20 0 GAADMO CNC(=O)[C@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC001327003081 1074763440 /nfs/dbraw/zinc/76/34/40/1074763440.db2.gz CUXJYJMIXQOXPO-LLVKDONJSA-N 1 1 393.487 -1.593 20 0 GAADMO CNC(=O)[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC001327003083 1074763658 /nfs/dbraw/zinc/76/36/58/1074763658.db2.gz CUXJYJMIXQOXPO-NSHDSACASA-N 1 1 393.487 -1.593 20 0 GAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC001327020908 1074763913 /nfs/dbraw/zinc/76/39/13/1074763913.db2.gz HSESNWAHCMDARD-GDBMZVCRSA-N 1 1 398.504 -1.147 20 0 GAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC001327020908 1074763903 /nfs/dbraw/zinc/76/39/03/1074763903.db2.gz HSESNWAHCMDARD-GDBMZVCRSA-N 1 1 398.504 -1.147 20 0 GAADMO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC001327020909 1074764065 /nfs/dbraw/zinc/76/40/65/1074764065.db2.gz HSESNWAHCMDARD-GOEBONIOSA-N 1 1 398.504 -1.147 20 0 GAADMO 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GAADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)OC)C2)CC1 ZINC001327042087 1074766351 /nfs/dbraw/zinc/76/63/51/1074766351.db2.gz KUQMAICCMDNAQU-UONOGXRCSA-N 1 1 385.461 -1.062 20 0 GAADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)CC1 ZINC001327042088 1074766435 /nfs/dbraw/zinc/76/64/35/1074766435.db2.gz KUQMAICCMDNAQU-ZIAGYGMSSA-N 1 1 385.461 -1.062 20 0 GAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)[C@@H]2C1 ZINC001327044807 1074766281 /nfs/dbraw/zinc/76/62/81/1074766281.db2.gz YUVQQHZAQIAKPH-JJRVBVJISA-N 1 1 385.486 -1.045 20 0 GAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)[C@@H]2C1 ZINC001327044808 1074766409 /nfs/dbraw/zinc/76/64/09/1074766409.db2.gz YUVQQHZAQIAKPH-VBQJREDUSA-N 1 1 385.486 -1.045 20 0 GAADMO CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001327052137 1074767096 /nfs/dbraw/zinc/76/70/96/1074767096.db2.gz CXYMKHNBUNCNAP-UHFFFAOYSA-N 1 1 375.495 -1.510 20 0 GAADMO 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GEQLPICUDBRPJV-CHWSQXEVSA-N 1 1 394.432 -1.325 20 0 GAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)C1 ZINC001346151831 1075140167 /nfs/dbraw/zinc/14/01/67/1075140167.db2.gz GEQLPICUDBRPJV-OLZOCXBDSA-N 1 1 394.432 -1.325 20 0 GAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)C1 ZINC001346151832 1075140438 /nfs/dbraw/zinc/14/04/38/1075140438.db2.gz GEQLPICUDBRPJV-QWHCGFSZSA-N 1 1 394.432 -1.325 20 0 GAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)C1 ZINC001346151833 1075140459 /nfs/dbraw/zinc/14/04/59/1075140459.db2.gz GEQLPICUDBRPJV-STQMWFEESA-N 1 1 394.432 -1.325 20 0 GAADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1(C)C ZINC001346183305 1075140926 /nfs/dbraw/zinc/14/09/26/1075140926.db2.gz KBTBSNKBNIEHQZ-UHFFFAOYSA-N 1 1 382.465 -1.813 20 0 GAADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC001346185722 1075141026 /nfs/dbraw/zinc/14/10/26/1075141026.db2.gz ZRQBTLLIMJVQTE-UHFFFAOYSA-N 1 1 383.449 -1.650 20 0 GAADMO CCS(=O)(=O)NCCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001346190332 1075141072 /nfs/dbraw/zinc/14/10/72/1075141072.db2.gz NGBJCXJSEUMCPN-UHFFFAOYSA-N 1 1 391.494 -2.289 20 0 GAADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC[N@H+]1CC(C)(C)O ZINC001346195115 1075141088 /nfs/dbraw/zinc/14/10/88/1075141088.db2.gz RLTULQAJLUMANO-GFCCVEGCSA-N 1 1 393.444 -1.424 20 0 GAADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC001346195115 1075141084 /nfs/dbraw/zinc/14/10/84/1075141084.db2.gz RLTULQAJLUMANO-GFCCVEGCSA-N 1 1 393.444 -1.424 20 0 GAADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC[N@H+]1CC(C)(C)O ZINC001346195119 1075140994 /nfs/dbraw/zinc/14/09/94/1075140994.db2.gz RLTULQAJLUMANO-LBPRGKRZSA-N 1 1 393.444 -1.424 20 0 GAADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC001346195119 1075140992 /nfs/dbraw/zinc/14/09/92/1075140992.db2.gz RLTULQAJLUMANO-LBPRGKRZSA-N 1 1 393.444 -1.424 20 0 GAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)CC1 ZINC001346196519 1075141098 /nfs/dbraw/zinc/14/10/98/1075141098.db2.gz TXIVOPQIYNQIHK-UHFFFAOYSA-N 1 1 390.506 -1.405 20 0 GAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)CC1 ZINC001346199861 1075141507 /nfs/dbraw/zinc/14/15/07/1075141507.db2.gz CQRXBOHUVCMVGL-UHFFFAOYSA-N 1 1 397.476 -2.028 20 0 GAADMO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001346200280 1075141516 /nfs/dbraw/zinc/14/15/16/1075141516.db2.gz LAXHSPMDKIDFPI-KBPBESRZSA-N 1 1 381.477 -1.314 20 0 GAADMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001346200281 1075141524 /nfs/dbraw/zinc/14/15/24/1075141524.db2.gz LAXHSPMDKIDFPI-KGLIPLIRSA-N 1 1 381.477 -1.314 20 0 GAADMO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001346200282 1075141521 /nfs/dbraw/zinc/14/15/21/1075141521.db2.gz LAXHSPMDKIDFPI-UONOGXRCSA-N 1 1 381.477 -1.314 20 0 GAADMO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001346200283 1075141438 /nfs/dbraw/zinc/14/14/38/1075141438.db2.gz LAXHSPMDKIDFPI-ZIAGYGMSSA-N 1 1 381.477 -1.314 20 0 GAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001346200348 1075141420 /nfs/dbraw/zinc/14/14/20/1075141420.db2.gz NCWNNXLNIGUJNS-KBPBESRZSA-N 1 1 377.445 -1.806 20 0 GAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001346200349 1075141445 /nfs/dbraw/zinc/14/14/45/1075141445.db2.gz NCWNNXLNIGUJNS-KGLIPLIRSA-N 1 1 377.445 -1.806 20 0 GAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001346200350 1075141464 /nfs/dbraw/zinc/14/14/64/1075141464.db2.gz NCWNNXLNIGUJNS-UONOGXRCSA-N 1 1 377.445 -1.806 20 0 GAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001346200351 1075141511 /nfs/dbraw/zinc/14/15/11/1075141511.db2.gz NCWNNXLNIGUJNS-ZIAGYGMSSA-N 1 1 377.445 -1.806 20 0 GAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC001346200590 1075141457 /nfs/dbraw/zinc/14/14/57/1075141457.db2.gz NWVHHBXNTMQFQN-UHFFFAOYSA-N 1 1 393.488 -1.264 20 0 GAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCNC(=O)N(C)C)CC1 ZINC001346200976 1075141491 /nfs/dbraw/zinc/14/14/91/1075141491.db2.gz UEJJXQRFKCCMNE-UHFFFAOYSA-N 1 1 384.481 -1.615 20 0 GAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCO[C@H]2CCOC2)CC1 ZINC001346201231 1075141825 /nfs/dbraw/zinc/14/18/25/1075141825.db2.gz WLASZIGODGXOLL-HNNXBMFYSA-N 1 1 384.477 -1.033 20 0 GAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCO[C@@H]2CCOC2)CC1 ZINC001346201232 1075141812 /nfs/dbraw/zinc/14/18/12/1075141812.db2.gz WLASZIGODGXOLL-OAHLLOKOSA-N 1 1 384.477 -1.033 20 0 GAADMO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001346212798 1075141804 /nfs/dbraw/zinc/14/18/04/1075141804.db2.gz SQLCUKIOPVJJTC-UHFFFAOYSA-N 1 1 389.482 -1.949 20 0 GAADMO C[C@H](CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C[NH+]1CCOCC1 ZINC001346223204 1075142092 /nfs/dbraw/zinc/14/20/92/1075142092.db2.gz KKQUXKKWHYHERG-GFCCVEGCSA-N 1 1 378.495 -1.485 20 0 GAADMO C[C@@H](CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C[NH+]1CCOCC1 ZINC001346223205 1075142099 /nfs/dbraw/zinc/14/20/99/1075142099.db2.gz KKQUXKKWHYHERG-LBPRGKRZSA-N 1 1 378.495 -1.485 20 0 GAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC(=O)N3CCOCC3)CC2)C1 ZINC001346240057 1075142128 /nfs/dbraw/zinc/14/21/28/1075142128.db2.gz NNJFNOBNCUJBFE-HNNXBMFYSA-N 1 1 381.477 -1.800 20 0 GAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC(=O)N3CCOCC3)CC2)C1 ZINC001346240326 1075142139 /nfs/dbraw/zinc/14/21/39/1075142139.db2.gz NNJFNOBNCUJBFE-OAHLLOKOSA-N 1 1 381.477 -1.800 20 0 GAADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001346240996 1075142122 /nfs/dbraw/zinc/14/21/22/1075142122.db2.gz RLDKOWLVLDVTLW-CQSZACIVSA-N 1 1 382.461 -1.327 20 0 GAADMO CNS(=O)(=O)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001346253928 1075142676 /nfs/dbraw/zinc/14/26/76/1075142676.db2.gz JLZDUHOKKUPLCC-UHFFFAOYSA-N 1 1 378.495 -1.531 20 0 GAADMO CNS(=O)(=O)CCNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001346254209 1075142810 /nfs/dbraw/zinc/14/28/10/1075142810.db2.gz MGGTZLNUFVCZKO-UHFFFAOYSA-N 1 1 398.489 -1.156 20 0 GAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001346275205 1075144249 /nfs/dbraw/zinc/14/42/49/1075144249.db2.gz BMGOMTLSRHPWPB-CABCVRRESA-N 1 1 393.488 -1.122 20 0 GAADMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001346275206 1075144197 /nfs/dbraw/zinc/14/41/97/1075144197.db2.gz BMGOMTLSRHPWPB-GJZGRUSLSA-N 1 1 393.488 -1.122 20 0 GAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001346275207 1075144201 /nfs/dbraw/zinc/14/42/01/1075144201.db2.gz BMGOMTLSRHPWPB-HUUCEWRRSA-N 1 1 393.488 -1.122 20 0 GAADMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001346275208 1075144207 /nfs/dbraw/zinc/14/42/07/1075144207.db2.gz BMGOMTLSRHPWPB-LSDHHAIUSA-N 1 1 393.488 -1.122 20 0 GAADMO COCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCS(=O)(=O)C1 ZINC001346278424 1075144569 /nfs/dbraw/zinc/14/45/69/1075144569.db2.gz UZZSOVLEZNCAPM-KBPBESRZSA-N 1 1 390.506 -1.990 20 0 GAADMO COCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC001346278425 1075144507 /nfs/dbraw/zinc/14/45/07/1075144507.db2.gz UZZSOVLEZNCAPM-KGLIPLIRSA-N 1 1 390.506 -1.990 20 0 GAADMO COCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCS(=O)(=O)C1 ZINC001346278426 1075144522 /nfs/dbraw/zinc/14/45/22/1075144522.db2.gz UZZSOVLEZNCAPM-UONOGXRCSA-N 1 1 390.506 -1.990 20 0 GAADMO COCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC001346278427 1075144542 /nfs/dbraw/zinc/14/45/42/1075144542.db2.gz UZZSOVLEZNCAPM-ZIAGYGMSSA-N 1 1 390.506 -1.990 20 0 GAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001346278431 1075144556 /nfs/dbraw/zinc/14/45/56/1075144556.db2.gz VCQIHTLKBPXJHW-CHWSQXEVSA-N 1 1 375.495 -2.111 20 0 GAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001346278432 1075144603 /nfs/dbraw/zinc/14/46/03/1075144603.db2.gz VCQIHTLKBPXJHW-OLZOCXBDSA-N 1 1 375.495 -2.111 20 0 GAADMO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001346305287 1075145759 /nfs/dbraw/zinc/14/57/59/1075145759.db2.gz FOJGOFNGCWIOFE-CQSZACIVSA-N 1 1 398.485 -1.063 20 0 GAADMO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001346305287 1075145755 /nfs/dbraw/zinc/14/57/55/1075145755.db2.gz FOJGOFNGCWIOFE-CQSZACIVSA-N 1 1 398.485 -1.063 20 0 GAADMO COCCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC001346309357 1075145713 /nfs/dbraw/zinc/14/57/13/1075145713.db2.gz XDQDXBIKVMUDRP-HNNXBMFYSA-N 1 1 395.504 -1.412 20 0 GAADMO COCCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC001346309357 1075145712 /nfs/dbraw/zinc/14/57/12/1075145712.db2.gz XDQDXBIKVMUDRP-HNNXBMFYSA-N 1 1 395.504 -1.412 20 0 GAADMO 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Cc1nn(C)c(=O)c(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)c1C ZINC001577589092 1075304900 /nfs/dbraw/zinc/30/49/00/1075304900.db2.gz BSTVXGNHEIFUPR-TXEJJXNPSA-N 1 1 388.432 -1.318 20 0 GAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)c1C ZINC001577589539 1075304855 /nfs/dbraw/zinc/30/48/55/1075304855.db2.gz JGTFMCXOGCBDPK-CABZTGNLSA-N 1 1 390.448 -1.072 20 0 GAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)c1C ZINC001577589543 1075304924 /nfs/dbraw/zinc/30/49/24/1075304924.db2.gz JGTFMCXOGCBDPK-JOYOIKCWSA-N 1 1 390.448 -1.072 20 0 GAADMO Cc1nn(C)c(=O)c(C(=O)NCCC[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)c1C ZINC001577589695 1075304815 /nfs/dbraw/zinc/30/48/15/1075304815.db2.gz LLWUUZRDNKTSJX-GFCCVEGCSA-N 1 1 390.448 -1.070 20 0 GAADMO Cc1nn(C)c(=O)c(C(=O)NCCC[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)c1C ZINC001577589696 1075304797 /nfs/dbraw/zinc/30/47/97/1075304797.db2.gz LLWUUZRDNKTSJX-LBPRGKRZSA-N 1 1 390.448 -1.070 20 0 GAADMO Cc1nn(C)c(=O)c(C(=O)NCC[C@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)c1C ZINC001577589737 1075304834 /nfs/dbraw/zinc/30/48/34/1075304834.db2.gz MFEJYQAUWFPIHU-JTQLQIEISA-N 1 1 390.448 -1.070 20 0 GAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001577590031 1075305270 /nfs/dbraw/zinc/30/52/70/1075305270.db2.gz PSCMRQQQDARZOA-GWCFXTLKSA-N 1 1 378.437 -1.460 20 0 GAADMO Cc1nn(C)c(C)c1C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001577590032 1075305288 /nfs/dbraw/zinc/30/52/88/1075305288.db2.gz PSCMRQQQDARZOA-GXFFZTMASA-N 1 1 378.437 -1.460 20 0 GAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NCc1c[nH]nn1 ZINC001577590033 1075305300 /nfs/dbraw/zinc/30/53/00/1075305300.db2.gz PSCMRQQQDARZOA-MFKMUULPSA-N 1 1 378.437 -1.460 20 0 GAADMO Cc1nn(C)c(C)c1C(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NCc1c[nH]nn1 ZINC001577590034 1075305216 /nfs/dbraw/zinc/30/52/16/1075305216.db2.gz PSCMRQQQDARZOA-ZWNOBZJWSA-N 1 1 378.437 -1.460 20 0 GAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)c1C ZINC001577590048 1075305206 /nfs/dbraw/zinc/30/52/06/1075305206.db2.gz QBVVKLKPITWWFX-SECBINFHSA-N 1 1 376.421 -1.460 20 0 GAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)c1C ZINC001577590049 1075305245 /nfs/dbraw/zinc/30/52/45/1075305245.db2.gz QBVVKLKPITWWFX-VIFPVBQESA-N 1 1 376.421 -1.460 20 0 GAADMO Cc1nn(C(C)C)cc1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577590628 1075305261 /nfs/dbraw/zinc/30/52/61/1075305261.db2.gz ZVRZEFOKIHTFNA-CYBMUJFWSA-N 1 1 378.437 -1.113 20 0 GAADMO Cc1nn(C(C)C)cc1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577590629 1075305157 /nfs/dbraw/zinc/30/51/57/1075305157.db2.gz ZVRZEFOKIHTFNA-ZDUSSCGKSA-N 1 1 378.437 -1.113 20 0 GAADMO Cc1nn(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599624 1075306186 /nfs/dbraw/zinc/30/61/86/1075306186.db2.gz KAOWLPQUGAUWRX-LLVKDONJSA-N 1 1 381.397 -3.609 20 0 GAADMO Cc1nn(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599625 1075306200 /nfs/dbraw/zinc/30/62/00/1075306200.db2.gz KAOWLPQUGAUWRX-NSHDSACASA-N 1 1 381.397 -3.609 20 0 GAADMO Cc1nnc(CC(=O)N2CCC[C@](CO)([NH2+]CC(=O)NCc3c[nH]nn3)C2)o1 ZINC001577599678 1075306294 /nfs/dbraw/zinc/30/62/94/1075306294.db2.gz LUZRJKXVHVYREQ-INIZCTEOSA-N 1 1 392.420 -1.702 20 0 GAADMO Cc1nnc(CC(=O)N2CCC[C@@](CO)([NH2+]CC(=O)NCc3c[nH]nn3)C2)o1 ZINC001577599679 1075306243 /nfs/dbraw/zinc/30/62/43/1075306243.db2.gz LUZRJKXVHVYREQ-MRXNPFEDSA-N 1 1 392.420 -1.702 20 0 GAADMO Cc1nn(CC(=O)N2C[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)[C@@H](C)C2)c(=O)n1C ZINC001577599801 1075306213 /nfs/dbraw/zinc/30/62/13/1075306213.db2.gz MDIWHOGRJGXUQL-GWCFXTLKSA-N 1 1 391.436 -2.239 20 0 GAADMO Cc1nn(CC(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599802 1075306555 /nfs/dbraw/zinc/30/65/55/1075306555.db2.gz MDIWHOGRJGXUQL-GXFFZTMASA-N 1 1 391.436 -2.239 20 0 GAADMO Cc1nn(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599803 1075306608 /nfs/dbraw/zinc/30/66/08/1075306608.db2.gz MDIWHOGRJGXUQL-MFKMUULPSA-N 1 1 391.436 -2.239 20 0 GAADMO Cc1nn(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599804 1075306560 /nfs/dbraw/zinc/30/65/60/1075306560.db2.gz MDIWHOGRJGXUQL-ZWNOBZJWSA-N 1 1 391.436 -2.239 20 0 GAADMO Cc1nn(CC(=O)N[C@@]2(CO)CCC[N@@H+](CCc3cn[nH]n3)C2)c(=O)n1C ZINC001577600015 1075306719 /nfs/dbraw/zinc/30/67/19/1075306719.db2.gz OTVPKAUJRJQPIP-INIZCTEOSA-N 1 1 378.437 -1.806 20 0 GAADMO Cc1nn(CC(=O)N[C@@]2(CO)CCC[N@H+](CCc3cn[nH]n3)C2)c(=O)n1C ZINC001577600015 1075306713 /nfs/dbraw/zinc/30/67/13/1075306713.db2.gz OTVPKAUJRJQPIP-INIZCTEOSA-N 1 1 378.437 -1.806 20 0 GAADMO Cc1nn(CC(=O)N[C@@]2(CO)CCC[N@@H+](CCc3c[nH]nn3)C2)c(=O)n1C ZINC001577600015 1075306708 /nfs/dbraw/zinc/30/67/08/1075306708.db2.gz OTVPKAUJRJQPIP-INIZCTEOSA-N 1 1 378.437 -1.806 20 0 GAADMO Cc1nn(CC(=O)N[C@]2(CO)CCC[N@@H+](CCc3cn[nH]n3)C2)c(=O)n1C ZINC001577600016 1075306689 /nfs/dbraw/zinc/30/66/89/1075306689.db2.gz OTVPKAUJRJQPIP-MRXNPFEDSA-N 1 1 378.437 -1.806 20 0 GAADMO Cc1nn(CC(=O)N[C@]2(CO)CCC[N@H+](CCc3cn[nH]n3)C2)c(=O)n1C ZINC001577600016 1075306686 /nfs/dbraw/zinc/30/66/86/1075306686.db2.gz OTVPKAUJRJQPIP-MRXNPFEDSA-N 1 1 378.437 -1.806 20 0 GAADMO Cc1nn(CC(=O)N[C@]2(CO)CCC[N@@H+](CCc3c[nH]nn3)C2)c(=O)n1C ZINC001577600016 1075306681 /nfs/dbraw/zinc/30/66/81/1075306681.db2.gz OTVPKAUJRJQPIP-MRXNPFEDSA-N 1 1 378.437 -1.806 20 0 GAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)o1 ZINC001577600146 1075306613 /nfs/dbraw/zinc/30/66/13/1075306613.db2.gz QCALKUPRIDWVCY-BXKDBHETSA-N 1 1 380.409 -1.848 20 0 GAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)o1 ZINC001577600147 1075306623 /nfs/dbraw/zinc/30/66/23/1075306623.db2.gz QCALKUPRIDWVCY-CABZTGNLSA-N 1 1 380.409 -1.848 20 0 GAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)o1 ZINC001577600148 1075306565 /nfs/dbraw/zinc/30/65/65/1075306565.db2.gz QCALKUPRIDWVCY-JOYOIKCWSA-N 1 1 380.409 -1.848 20 0 GAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)o1 ZINC001577600149 1075306747 /nfs/dbraw/zinc/30/67/47/1075306747.db2.gz QCALKUPRIDWVCY-SKDRFNHKSA-N 1 1 380.409 -1.848 20 0 GAADMO Cc1nn(CC(=O)NCC2CC([NH2+]CC(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577600339 1075306632 /nfs/dbraw/zinc/30/66/32/1075306632.db2.gz UBGLWKAGIWEGFG-UHFFFAOYSA-N 1 1 391.436 -2.191 20 0 GAADMO Cc1nn(CC(=O)NCCC[NH+]2CCN(Cc3cn[nH]n3)CC2)c(=O)n1C ZINC001577600777 1075306591 /nfs/dbraw/zinc/30/65/91/1075306591.db2.gz ZXCLOLWAZSNMGH-UHFFFAOYSA-N 1 1 377.453 -1.668 20 0 GAADMO Cc1nnc2n1C[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1c[nH]nn1)CC2 ZINC001577605358 1075307079 /nfs/dbraw/zinc/30/70/79/1075307079.db2.gz XOGBDLMJYQJPGW-CMPLNLGQSA-N 1 1 375.437 -1.322 20 0 GAADMO Cc1nnc2n1C[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1c[nH]nn1)CC2 ZINC001577605359 1075307111 /nfs/dbraw/zinc/30/71/11/1075307111.db2.gz XOGBDLMJYQJPGW-JQWIXIFHSA-N 1 1 375.437 -1.322 20 0 GAADMO Cc1nnc2n1C[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCc1c[nH]nn1)CC2 ZINC001577605360 1075307198 /nfs/dbraw/zinc/30/71/98/1075307198.db2.gz XOGBDLMJYQJPGW-PWSUYJOCSA-N 1 1 375.437 -1.322 20 0 GAADMO Cc1nnc2n1C[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCc1c[nH]nn1)CC2 ZINC001577605361 1075307062 /nfs/dbraw/zinc/30/70/62/1075307062.db2.gz XOGBDLMJYQJPGW-ZYHUDNBSSA-N 1 1 375.437 -1.322 20 0 GAADMO Cc1nnsc1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001577607214 1075307125 /nfs/dbraw/zinc/30/71/25/1075307125.db2.gz JDXARNYIHOMIMA-LLVKDONJSA-N 1 1 380.434 -1.288 20 0 GAADMO Cc1nnsc1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001577607215 1075307207 /nfs/dbraw/zinc/30/72/07/1075307207.db2.gz JDXARNYIHOMIMA-NSHDSACASA-N 1 1 380.434 -1.288 20 0 GAADMO Cc1nonc1C(=O)NCCN1CCC([NH2+]CC(=O)NCc2c[nH]nn2)CC1 ZINC001577625524 1075308147 /nfs/dbraw/zinc/30/81/47/1075308147.db2.gz MMDYPVMMQBWZGD-UHFFFAOYSA-N 1 1 391.436 -1.404 20 0 GAADMO Cc1occc(=O)c1OCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCc2c[nH]nn2)C1 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Cn1c(=O)ccn(CC(=O)N[C@]2(CO)CCC[N@@H+](CCc3c[nH]nn3)C2)c1=O ZINC001577644527 1075309650 /nfs/dbraw/zinc/30/96/50/1075309650.db2.gz UHVWEWYOBZBQTM-QGZVFWFLSA-N 1 1 391.432 -2.149 20 0 GAADMO Cn1c(=O)ccn(CC(=O)N2CCC3(C[NH+](CCc4cn[nH]n4)C3)CC2)c1=O ZINC001577644686 1075309627 /nfs/dbraw/zinc/30/96/27/1075309627.db2.gz ZJIDCMOPVPXQGM-UHFFFAOYSA-N 1 1 387.444 -1.168 20 0 GAADMO Cn1cc(C(=O)N2CC[C@@]3(CC[N@@H+](CCc4c[nH]nn4)C3)C2)c(=O)n(C)c1=O ZINC001577647127 1075309688 /nfs/dbraw/zinc/30/96/88/1075309688.db2.gz KGOOJMJDWGIPGI-GOSISDBHSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CC[C@@]3(CC[N@H+](CCc4c[nH]nn4)C3)C2)c(=O)n(C)c1=O ZINC001577647127 1075309687 /nfs/dbraw/zinc/30/96/87/1075309687.db2.gz KGOOJMJDWGIPGI-GOSISDBHSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CC[C@@]3(CC[N@@H+](CCc4cn[nH]n4)C3)C2)c(=O)n(C)c1=O ZINC001577647127 1075309685 /nfs/dbraw/zinc/30/96/85/1075309685.db2.gz KGOOJMJDWGIPGI-GOSISDBHSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CC[C@]3(CC[N@@H+](CCc4c[nH]nn4)C3)C2)c(=O)n(C)c1=O ZINC001577647128 1075310026 /nfs/dbraw/zinc/31/00/26/1075310026.db2.gz KGOOJMJDWGIPGI-SFHVURJKSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CC[C@]3(CC[N@H+](CCc4c[nH]nn4)C3)C2)c(=O)n(C)c1=O ZINC001577647128 1075310020 /nfs/dbraw/zinc/31/00/20/1075310020.db2.gz KGOOJMJDWGIPGI-SFHVURJKSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CC[C@]3(CC[N@@H+](CCc4cn[nH]n4)C3)C2)c(=O)n(C)c1=O ZINC001577647128 1075310014 /nfs/dbraw/zinc/31/00/14/1075310014.db2.gz KGOOJMJDWGIPGI-SFHVURJKSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn[nH]3)C2)c(=O)n(C)c1=O ZINC001577647257 1075309992 /nfs/dbraw/zinc/30/99/92/1075309992.db2.gz LKZSZSSGZAFYIO-GFCCVEGCSA-N 1 1 377.405 -1.777 20 0 GAADMO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn[nH]3)C2)c(=O)n(C)c1=O ZINC001577647263 1075309888 /nfs/dbraw/zinc/30/98/88/1075309888.db2.gz LKZSZSSGZAFYIO-LBPRGKRZSA-N 1 1 377.405 -1.777 20 0 GAADMO Cn1cc(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCc3c[nH]nn3)C2)n(C)c1=O ZINC001577647305 1075309878 /nfs/dbraw/zinc/30/98/78/1075309878.db2.gz MIRDWCRYMNTKTE-GFCCVEGCSA-N 1 1 390.448 -1.400 20 0 GAADMO Cn1cc(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCc3c[nH]nn3)C2)n(C)c1=O ZINC001577647306 1075309975 /nfs/dbraw/zinc/30/99/75/1075309975.db2.gz MIRDWCRYMNTKTE-LBPRGKRZSA-N 1 1 390.448 -1.400 20 0 GAADMO Cn1cc(C(=O)N2CC3(C2)CCC[N@@H+](CCc2cn[nH]n2)C3)c(=O)n(C)c1=O ZINC001577647325 1075310145 /nfs/dbraw/zinc/31/01/45/1075310145.db2.gz MQRZFDCMUDRXJB-UHFFFAOYSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CC3(C2)CCC[N@H+](CCc2cn[nH]n2)C3)c(=O)n(C)c1=O ZINC001577647325 1075310140 /nfs/dbraw/zinc/31/01/40/1075310140.db2.gz MQRZFDCMUDRXJB-UHFFFAOYSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CC3(C2)CCC[N@@H+](CCc2c[nH]nn2)C3)c(=O)n(C)c1=O ZINC001577647325 1075310137 /nfs/dbraw/zinc/31/01/37/1075310137.db2.gz MQRZFDCMUDRXJB-UHFFFAOYSA-N 1 1 387.444 -1.017 20 0 GAADMO Cn1cc(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577647506 1075310066 /nfs/dbraw/zinc/31/00/66/1075310066.db2.gz PGGPWROFHNBNLE-GFCCVEGCSA-N 1 1 377.409 -1.930 20 0 GAADMO Cn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577647507 1075310102 /nfs/dbraw/zinc/31/01/02/1075310102.db2.gz PGGPWROFHNBNLE-LBPRGKRZSA-N 1 1 377.409 -1.930 20 0 GAADMO Cn1cc(C(=O)N2CCC[C@](CO)([NH2+]CC(=O)NCc3c[nH]nn3)C2)cn1 ZINC001577647528 1075310111 /nfs/dbraw/zinc/31/01/11/1075310111.db2.gz PVAZXENKVPHQLT-INIZCTEOSA-N 1 1 376.421 -1.589 20 0 GAADMO Cn1cc(C(=O)N2CCC[C@@](CO)([NH2+]CC(=O)NCc3c[nH]nn3)C2)cn1 ZINC001577647529 1075309925 /nfs/dbraw/zinc/30/99/25/1075309925.db2.gz PVAZXENKVPHQLT-MRXNPFEDSA-N 1 1 376.421 -1.589 20 0 GAADMO Cn1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)n(C)c1=O ZINC001577647655 1075310092 /nfs/dbraw/zinc/31/00/92/1075310092.db2.gz QXQREQUVJVCRSP-NSHDSACASA-N 1 1 376.421 -1.648 20 0 GAADMO Cn1cc(C(=O)N[C@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C2CC2)c(=O)[nH]c1=O ZINC001577650314 1075310511 /nfs/dbraw/zinc/31/05/11/1075310511.db2.gz DQGMIQDHOZLSCJ-GFCCVEGCSA-N 1 1 390.404 -1.982 20 0 GAADMO Cn1cc(C(=O)N[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C2CC2)c(=O)[nH]c1=O ZINC001577650315 1075310344 /nfs/dbraw/zinc/31/03/44/1075310344.db2.gz DQGMIQDHOZLSCJ-LBPRGKRZSA-N 1 1 390.404 -1.982 20 0 GAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)ccc1=O ZINC001577650322 1075310932 /nfs/dbraw/zinc/31/09/32/1075310932.db2.gz DUXHWBFJTYTJIS-QKDCVEJESA-N 1 1 385.428 -1.273 20 0 GAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)ccc1=O ZINC001577650322 1075310928 /nfs/dbraw/zinc/31/09/28/1075310928.db2.gz DUXHWBFJTYTJIS-QKDCVEJESA-N 1 1 385.428 -1.273 20 0 GAADMO Cn1cc(C(=O)N[C@@](C)(C[NH2+]CCc2c[nH]nn2)C2CC2)c(=O)n(C)c1=O ZINC001577650453 1075310785 /nfs/dbraw/zinc/31/07/85/1075310785.db2.gz JFOBIHHVPUWQAM-KRWDZBQOSA-N 1 1 375.433 -1.067 20 0 GAADMO Cn1cc(C(=O)N[C@](C)(C[NH2+]CCc2c[nH]nn2)C2CC2)c(=O)n(C)c1=O ZINC001577650454 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Cn1cnn(CC(=O)NCc2nc(C[NH2+]CCc3c[nH]nn3)cc(=O)[nH]2)c1=O ZINC001577678629 1075318077 /nfs/dbraw/zinc/31/80/77/1075318077.db2.gz YZYCKMDVSYLCRZ-UHFFFAOYSA-N 1 1 388.392 -2.156 20 0 GAADMO Cn1nc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)ccc1=O ZINC001577680076 1075318495 /nfs/dbraw/zinc/31/84/95/1075318495.db2.gz BITPCPBTAVRUKW-XYYAHUGASA-N 1 1 386.416 -1.878 20 0 GAADMO Cn1nc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)ccc1=O ZINC001577680076 1075318493 /nfs/dbraw/zinc/31/84/93/1075318493.db2.gz BITPCPBTAVRUKW-XYYAHUGASA-N 1 1 386.416 -1.878 20 0 GAADMO Cn1nc(C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCc2c[nH]nn2)ccc1=O ZINC001577680114 1075318430 /nfs/dbraw/zinc/31/84/30/1075318430.db2.gz CWZRHPQDMXCBAF-CYBMUJFWSA-N 1 1 388.432 -1.201 20 0 GAADMO Cn1cnnc1COCC(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001577680164 1075318392 /nfs/dbraw/zinc/31/83/92/1075318392.db2.gz FQSPRRBXFDJRTI-UHFFFAOYSA-N 1 1 377.453 -1.226 20 0 GAADMO Cn1nc(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCc3c[nH]nn3)C2)ccc1=O ZINC001577680656 1075318533 /nfs/dbraw/zinc/31/85/33/1075318533.db2.gz SVILTPHHMNPWMO-GFCCVEGCSA-N 1 1 388.432 -1.343 20 0 GAADMO Cn1nc(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCc3c[nH]nn3)C2)ccc1=O ZINC001577680657 1075318527 /nfs/dbraw/zinc/31/85/27/1075318527.db2.gz SVILTPHHMNPWMO-LBPRGKRZSA-N 1 1 388.432 -1.343 20 0 GAADMO Cn1cnnc1COCC(=O)N1CCC[C@H]([N@@H+](CCO)CCc2cn[nH]n2)C1 ZINC001577680681 1075318961 /nfs/dbraw/zinc/31/89/61/1075318961.db2.gz UJXINTVKIADWBI-HNNXBMFYSA-N 1 1 392.464 -1.022 20 0 GAADMO Cn1cnnc1COCC(=O)N1CCC[C@H]([N@H+](CCO)CCc2cn[nH]n2)C1 ZINC001577680681 1075318957 /nfs/dbraw/zinc/31/89/57/1075318957.db2.gz UJXINTVKIADWBI-HNNXBMFYSA-N 1 1 392.464 -1.022 20 0 GAADMO Cn1cnnc1COCC(=O)N1CCC[C@H]([N@@H+](CCO)CCc2c[nH]nn2)C1 ZINC001577680681 1075318954 /nfs/dbraw/zinc/31/89/54/1075318954.db2.gz UJXINTVKIADWBI-HNNXBMFYSA-N 1 1 392.464 -1.022 20 0 GAADMO Cn1cnnc1COCC(=O)N1CCC[C@@H]([N@@H+](CCO)CCc2cn[nH]n2)C1 ZINC001577680682 1075319072 /nfs/dbraw/zinc/31/90/72/1075319072.db2.gz UJXINTVKIADWBI-OAHLLOKOSA-N 1 1 392.464 -1.022 20 0 GAADMO Cn1cnnc1COCC(=O)N1CCC[C@@H]([N@H+](CCO)CCc2cn[nH]n2)C1 ZINC001577680682 1075319069 /nfs/dbraw/zinc/31/90/69/1075319069.db2.gz UJXINTVKIADWBI-OAHLLOKOSA-N 1 1 392.464 -1.022 20 0 GAADMO Cn1cnnc1COCC(=O)N1CCC[C@@H]([N@@H+](CCO)CCc2c[nH]nn2)C1 ZINC001577680682 1075319066 /nfs/dbraw/zinc/31/90/66/1075319066.db2.gz UJXINTVKIADWBI-OAHLLOKOSA-N 1 1 392.464 -1.022 20 0 GAADMO Cn1nc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc2c[nH]nn2)c2c1CCCC2 ZINC001577680919 1075318890 /nfs/dbraw/zinc/31/88/90/1075318890.db2.gz YDOFMRZVVHDMGW-GFCCVEGCSA-N 1 1 390.448 -1.586 20 0 GAADMO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc2c[nH]nn2)c2c1CCCC2 ZINC001577680920 1075319003 /nfs/dbraw/zinc/31/90/03/1075319003.db2.gz YDOFMRZVVHDMGW-LBPRGKRZSA-N 1 1 390.448 -1.586 20 0 GAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577681711 1075319056 /nfs/dbraw/zinc/31/90/56/1075319056.db2.gz FNNACGHJOIFGHP-INIZCTEOSA-N 1 1 376.421 -1.112 20 0 GAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577681711 1075319053 /nfs/dbraw/zinc/31/90/53/1075319053.db2.gz FNNACGHJOIFGHP-INIZCTEOSA-N 1 1 376.421 -1.112 20 0 GAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577681712 1075319023 /nfs/dbraw/zinc/31/90/23/1075319023.db2.gz FNNACGHJOIFGHP-MRXNPFEDSA-N 1 1 376.421 -1.112 20 0 GAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577681712 1075319018 /nfs/dbraw/zinc/31/90/18/1075319018.db2.gz FNNACGHJOIFGHP-MRXNPFEDSA-N 1 1 376.421 -1.112 20 0 GAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001577682170 1075319488 /nfs/dbraw/zinc/31/94/88/1075319488.db2.gz XPHAUILFMUCSDM-INIZCTEOSA-N 1 1 376.421 -1.112 20 0 GAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001577682170 1075319484 /nfs/dbraw/zinc/31/94/84/1075319484.db2.gz XPHAUILFMUCSDM-INIZCTEOSA-N 1 1 376.421 -1.112 20 0 GAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001577682171 1075319513 /nfs/dbraw/zinc/31/95/13/1075319513.db2.gz XPHAUILFMUCSDM-MRXNPFEDSA-N 1 1 376.421 -1.112 20 0 GAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001577682171 1075319508 /nfs/dbraw/zinc/31/95/08/1075319508.db2.gz XPHAUILFMUCSDM-MRXNPFEDSA-N 1 1 376.421 -1.112 20 0 GAADMO Cn1nc2c(c1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1)CCC2 ZINC001577683486 1075319943 /nfs/dbraw/zinc/31/99/43/1075319943.db2.gz QHJCNXNVQLFEHT-LLVKDONJSA-N 1 1 376.421 -1.976 20 0 GAADMO Cn1nc2c(c1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1)CCC2 ZINC001577683487 1075319986 /nfs/dbraw/zinc/31/99/86/1075319986.db2.gz QHJCNXNVQLFEHT-NSHDSACASA-N 1 1 376.421 -1.976 20 0 GAADMO Cn1ncc(C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCc3c[nH]nn3)C2)c1N ZINC001577683505 1075320045 /nfs/dbraw/zinc/32/00/45/1075320045.db2.gz QXJTVVRQFNFCFR-GFCCVEGCSA-N 1 1 389.464 -1.079 20 0 GAADMO Cn1ncc(C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCc3c[nH]nn3)C2)c1N ZINC001577683506 1075320063 /nfs/dbraw/zinc/32/00/63/1075320063.db2.gz QXJTVVRQFNFCFR-LBPRGKRZSA-N 1 1 389.464 -1.079 20 0 GAADMO Cn1ncc(C(=O)N[C@@](C)(C[NH2+]CC(=O)NCc2c[nH]nn2)C2CC2)c1N ZINC001577686242 1075320446 /nfs/dbraw/zinc/32/04/46/1075320446.db2.gz NNKBSPLNDAJKST-INIZCTEOSA-N 1 1 375.437 -1.075 20 0 GAADMO Cn1ncc(C(=O)N[C@](C)(C[NH2+]CC(=O)NCc2c[nH]nn2)C2CC2)c1N ZINC001577686243 1075320542 /nfs/dbraw/zinc/32/05/42/1075320542.db2.gz NNKBSPLNDAJKST-MRXNPFEDSA-N 1 1 375.437 -1.075 20 0 GAADMO Cn1nccc1C(=O)NCC1([NH2+]CC(=O)NCc2c[nH]nn2)CCOCC1 ZINC001577688790 1075320875 /nfs/dbraw/zinc/32/08/75/1075320875.db2.gz HPPGBRSRNQRYEX-UHFFFAOYSA-N 1 1 376.421 -1.277 20 0 GAADMO Cn1nccc1COCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001577691392 1075321325 /nfs/dbraw/zinc/32/13/25/1075321325.db2.gz JYJRCPQGAJYJKM-TXEJJXNPSA-N 1 1 376.421 -1.392 20 0 GAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)[C@@H](O)C1 ZINC001577691793 1075321670 /nfs/dbraw/zinc/32/16/70/1075321670.db2.gz UMEWDTRBMYUMED-IKGGRYGDSA-N 1 1 388.476 -1.093 20 0 GAADMO Cn1nnc2c1C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C1)CC2 ZINC001577693586 1075321690 /nfs/dbraw/zinc/32/16/90/1075321690.db2.gz DDPHBUDPILNCSL-IJLUTSLNSA-N 1 1 387.448 -1.409 20 0 GAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C1)CC2 ZINC001577693587 1075321654 /nfs/dbraw/zinc/32/16/54/1075321654.db2.gz DDPHBUDPILNCSL-SDDRHHMPSA-N 1 1 387.448 -1.409 20 0 GAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C1)CC2 ZINC001577693588 1075321761 /nfs/dbraw/zinc/32/17/61/1075321761.db2.gz DDPHBUDPILNCSL-SRVKXCTJSA-N 1 1 387.448 -1.409 20 0 GAADMO Cn1nnc2c1C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C1)CC2 ZINC001577693589 1075321731 /nfs/dbraw/zinc/32/17/31/1075321731.db2.gz DDPHBUDPILNCSL-UTUOFQBUSA-N 1 1 387.448 -1.409 20 0 GAADMO Cn1nnc(C(=O)NCCC2CC[NH+](CC(=O)NCc3c[nH]nn3)CC2)n1 ZINC001577693637 1075322150 /nfs/dbraw/zinc/32/21/50/1075322150.db2.gz FCCHKCULXXBVSH-UHFFFAOYSA-N 1 1 376.425 -1.524 20 0 GAADMO Cn1nnc(C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCc4c[nH]nn4)nn3)C2)n1 ZINC001577693901 1075322666 /nfs/dbraw/zinc/32/26/66/1075322666.db2.gz MJRCAJBWUMLTAL-CYBMUJFWSA-N 1 1 386.424 -1.271 20 0 GAADMO Cn1nnc(C(=O)N2CCC[C@H](n3cc(C[NH2+]CCc4c[nH]nn4)nn3)C2)n1 ZINC001577693902 1075322479 /nfs/dbraw/zinc/32/24/79/1075322479.db2.gz MJRCAJBWUMLTAL-ZDUSSCGKSA-N 1 1 386.424 -1.271 20 0 GAADMO Cn1nnc2cc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NCc4c[nH]nn4)C3)cnc21 ZINC001577693963 1075322622 /nfs/dbraw/zinc/32/26/22/1075322622.db2.gz NWUJFMJRMQOLPH-LLVKDONJSA-N 1 1 384.404 -1.398 20 0 GAADMO Cn1nnc2cc(C(=O)N3CC[C@H]([NH2+]CC(=O)NCc4c[nH]nn4)C3)cnc21 ZINC001577693964 1075322506 /nfs/dbraw/zinc/32/25/06/1075322506.db2.gz NWUJFMJRMQOLPH-NSHDSACASA-N 1 1 384.404 -1.398 20 0 GAADMO Cn1nnc(C(=O)NC2(C[NH2+]CC(=O)NCc3c[nH]nn3)CCCCC2)n1 ZINC001577693985 1075322613 /nfs/dbraw/zinc/32/26/13/1075322613.db2.gz OQCRJQCPLHVHOO-UHFFFAOYSA-N 1 1 376.425 -1.333 20 0 GAADMO Cn1nnc(C(=O)N2CCC([N@@H+](CCO)CC(=O)NCc3c[nH]nn3)CC2)n1 ZINC001577694016 1075322969 /nfs/dbraw/zinc/32/29/69/1075322969.db2.gz POUOZIBDTSKGSQ-UHFFFAOYSA-N 1 1 392.424 -2.457 20 0 GAADMO Cn1nnc(C(=O)N2CCC([N@H+](CCO)CC(=O)NCc3c[nH]nn3)CC2)n1 ZINC001577694016 1075322966 /nfs/dbraw/zinc/32/29/66/1075322966.db2.gz POUOZIBDTSKGSQ-UHFFFAOYSA-N 1 1 392.424 -2.457 20 0 GAADMO Cn1nnc(C(=O)N2CCC([N@@H+](CCO)CC(=O)NCc3cn[nH]n3)CC2)n1 ZINC001577694016 1075322961 /nfs/dbraw/zinc/32/29/61/1075322961.db2.gz POUOZIBDTSKGSQ-UHFFFAOYSA-N 1 1 392.424 -2.457 20 0 GAADMO Cn1nnc2cc(C(=O)N[C@H]3C[C@H]([NH2+]CC(=O)NCc4c[nH]nn4)C3)cnc21 ZINC001577694028 1075323050 /nfs/dbraw/zinc/32/30/50/1075323050.db2.gz QBQIEWWMOWBXGR-XYPYZODXSA-N 1 1 384.404 -1.352 20 0 GAADMO Cn1nnc2c1nccc2C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577694156 1075323519 /nfs/dbraw/zinc/32/35/19/1075323519.db2.gz VHWFTPQMRYNFKD-JTQLQIEISA-N 1 1 388.392 -2.522 20 0 GAADMO Cn1nnc2c1nccc2C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577694157 1075323455 /nfs/dbraw/zinc/32/34/55/1075323455.db2.gz VHWFTPQMRYNFKD-SNVBAGLBSA-N 1 1 388.392 -2.522 20 0 GAADMO Cn1nnc2cc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc3c[nH]nn3)ccc21 ZINC001577694214 1075323510 /nfs/dbraw/zinc/32/35/10/1075323510.db2.gz XSUWBBIQEWDEBA-GFCCVEGCSA-N 1 1 387.404 -1.917 20 0 GAADMO Cn1nnc2cc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc3c[nH]nn3)ccc21 ZINC001577694215 1075323357 /nfs/dbraw/zinc/32/33/57/1075323357.db2.gz XSUWBBIQEWDEBA-LBPRGKRZSA-N 1 1 387.404 -1.917 20 0 GAADMO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577696050 1075324185 /nfs/dbraw/zinc/32/41/85/1075324185.db2.gz FXZKMOJPHRDCHQ-HNNXBMFYSA-N 1 1 377.453 -1.588 20 0 GAADMO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577696051 1075324207 /nfs/dbraw/zinc/32/42/07/1075324207.db2.gz FXZKMOJPHRDCHQ-OAHLLOKOSA-N 1 1 377.453 -1.588 20 0 GAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CCOCc2cn[nH]n2)CCOCC1 ZINC001577696277 1075324271 /nfs/dbraw/zinc/32/42/71/1075324271.db2.gz NMYFREYHLGMRBV-UHFFFAOYSA-N 1 1 379.425 -1.310 20 0 GAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCOCc2cn[nH]n2)CCCO1 ZINC001577696294 1075324126 /nfs/dbraw/zinc/32/41/26/1075324126.db2.gz OBXHDHLEGUPHLH-CYBMUJFWSA-N 1 1 379.425 -1.358 20 0 GAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)CCOCc2cn[nH]n2)CCCO1 ZINC001577696295 1075324349 /nfs/dbraw/zinc/32/43/49/1075324349.db2.gz OBXHDHLEGUPHLH-ZDUSSCGKSA-N 1 1 379.425 -1.358 20 0 GAADMO Cn1nncc1C[NH2+]CC1(O)CCN(C(=O)CCOCc2c[nH]nn2)CC1 ZINC001577696423 1075324661 /nfs/dbraw/zinc/32/46/61/1075324661.db2.gz SDNAROIKUHPFQV-UHFFFAOYSA-N 1 1 378.437 -1.017 20 0 GAADMO Cn1nncc1C(=O)NCCN1CCC([NH2+]CC(=O)NCc2c[nH]nn2)CC1 ZINC001577696523 1075324703 /nfs/dbraw/zinc/32/47/03/1075324703.db2.gz VYRLIWQDONMOER-UHFFFAOYSA-N 1 1 390.452 -1.967 20 0 GAADMO NC(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCc2c[nH]nn2)CC1 ZINC001577721202 1075325523 /nfs/dbraw/zinc/32/55/23/1075325523.db2.gz BCQHMDDGEURWQK-OCCSQVGLSA-N 1 1 379.421 -2.108 20 0 GAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccc(-c3cn[nH]n3)nc2)CC1 ZINC001577721318 1075325441 /nfs/dbraw/zinc/32/54/41/1075325441.db2.gz GDIXMMGWWJCGGG-UHFFFAOYSA-N 1 1 386.416 -1.338 20 0 GAADMO NC(=O)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001577721745 1075326230 /nfs/dbraw/zinc/32/62/30/1075326230.db2.gz TZNIBSWEJKFOPT-HNNXBMFYSA-N 1 1 389.460 -1.049 20 0 GAADMO NC(=O)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001577721746 1075326204 /nfs/dbraw/zinc/32/62/04/1075326204.db2.gz TZNIBSWEJKFOPT-OAHLLOKOSA-N 1 1 389.460 -1.049 20 0 GAADMO NC(=O)C1(C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCc2c[nH]nn2)C3)CC1 ZINC001577723909 1075326629 /nfs/dbraw/zinc/32/66/29/1075326629.db2.gz BSYHBFYONOYDIO-UHFFFAOYSA-N 1 1 375.433 -1.297 20 0 GAADMO NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(=O)NCc4c[nH]nn4)[C@H]3C2)CC1 ZINC001577723942 1075326541 /nfs/dbraw/zinc/32/65/41/1075326541.db2.gz CPJJGWFNFBYLRE-FPMFFAJLSA-N 1 1 389.460 -1.097 20 0 GAADMO NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(=O)NCc4c[nH]nn4)[C@@H]3C2)CC1 ZINC001577723943 1075326620 /nfs/dbraw/zinc/32/66/20/1075326620.db2.gz CPJJGWFNFBYLRE-IACUBPJLSA-N 1 1 389.460 -1.097 20 0 GAADMO NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(=O)NCc4c[nH]nn4)[C@H]3C2)CC1 ZINC001577723944 1075326546 /nfs/dbraw/zinc/32/65/46/1075326546.db2.gz CPJJGWFNFBYLRE-UBHSHLNASA-N 1 1 389.460 -1.097 20 0 GAADMO NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(=O)NCc4c[nH]nn4)[C@@H]3C2)CC1 ZINC001577723945 1075326524 /nfs/dbraw/zinc/32/65/24/1075326524.db2.gz CPJJGWFNFBYLRE-YUTCNCBUSA-N 1 1 389.460 -1.097 20 0 GAADMO NC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)[C@H](C(F)(F)F)C1 ZINC001577724015 1075327044 /nfs/dbraw/zinc/32/70/44/1075327044.db2.gz GAYCUGVGOIWHOU-PSASIEDQSA-N 1 1 391.354 -1.477 20 0 GAADMO NC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)[C@@H](C(F)(F)F)C1 ZINC001577724016 1075327017 /nfs/dbraw/zinc/32/70/17/1075327017.db2.gz GAYCUGVGOIWHOU-SCZZXKLOSA-N 1 1 391.354 -1.477 20 0 GAADMO NC(=O)CC(=O)N1C[C@H](C[NH2+]CC(=O)NCc2c[nH]nn2)[C@H](C(F)(F)F)C1 ZINC001577724017 1075327009 /nfs/dbraw/zinc/32/70/09/1075327009.db2.gz GAYCUGVGOIWHOU-WCBMZHEXSA-N 1 1 391.354 -1.477 20 0 GAADMO NC(=O)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001577724018 1075326973 /nfs/dbraw/zinc/32/69/73/1075326973.db2.gz GAYCUGVGOIWHOU-WPRPVWTQSA-N 1 1 391.354 -1.477 20 0 GAADMO NC(=O)C1(C(=O)N[C@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C2CCCC2)CC1 ZINC001577724068 1075326946 /nfs/dbraw/zinc/32/69/46/1075326946.db2.gz HVENTIROBFRMOY-CYBMUJFWSA-N 1 1 377.449 -1.049 20 0 GAADMO NC(=O)C1(C(=O)N[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C2CCCC2)CC1 ZINC001577724069 1075326951 /nfs/dbraw/zinc/32/69/51/1075326951.db2.gz HVENTIROBFRMOY-ZDUSSCGKSA-N 1 1 377.449 -1.049 20 0 GAADMO NC(=O)CC(=O)N(Cc1c[nH]nn1)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001577724598 1075328152 /nfs/dbraw/zinc/32/81/52/1075328152.db2.gz WIQGKGKULCLFTQ-HNNXBMFYSA-N 1 1 390.448 -1.269 20 0 GAADMO NC(=O)CC(=O)N(Cc1c[nH]nn1)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001577724599 1075328101 /nfs/dbraw/zinc/32/81/01/1075328101.db2.gz WIQGKGKULCLFTQ-OAHLLOKOSA-N 1 1 390.448 -1.269 20 0 GAADMO NC(=O)CCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)CC[C@@H]2C1 ZINC001577727422 1075328466 /nfs/dbraw/zinc/32/84/66/1075328466.db2.gz KIQJNPHNDMEWLF-OLZOCXBDSA-N 1 1 377.449 -1.143 20 0 GAADMO NC(=O)CCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)CC[C@@H]2C1 ZINC001577727422 1075328460 /nfs/dbraw/zinc/32/84/60/1075328460.db2.gz KIQJNPHNDMEWLF-OLZOCXBDSA-N 1 1 377.449 -1.143 20 0 GAADMO NC(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001577728422 1075329036 /nfs/dbraw/zinc/32/90/36/1075329036.db2.gz ZUJNHNYBWSLNCV-HNNXBMFYSA-N 1 1 378.481 -1.575 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCCCC1 ZINC001577730037 1075329054 /nfs/dbraw/zinc/32/90/54/1075329054.db2.gz AONOERZQYDHVMD-GFCCVEGCSA-N 1 1 381.437 -1.441 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(Cc2c[nH]nn2)CCCCC1 ZINC001577730037 1075329049 /nfs/dbraw/zinc/32/90/49/1075329049.db2.gz AONOERZQYDHVMD-GFCCVEGCSA-N 1 1 381.437 -1.441 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCCCC1 ZINC001577730038 1075329092 /nfs/dbraw/zinc/32/90/92/1075329092.db2.gz AONOERZQYDHVMD-LBPRGKRZSA-N 1 1 381.437 -1.441 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(Cc2c[nH]nn2)CCCCC1 ZINC001577730038 1075329087 /nfs/dbraw/zinc/32/90/87/1075329087.db2.gz AONOERZQYDHVMD-LBPRGKRZSA-N 1 1 381.437 -1.441 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@H]2COC3(C[NH+](CCc4c[nH]nn4)C3)C2)nn1 ZINC001577730094 1075329456 /nfs/dbraw/zinc/32/94/56/1075329456.db2.gz BBZHDFJYELYGGG-LLVKDONJSA-N 1 1 375.393 -2.303 20 0 GAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCc4c[nH]nn4)C3)C2)nn1 ZINC001577730096 1075329397 /nfs/dbraw/zinc/32/93/97/1075329397.db2.gz BBZHDFJYELYGGG-NSHDSACASA-N 1 1 375.393 -2.303 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001577730141 1075329635 /nfs/dbraw/zinc/32/96/35/1075329635.db2.gz BPMFKWVJXQONIB-YIZWMMSDSA-N 1 1 392.464 -1.019 20 0 GAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577730161 1075329608 /nfs/dbraw/zinc/32/96/08/1075329608.db2.gz BXHIXLUQIHXFJQ-GFCCVEGCSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577730165 1075329423 /nfs/dbraw/zinc/32/94/23/1075329423.db2.gz BZHVNTLWHXHPJH-VIFPVBQESA-N 1 1 376.381 -2.998 20 0 GAADMO NC(=O)N1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730197 1075329488 /nfs/dbraw/zinc/32/94/88/1075329488.db2.gz CKPZSNVYDTYHGM-IBUXWKBASA-N 1 1 378.437 -1.384 20 0 GAADMO NC(=O)N1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730201 1075329596 /nfs/dbraw/zinc/32/95/96/1075329596.db2.gz CKPZSNVYDTYHGM-XQJDBVBESA-N 1 1 378.437 -1.384 20 0 GAADMO NC(=O)N1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730203 1075329438 /nfs/dbraw/zinc/32/94/38/1075329438.db2.gz CKPZSNVYDTYHGM-YWVDXFKGSA-N 1 1 378.437 -1.384 20 0 GAADMO NC(=O)N1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730205 1075329385 /nfs/dbraw/zinc/32/93/85/1075329385.db2.gz CKPZSNVYDTYHGM-ZRMMWKCHSA-N 1 1 378.437 -1.384 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCCc2cn[nH]n2)CCO1 ZINC001577730229 1075329566 /nfs/dbraw/zinc/32/95/66/1075329566.db2.gz COXZUSXWUBGSGF-CYBMUJFWSA-N 1 1 381.437 -1.081 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCCCc2cn[nH]n2)CCO1 ZINC001577730230 1075329550 /nfs/dbraw/zinc/32/95/50/1075329550.db2.gz COXZUSXWUBGSGF-ZDUSSCGKSA-N 1 1 381.437 -1.081 20 0 GAADMO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577730236 1075329584 /nfs/dbraw/zinc/32/95/84/1075329584.db2.gz CQGDSJCPHUKOMJ-JTQLQIEISA-N 1 1 390.408 -2.608 20 0 GAADMO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577730237 1075329413 /nfs/dbraw/zinc/32/94/13/1075329413.db2.gz CQGDSJCPHUKOMJ-SNVBAGLBSA-N 1 1 390.408 -2.608 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)C1CCN(Cc2c[nH]nn2)CC1)C1CC1 ZINC001577730269 1075329521 /nfs/dbraw/zinc/32/95/21/1075329521.db2.gz DRQILDRDQSZMQZ-AWEZNQCLSA-N 1 1 392.464 -1.304 20 0 GAADMO NC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)C1CCN(Cc2c[nH]nn2)CC1)C1CC1 ZINC001577730270 1075329977 /nfs/dbraw/zinc/32/99/77/1075329977.db2.gz DRQILDRDQSZMQZ-CQSZACIVSA-N 1 1 392.464 -1.304 20 0 GAADMO NC(=O)NC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)C1CC1 ZINC001577730563 1075330344 /nfs/dbraw/zinc/33/03/44/1075330344.db2.gz NUEGZPRRPLIGGL-OLZOCXBDSA-N 1 1 378.437 -1.552 20 0 GAADMO NC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)C1CC1 ZINC001577730564 1075330393 /nfs/dbraw/zinc/33/03/93/1075330393.db2.gz NUEGZPRRPLIGGL-STQMWFEESA-N 1 1 378.437 -1.552 20 0 GAADMO NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577730575 1075330304 /nfs/dbraw/zinc/33/03/04/1075330304.db2.gz OAJXALGMIGCATK-CHWSQXEVSA-N 1 1 392.464 -1.208 20 0 GAADMO NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577730576 1075330426 /nfs/dbraw/zinc/33/04/26/1075330426.db2.gz OAJXALGMIGCATK-QWHCGFSZSA-N 1 1 392.464 -1.208 20 0 GAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577730579 1075330379 /nfs/dbraw/zinc/33/03/79/1075330379.db2.gz OGXGKTDSLWMZBZ-YPMHNXCESA-N 1 1 378.437 -1.455 20 0 GAADMO NC(=O)N1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577730584 1075330374 /nfs/dbraw/zinc/33/03/74/1075330374.db2.gz OTLBJQHBAUXSQH-RWMBFGLXSA-N 1 1 392.464 -1.304 20 0 GAADMO NC(=O)N1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577730585 1075330331 /nfs/dbraw/zinc/33/03/31/1075330331.db2.gz OTLBJQHBAUXSQH-UPJWGTAASA-N 1 1 392.464 -1.304 20 0 GAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577730596 1075330296 /nfs/dbraw/zinc/33/02/96/1075330296.db2.gz PAVVKELJIXLWOT-CYBMUJFWSA-N 1 1 392.464 -1.208 20 0 GAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577730604 1075330415 /nfs/dbraw/zinc/33/04/15/1075330415.db2.gz PHMRVHSTFCOOCC-GVXVVHGQSA-N 1 1 378.437 -1.552 20 0 GAADMO NC(=O)Cc1occc1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730608 1075330337 /nfs/dbraw/zinc/33/03/37/1075330337.db2.gz PQCUSYJAJSOOJY-GFCCVEGCSA-N 1 1 389.416 -1.064 20 0 GAADMO NC(=O)Cc1occc1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730609 1075330355 /nfs/dbraw/zinc/33/03/55/1075330355.db2.gz PQCUSYJAJSOOJY-LBPRGKRZSA-N 1 1 389.416 -1.064 20 0 GAADMO NC(=O)NC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)CCCCC1 ZINC001577730730 1075330404 /nfs/dbraw/zinc/33/04/04/1075330404.db2.gz UGSMGVUUMBLUIJ-GFCCVEGCSA-N 1 1 392.464 -1.017 20 0 GAADMO NC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577730763 1075330900 /nfs/dbraw/zinc/33/09/00/1075330900.db2.gz VMAHSGZXIDCXCD-NWDGAFQWSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577730764 1075330811 /nfs/dbraw/zinc/33/08/11/1075330811.db2.gz VMAHSGZXIDCXCD-VXGBXAGGSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)C1CC1 ZINC001577730767 1075330875 /nfs/dbraw/zinc/33/08/75/1075330875.db2.gz VNIIOCISQWAZQO-AWEZNQCLSA-N 1 1 392.464 -1.304 20 0 GAADMO NC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)C1CC1 ZINC001577730768 1075330863 /nfs/dbraw/zinc/33/08/63/1075330863.db2.gz VNIIOCISQWAZQO-CQSZACIVSA-N 1 1 392.464 -1.304 20 0 GAADMO NC(=O)N1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730805 1075330757 /nfs/dbraw/zinc/33/07/57/1075330757.db2.gz WYMIKHMZTGFENP-NEPJUHHUSA-N 1 1 382.425 -2.579 20 0 GAADMO NC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730806 1075330907 /nfs/dbraw/zinc/33/09/07/1075330907.db2.gz WYMIKHMZTGFENP-NWDGAFQWSA-N 1 1 382.425 -2.579 20 0 GAADMO NC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730807 1075330916 /nfs/dbraw/zinc/33/09/16/1075330916.db2.gz WYMIKHMZTGFENP-RYUDHWBXSA-N 1 1 382.425 -2.579 20 0 GAADMO NC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577730808 1075330689 /nfs/dbraw/zinc/33/06/89/1075330689.db2.gz WYMIKHMZTGFENP-VXGBXAGGSA-N 1 1 382.425 -2.579 20 0 GAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)CC[C@@H]2C1 ZINC001577732511 1075331251 /nfs/dbraw/zinc/33/12/51/1075331251.db2.gz FBDKYGPQYYFBLT-NEPJUHHUSA-N 1 1 378.437 -1.740 20 0 GAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)CC[C@@H]2C1 ZINC001577732511 1075331246 /nfs/dbraw/zinc/33/12/46/1075331246.db2.gz FBDKYGPQYYFBLT-NEPJUHHUSA-N 1 1 378.437 -1.740 20 0 GAADMO NC(=O)NCCC(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577732853 1075331583 /nfs/dbraw/zinc/33/15/83/1075331583.db2.gz OPXGFXCEZTZURH-CYBMUJFWSA-N 1 1 380.453 -1.160 20 0 GAADMO NC(=O)NCCC(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001577732857 1075331619 /nfs/dbraw/zinc/33/16/19/1075331619.db2.gz OPXGFXCEZTZURH-ZDUSSCGKSA-N 1 1 380.453 -1.160 20 0 GAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCc2c[nH]nn2)O1 ZINC001577732926 1075332099 /nfs/dbraw/zinc/33/20/99/1075332099.db2.gz PPKVXMMLMDGCGK-HZSPNIEDSA-N 1 1 393.448 -1.576 20 0 GAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCc2c[nH]nn2)O1 ZINC001577732927 1075332193 /nfs/dbraw/zinc/33/21/93/1075332193.db2.gz PPKVXMMLMDGCGK-MELADBBJSA-N 1 1 393.448 -1.576 20 0 GAADMO NC(=O)NCCC(=O)N1CCC2(CC[N@@H+](CC(=O)NCc3c[nH]nn3)C2)CC1 ZINC001577732996 1075332128 /nfs/dbraw/zinc/33/21/28/1075332128.db2.gz QUFKVJBPOREPLI-UHFFFAOYSA-N 1 1 392.464 -1.206 20 0 GAADMO NC(=O)NCCC(=O)N1CCC2(CC[N@H+](CC(=O)NCc3c[nH]nn3)C2)CC1 ZINC001577732996 1075332126 /nfs/dbraw/zinc/33/21/26/1075332126.db2.gz QUFKVJBPOREPLI-UHFFFAOYSA-N 1 1 392.464 -1.206 20 0 GAADMO NC(=O)NCCC(=O)N1CCC2(CC[N@@H+](CC(=O)NCc3cn[nH]n3)C2)CC1 ZINC001577732996 1075332120 /nfs/dbraw/zinc/33/21/20/1075332120.db2.gz QUFKVJBPOREPLI-UHFFFAOYSA-N 1 1 392.464 -1.206 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733172 1075332460 /nfs/dbraw/zinc/33/24/60/1075332460.db2.gz UAZLELCGNXAHKX-AAEUAGOBSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733172 1075332453 /nfs/dbraw/zinc/33/24/53/1075332453.db2.gz UAZLELCGNXAHKX-AAEUAGOBSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733172 1075332449 /nfs/dbraw/zinc/33/24/49/1075332449.db2.gz UAZLELCGNXAHKX-AAEUAGOBSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733174 1075332677 /nfs/dbraw/zinc/33/26/77/1075332677.db2.gz UAZLELCGNXAHKX-DGCLKSJQSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733174 1075332671 /nfs/dbraw/zinc/33/26/71/1075332671.db2.gz UAZLELCGNXAHKX-DGCLKSJQSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733174 1075332668 /nfs/dbraw/zinc/33/26/68/1075332668.db2.gz UAZLELCGNXAHKX-DGCLKSJQSA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733176 1075332640 /nfs/dbraw/zinc/33/26/40/1075332640.db2.gz UAZLELCGNXAHKX-WCQYABFASA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733176 1075332637 /nfs/dbraw/zinc/33/26/37/1075332637.db2.gz UAZLELCGNXAHKX-WCQYABFASA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733176 1075332633 /nfs/dbraw/zinc/33/26/33/1075332633.db2.gz UAZLELCGNXAHKX-WCQYABFASA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733178 1075332615 /nfs/dbraw/zinc/33/26/15/1075332615.db2.gz UAZLELCGNXAHKX-YPMHNXCESA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733178 1075332610 /nfs/dbraw/zinc/33/26/10/1075332610.db2.gz UAZLELCGNXAHKX-YPMHNXCESA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)NCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733178 1075332604 /nfs/dbraw/zinc/33/26/04/1075332604.db2.gz UAZLELCGNXAHKX-YPMHNXCESA-N 1 1 378.437 -1.598 20 0 GAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH2+]CCc1c[nH]nn1 ZINC001577735226 1075333602 /nfs/dbraw/zinc/33/36/02/1075333602.db2.gz NGAZOCORYOCLCG-KFWWJZLASA-N 1 1 391.476 -1.054 20 0 GAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH2+]CCc1c[nH]nn1 ZINC001577735227 1075333558 /nfs/dbraw/zinc/33/35/58/1075333558.db2.gz NGAZOCORYOCLCG-ZNMIVQPWSA-N 1 1 391.476 -1.054 20 0 GAADMO NC(=O)c1cc(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCc3c[nH]nn3)C2)c[nH]1 ZINC001577735397 1075333709 /nfs/dbraw/zinc/33/37/09/1075333709.db2.gz UJPBFRQKIPMDGG-LLVKDONJSA-N 1 1 388.432 -1.010 20 0 GAADMO NC(=O)c1cc(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCc3c[nH]nn3)C2)c[nH]1 ZINC001577735398 1075333968 /nfs/dbraw/zinc/33/39/68/1075333968.db2.gz UJPBFRQKIPMDGG-NSHDSACASA-N 1 1 388.432 -1.010 20 0 GAADMO NC(=O)c1cc(C(=O)N[C@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C2CC2)co1 ZINC001577735420 1075333693 /nfs/dbraw/zinc/33/36/93/1075333693.db2.gz VHLXJYSPRMFSTR-GFCCVEGCSA-N 1 1 375.389 -1.089 20 0 GAADMO NC(=O)c1cc(C(=O)N[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C2CC2)co1 ZINC001577735421 1075333769 /nfs/dbraw/zinc/33/37/69/1075333769.db2.gz VHLXJYSPRMFSTR-LBPRGKRZSA-N 1 1 375.389 -1.089 20 0 GAADMO NC(=O)c1cc(C(=O)N2CC(n3cc(C[NH2+]CCc4c[nH]nn4)nn3)C2)c[nH]1 ZINC001577735541 1075334331 /nfs/dbraw/zinc/33/43/31/1075334331.db2.gz ZKZATKKDKPSMKX-UHFFFAOYSA-N 1 1 384.404 -1.147 20 0 GAADMO NC(=O)c1ccc(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)cn1 ZINC001577737842 1075334342 /nfs/dbraw/zinc/33/43/42/1075334342.db2.gz VIQCOGPQQNDPCH-GFCCVEGCSA-N 1 1 386.416 -1.652 20 0 GAADMO NC(=O)c1ccnc(C(=O)N[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C2CC2)c1 ZINC001577739953 1075334841 /nfs/dbraw/zinc/33/48/41/1075334841.db2.gz GLBVILRMHGJMKV-AWEZNQCLSA-N 1 1 386.416 -1.287 20 0 GAADMO NC(=O)c1ccnc(C(=O)N[C@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C2CC2)c1 ZINC001577739954 1075334638 /nfs/dbraw/zinc/33/46/38/1075334638.db2.gz GLBVILRMHGJMKV-CQSZACIVSA-N 1 1 386.416 -1.287 20 0 GAADMO NC(=O)c1ncccc1C(=O)NCC1CC([NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001577740095 1075334782 /nfs/dbraw/zinc/33/47/82/1075334782.db2.gz IOTRJLNHQWLTAF-UHFFFAOYSA-N 1 1 386.416 -1.287 20 0 GAADMO NC(=O)c1ccnc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)c1 ZINC001577740174 1075334768 /nfs/dbraw/zinc/33/47/68/1075334768.db2.gz JZRYGVGSKFFJCR-KLPPZKSPSA-N 1 1 386.416 -1.287 20 0 GAADMO NC(=O)c1ccnc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)c1 ZINC001577740175 1075334731 /nfs/dbraw/zinc/33/47/31/1075334731.db2.gz JZRYGVGSKFFJCR-UMSPYCQHSA-N 1 1 386.416 -1.287 20 0 GAADMO NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+]CCc3c[nH]nn3)C2)o1 ZINC001577740191 1075334799 /nfs/dbraw/zinc/33/47/99/1075334799.db2.gz KMUNWEMBWGPHOL-LLVKDONJSA-N 1 1 384.418 -1.282 20 0 GAADMO NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH2+]CCc3c[nH]nn3)C2)o1 ZINC001577740192 1075335134 /nfs/dbraw/zinc/33/51/34/1075335134.db2.gz KMUNWEMBWGPHOL-NSHDSACASA-N 1 1 384.418 -1.282 20 0 GAADMO NC(=O)c1ncn(CC(=O)N(Cc2c[nH]nn2)C2CC[NH+](CCCO)CC2)n1 ZINC001577740282 1075335207 /nfs/dbraw/zinc/33/52/07/1075335207.db2.gz LGUCOUJVDHMGFQ-UHFFFAOYSA-N 1 1 391.436 -1.629 20 0 GAADMO NC(=O)c1csc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCc2c[nH]nn2)c1 ZINC001577740313 1075335272 /nfs/dbraw/zinc/33/52/72/1075335272.db2.gz LYYYOBXWMLBRJW-JTQLQIEISA-N 1 1 381.418 -2.038 20 0 GAADMO NC(=O)c1csc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCc2c[nH]nn2)c1 ZINC001577740320 1075335103 /nfs/dbraw/zinc/33/51/03/1075335103.db2.gz LYYYOBXWMLBRJW-SNVBAGLBSA-N 1 1 381.418 -2.038 20 0 GAADMO NC(=O)c1ncn(CC(=O)NC2(CO)CC[NH+](CCc3cn[nH]n3)CC2)n1 ZINC001577740350 1075335246 /nfs/dbraw/zinc/33/52/46/1075335246.db2.gz MOMHDJIUHXLRFK-UHFFFAOYSA-N 1 1 377.409 -2.319 20 0 GAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NCC1=CC[N@@H+](CCc2cn[nH]n2)CC1 ZINC001577740388 1075335306 /nfs/dbraw/zinc/33/53/06/1075335306.db2.gz NXSCJMJRQQLPLN-UHFFFAOYSA-N 1 1 380.434 -1.220 20 0 GAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NCC1=CC[N@H+](CCc2cn[nH]n2)CC1 ZINC001577740388 1075335302 /nfs/dbraw/zinc/33/53/02/1075335302.db2.gz NXSCJMJRQQLPLN-UHFFFAOYSA-N 1 1 380.434 -1.220 20 0 GAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NCC1=CC[N@@H+](CCc2c[nH]nn2)CC1 ZINC001577740388 1075335299 /nfs/dbraw/zinc/33/52/99/1075335299.db2.gz NXSCJMJRQQLPLN-UHFFFAOYSA-N 1 1 380.434 -1.220 20 0 GAADMO NC(=O)c1ccnc(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCc3c[nH]nn3)C2)c1 ZINC001577740540 1075335257 /nfs/dbraw/zinc/33/52/57/1075335257.db2.gz QBVRCLDFQBVDJX-UMSPYCQHSA-N 1 1 386.416 -1.287 20 0 GAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001577740599 1075335677 /nfs/dbraw/zinc/33/56/77/1075335677.db2.gz SDWAKAFKZIDPHS-VHSXEESVSA-N 1 1 382.450 -1.094 20 0 GAADMO NC(=O)c1ncn(CC(=O)NCCC[NH+]2CCN(Cc3cn[nH]n3)CC2)n1 ZINC001577740713 1075335521 /nfs/dbraw/zinc/33/55/21/1075335521.db2.gz SRODQPAJUWBVRW-UHFFFAOYSA-N 1 1 376.425 -2.181 20 0 GAADMO NC(=O)c1ncn(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577740926 1075335605 /nfs/dbraw/zinc/33/56/05/1075335605.db2.gz XSVBLTBHSJEEPT-JTQLQIEISA-N 1 1 390.408 -2.608 20 0 GAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577740956 1075335764 /nfs/dbraw/zinc/33/57/64/1075335764.db2.gz YXAFZQUCHSBNEX-JTQLQIEISA-N 1 1 390.408 -2.750 20 0 GAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577740956 1075335759 /nfs/dbraw/zinc/33/57/59/1075335759.db2.gz YXAFZQUCHSBNEX-JTQLQIEISA-N 1 1 390.408 -2.750 20 0 GAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577740957 1075335641 /nfs/dbraw/zinc/33/56/41/1075335641.db2.gz YXAFZQUCHSBNEX-SNVBAGLBSA-N 1 1 390.408 -2.750 20 0 GAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577740957 1075335637 /nfs/dbraw/zinc/33/56/37/1075335637.db2.gz YXAFZQUCHSBNEX-SNVBAGLBSA-N 1 1 390.408 -2.750 20 0 GAADMO Nc1nccnc1C(=O)NCC1([NH2+]CC(=O)NCc2c[nH]nn2)CCOCC1 ZINC001577742910 1075336200 /nfs/dbraw/zinc/33/62/00/1075336200.db2.gz MSUBINRKWBCVOB-UHFFFAOYSA-N 1 1 389.420 -1.638 20 0 GAADMO O=C(CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)NCc1c[nH]nn1 ZINC001577770063 1075340628 /nfs/dbraw/zinc/34/06/28/1075340628.db2.gz YOXJIAVXQKRFRZ-OLZOCXBDSA-N 1 1 391.432 -2.405 20 0 GAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577776480 1075341623 /nfs/dbraw/zinc/34/16/23/1075341623.db2.gz FTFLWSYFXWZQFS-JHEVNIALSA-N 1 1 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O=C(C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCNC2=O)C1)NCc1c[nH]nn1 ZINC001577935200 1075366574 /nfs/dbraw/zinc/36/65/74/1075366574.db2.gz MQGRAKNYCFPFJN-MLGOLLRUSA-N 1 1 379.421 -2.500 20 0 GAADMO O=C(C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCNC2=O)C1)NCc1c[nH]nn1 ZINC001577935201 1075366480 /nfs/dbraw/zinc/36/64/80/1075366480.db2.gz MQGRAKNYCFPFJN-WBMJQRKESA-N 1 1 379.421 -2.500 20 0 GAADMO O=C(C[NH2+]C1(CNC(=O)c2ccc3nnnn3c2)CCC1)NCc1c[nH]nn1 ZINC001577935205 1075366453 /nfs/dbraw/zinc/36/64/53/1075366453.db2.gz MUMDZXSHHMSDDH-UHFFFAOYSA-N 1 1 384.404 -1.199 20 0 GAADMO O=C(C[NH2+][C@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1)NCc1c[nH]nn1 ZINC001577935225 1075366490 /nfs/dbraw/zinc/36/64/90/1075366490.db2.gz NLYFGXOPUXXUKY-LLVKDONJSA-N 1 1 378.393 -2.543 20 0 GAADMO O=C(C[NH2+][C@@H](CNC(=O)CN1C(=O)CNC1=O)C1CC1)NCc1c[nH]nn1 ZINC001577935226 1075366536 /nfs/dbraw/zinc/36/65/36/1075366536.db2.gz NLYFGXOPUXXUKY-NSHDSACASA-N 1 1 378.393 -2.543 20 0 GAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc(C(F)(F)F)no1)NCc1c[nH]nn1 ZINC001577935238 1075366463 /nfs/dbraw/zinc/36/64/63/1075366463.db2.gz OHMRUSPJQTWFBZ-MRVPVSSYSA-N 1 1 391.310 -1.192 20 0 GAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc(C(F)(F)F)no1)NCc1c[nH]nn1 ZINC001577935239 1075366523 /nfs/dbraw/zinc/36/65/23/1075366523.db2.gz OHMRUSPJQTWFBZ-QMMMGPOBSA-N 1 1 391.310 -1.192 20 0 GAADMO O=C(C[NH2+][C@H](CNC(=O)c1cnc2n1CCOC2)C1CC1)NCc1c[nH]nn1 ZINC001577935247 1075366544 /nfs/dbraw/zinc/36/65/44/1075366544.db2.gz OKKKVFXYGGNDJY-CYBMUJFWSA-N 1 1 388.432 -1.054 20 0 GAADMO O=C(C[NH2+][C@@H](CNC(=O)c1cnc2n1CCOC2)C1CC1)NCc1c[nH]nn1 ZINC001577935248 1075366589 /nfs/dbraw/zinc/36/65/89/1075366589.db2.gz OKKKVFXYGGNDJY-ZDUSSCGKSA-N 1 1 388.432 -1.054 20 0 GAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C(=O)Nc1ccccc1)NCc1cn[nH]n1 ZINC001577935250 1075366889 /nfs/dbraw/zinc/36/68/89/1075366889.db2.gz OLJPGYXNYXTZMW-CYBMUJFWSA-N 1 1 375.389 -1.874 20 0 GAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C(=O)Nc1ccccc1)NCc1cn[nH]n1 ZINC001577935251 1075367073 /nfs/dbraw/zinc/36/70/73/1075367073.db2.gz OLJPGYXNYXTZMW-ZDUSSCGKSA-N 1 1 375.389 -1.874 20 0 GAADMO O=C(C[NH2+]C1(CNC(=O)CC2(O)CCC2)CCOCC1)NCc1c[nH]nn1 ZINC001577935264 1075366914 /nfs/dbraw/zinc/36/69/14/1075366914.db2.gz OXVULMQBJQSMAZ-UHFFFAOYSA-N 1 1 380.449 -1.019 20 0 GAADMO O=C(C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cncn2)C1)NCc1c[nH]nn1 ZINC001577935271 1075367014 /nfs/dbraw/zinc/36/70/14/1075367014.db2.gz PCBUDBKQXCSXHO-HNNXBMFYSA-N 1 1 377.409 -2.344 20 0 GAADMO O=C(C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cncn2)C1)NCc1c[nH]nn1 ZINC001577935272 1075366947 /nfs/dbraw/zinc/36/69/47/1075366947.db2.gz PCBUDBKQXCSXHO-OAHLLOKOSA-N 1 1 377.409 -2.344 20 0 GAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc2c([nH]c1=O)CCC2)NCc1c[nH]nn1 ZINC001577935299 1075366972 /nfs/dbraw/zinc/36/69/72/1075366972.db2.gz PNZJPTORTHUVCI-GFCCVEGCSA-N 1 1 389.416 -1.609 20 0 GAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc2c([nH]c1=O)CCC2)NCc1c[nH]nn1 ZINC001577935300 1075367027 /nfs/dbraw/zinc/36/70/27/1075367027.db2.gz PNZJPTORTHUVCI-LBPRGKRZSA-N 1 1 389.416 -1.609 20 0 GAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)NCc1c[nH]nn1 ZINC001577935353 1075366817 /nfs/dbraw/zinc/36/68/17/1075366817.db2.gz REVCVWDIFLEXQH-JQWIXIFHSA-N 1 1 391.392 -3.133 20 0 GAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)NCc1c[nH]nn1 ZINC001577935354 1075366927 /nfs/dbraw/zinc/36/69/27/1075366927.db2.gz REVCVWDIFLEXQH-PWSUYJOCSA-N 1 1 391.392 -3.133 20 0 GAADMO O=C(C[NH2+]C1(CNC(=O)c2nc3ncccn3n2)CCC1)NCc1c[nH]nn1 ZINC001577935364 1075366992 /nfs/dbraw/zinc/36/69/92/1075366992.db2.gz SASHKVURSDPOCX-UHFFFAOYSA-N 1 1 384.404 -1.199 20 0 GAADMO O=C(C[NH2+]C1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1)NCc1c[nH]nn1 ZINC001577935406 1075367100 /nfs/dbraw/zinc/36/71/00/1075367100.db2.gz SXPFPHXWRNETOP-CBINBANVSA-N 1 1 385.450 -2.403 20 0 GAADMO O=C(C[NH2+]C1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1)NCc1c[nH]nn1 ZINC001577935407 1075367092 /nfs/dbraw/zinc/36/70/92/1075367092.db2.gz SXPFPHXWRNETOP-RTYFJBAXSA-N 1 1 385.450 -2.403 20 0 GAADMO O=C(C[NH2+][C@@H](CNC(=O)Cn1cnnn1)c1ccccc1)NCc1cn[nH]n1 ZINC001577935415 1075366868 /nfs/dbraw/zinc/36/68/68/1075366868.db2.gz UAPKUSJSSUSKJA-AWEZNQCLSA-N 1 1 384.404 -1.445 20 0 GAADMO O=C(C[NH2+][C@H](CNC(=O)Cn1cnnn1)c1ccccc1)NCc1cn[nH]n1 ZINC001577935416 1075366795 /nfs/dbraw/zinc/36/67/95/1075366795.db2.gz UAPKUSJSSUSKJA-CQSZACIVSA-N 1 1 384.404 -1.445 20 0 GAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc2n(c1)CCCC2)NCc1c[nH]nn1 ZINC001577935426 1075367001 /nfs/dbraw/zinc/36/70/01/1075367001.db2.gz UNIXDRZMFZOVEL-AWEZNQCLSA-N 1 1 375.433 -1.061 20 0 GAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc2n(c1)CCCC2)NCc1c[nH]nn1 ZINC001577935427 1075367043 /nfs/dbraw/zinc/36/70/43/1075367043.db2.gz UNIXDRZMFZOVEL-CQSZACIVSA-N 1 1 375.433 -1.061 20 0 GAADMO O=C(C[NH2+][C@@]1(CO)CCCN(C(=O)CCOCc2c[nH]nn2)C1)N1CCC1 ZINC001577935457 1075366850 /nfs/dbraw/zinc/36/68/50/1075366850.db2.gz VNDBTESDGOQRAQ-KRWDZBQOSA-N 1 1 380.449 -1.113 20 0 GAADMO O=C(C[NH2+][C@]1(CO)CCCN(C(=O)CCOCc2c[nH]nn2)C1)N1CCC1 ZINC001577935458 1075367059 /nfs/dbraw/zinc/36/70/59/1075367059.db2.gz VNDBTESDGOQRAQ-QGZVFWFLSA-N 1 1 380.449 -1.113 20 0 GAADMO O=C(C[NH2+]C1CC(CNC(=O)c2ccnc3n[nH]nc32)C1)NCc1c[nH]nn1 ZINC001577935507 1075367443 /nfs/dbraw/zinc/36/74/43/1075367443.db2.gz WZVRQGKUXKJSLR-UHFFFAOYSA-N 1 1 384.404 -1.115 20 0 GAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1nccc2cccnc21)NCc1c[nH]nn1 ZINC001577935573 1075367386 /nfs/dbraw/zinc/36/73/86/1075367386.db2.gz YTQKGTOYOACLGU-CYBMUJFWSA-N 1 1 384.400 -1.255 20 0 GAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1nccc2cccnc21)NCc1c[nH]nn1 ZINC001577935574 1075367455 /nfs/dbraw/zinc/36/74/55/1075367455.db2.gz YTQKGTOYOACLGU-ZDUSSCGKSA-N 1 1 384.400 -1.255 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1)C2)NCc1c[nH]nn1 ZINC001577938284 1075367499 /nfs/dbraw/zinc/36/74/99/1075367499.db2.gz AMWFGIUWLFASNV-DZKIICNBSA-N 1 1 391.476 -1.278 20 0 GAADMO O=C(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1)C2)NCc1c[nH]nn1 ZINC001577938285 1075367558 /nfs/dbraw/zinc/36/75/58/1075367558.db2.gz AMWFGIUWLFASNV-LZWOXQAQSA-N 1 1 391.476 -1.278 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc2c(c1)CCOC2)NCc1c[nH]nn1 ZINC001577938304 1075367537 /nfs/dbraw/zinc/36/75/37/1075367537.db2.gz AYGIJCKYONLJFY-INIZCTEOSA-N 1 1 388.428 -1.126 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(c1)CCOC2)NCc1c[nH]nn1 ZINC001577938305 1075367424 /nfs/dbraw/zinc/36/74/24/1075367424.db2.gz AYGIJCKYONLJFY-MRXNPFEDSA-N 1 1 388.428 -1.126 20 0 GAADMO O=C(C[NH2+]C1CCC(NC(=O)C[C@@H]2CCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577938335 1075367574 /nfs/dbraw/zinc/36/75/74/1075367574.db2.gz BRBKDNAEYVGKAR-HIFPTAJRSA-N 1 1 377.449 -1.036 20 0 GAADMO O=C(C[NH2+]C1CCC(NC(=O)C[C@H]2CCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577938336 1075367367 /nfs/dbraw/zinc/36/73/67/1075367367.db2.gz BRBKDNAEYVGKAR-PNESKVBLSA-N 1 1 377.449 -1.036 20 0 GAADMO O=C(C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1)NCc1c[nH]nn1 ZINC001577938451 1075367485 /nfs/dbraw/zinc/36/74/85/1075367485.db2.gz FEJPGUBSRZVEJY-GHMZBOCLSA-N 1 1 392.420 -2.010 20 0 GAADMO O=C(C[NH2+][C@@H]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1)NCc1c[nH]nn1 ZINC001577938452 1075367471 /nfs/dbraw/zinc/36/74/71/1075367471.db2.gz FEJPGUBSRZVEJY-MNOVXSKESA-N 1 1 392.420 -2.010 20 0 GAADMO O=C(C[NH2+][C@H]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1)NCc1c[nH]nn1 ZINC001577938453 1075367429 /nfs/dbraw/zinc/36/74/29/1075367429.db2.gz FEJPGUBSRZVEJY-QWRGUYRKSA-N 1 1 392.420 -2.010 20 0 GAADMO O=C(C[NH2+][C@H]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1)NCc1c[nH]nn1 ZINC001577938454 1075367511 /nfs/dbraw/zinc/36/75/11/1075367511.db2.gz FEJPGUBSRZVEJY-WDEREUQCSA-N 1 1 392.420 -2.010 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1)NCc1c[nH]nn1 ZINC001577938490 1075367547 /nfs/dbraw/zinc/36/75/47/1075367547.db2.gz FYLKMOYMKYXENR-GFCCVEGCSA-N 1 1 391.432 -1.459 20 0 GAADMO O=C(C[NH2+][C@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1)NCc1c[nH]nn1 ZINC001577938491 1075367376 /nfs/dbraw/zinc/36/73/76/1075367376.db2.gz FYLKMOYMKYXENR-LBPRGKRZSA-N 1 1 391.432 -1.459 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1conc1C(F)(F)F)NCc1c[nH]nn1 ZINC001577938503 1075367402 /nfs/dbraw/zinc/36/74/02/1075367402.db2.gz GIVNNJAYNVRHMB-MRVPVSSYSA-N 1 1 391.310 -1.192 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1conc1C(F)(F)F)NCc1c[nH]nn1 ZINC001577938504 1075367565 /nfs/dbraw/zinc/36/75/65/1075367565.db2.gz GIVNNJAYNVRHMB-QMMMGPOBSA-N 1 1 391.310 -1.192 20 0 GAADMO O=C(C[NH2+]C1CCC(NC(=O)CN2C(=O)CCC2=O)CC1)NCc1c[nH]nn1 ZINC001577938535 1075367413 /nfs/dbraw/zinc/36/74/13/1075367413.db2.gz HIAYJRWGFFGPEB-UHFFFAOYSA-N 1 1 391.432 -1.413 20 0 GAADMO O=C(C[NH2+]C1CCN(CCNC(=O)[C@H]2CCC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577938583 1075367527 /nfs/dbraw/zinc/36/75/27/1075367527.db2.gz IHOXNKGQJNFIPZ-CQSZACIVSA-N 1 1 392.464 -2.130 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cnnn2)C1)NCc1c[nH]nn1 ZINC001577938624 1075367927 /nfs/dbraw/zinc/36/79/27/1075367927.db2.gz JCVXCHSSKSLOGH-GFCCVEGCSA-N 1 1 376.425 -1.532 20 0 GAADMO O=C(C[NH2+][C@H]1CCCCCN(C(=O)Cn2cnnn2)C1)NCc1c[nH]nn1 ZINC001577938625 1075368006 /nfs/dbraw/zinc/36/80/06/1075368006.db2.gz JCVXCHSSKSLOGH-LBPRGKRZSA-N 1 1 376.425 -1.532 20 0 GAADMO O=C(C[NH2+]C1CCN(CCNC(=O)C2=CCOCC2)CC1)NCc1c[nH]nn1 ZINC001577938626 1075367938 /nfs/dbraw/zinc/36/79/38/1075367938.db2.gz JDEVNLFELRGDQV-UHFFFAOYSA-N 1 1 391.476 -1.062 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]nc1-c1ccoc1)NCc1c[nH]nn1 ZINC001577938637 1075367854 /nfs/dbraw/zinc/36/78/54/1075367854.db2.gz JWKHRJQIEZERTP-GFCCVEGCSA-N 1 1 388.388 -1.216 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1c[nH]nc1-c1ccoc1)NCc1c[nH]nn1 ZINC001577938638 1075367986 /nfs/dbraw/zinc/36/79/86/1075367986.db2.gz JWKHRJQIEZERTP-LBPRGKRZSA-N 1 1 388.388 -1.216 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nncn2CC1)NCc1c[nH]nn1 ZINC001577938639 1075367950 /nfs/dbraw/zinc/36/79/50/1075367950.db2.gz JXAVJANALVMCKH-AAEUAGOBSA-N 1 1 391.436 -2.268 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2CC1)NCc1c[nH]nn1 ZINC001577938640 1075367958 /nfs/dbraw/zinc/36/79/58/1075367958.db2.gz JXAVJANALVMCKH-DGCLKSJQSA-N 1 1 391.436 -2.268 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nncn2CC1)NCc1c[nH]nn1 ZINC001577938641 1075368019 /nfs/dbraw/zinc/36/80/19/1075368019.db2.gz JXAVJANALVMCKH-WCQYABFASA-N 1 1 391.436 -2.268 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nncn2CC1)NCc1c[nH]nn1 ZINC001577938642 1075367978 /nfs/dbraw/zinc/36/79/78/1075367978.db2.gz JXAVJANALVMCKH-YPMHNXCESA-N 1 1 391.436 -2.268 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cnc2nccnc2c1)NCc1c[nH]nn1 ZINC001577938660 1075368030 /nfs/dbraw/zinc/36/80/30/1075368030.db2.gz KFPFZCJAWNIYGR-GFCCVEGCSA-N 1 1 385.388 -1.860 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cnc2nccnc2c1)NCc1c[nH]nn1 ZINC001577938661 1075367880 /nfs/dbraw/zinc/36/78/80/1075367880.db2.gz KFPFZCJAWNIYGR-LBPRGKRZSA-N 1 1 385.388 -1.860 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)Cc1ccc2n[nH]cc2c1)NCc1c[nH]nn1 ZINC001577938685 1075367866 /nfs/dbraw/zinc/36/78/66/1075367866.db2.gz KXXYBXKXBUGZBQ-AWEZNQCLSA-N 1 1 386.416 -1.393 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)Cc1ccc2n[nH]cc2c1)NCc1c[nH]nn1 ZINC001577938686 1075367970 /nfs/dbraw/zinc/36/79/70/1075367970.db2.gz KXXYBXKXBUGZBQ-CQSZACIVSA-N 1 1 386.416 -1.393 20 0 GAADMO O=C(C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cncn3)C[C@@H]21)NCc1c[nH]nn1 ZINC001577938693 1075367996 /nfs/dbraw/zinc/36/79/96/1075367996.db2.gz LJBIBAVMTSLWAH-AEGPPILISA-N 1 1 387.448 -1.071 20 0 GAADMO O=C(C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]21)NCc1c[nH]nn1 ZINC001577938694 1075367842 /nfs/dbraw/zinc/36/78/42/1075367842.db2.gz LJBIBAVMTSLWAH-BPLDGKMQSA-N 1 1 387.448 -1.071 20 0 GAADMO O=C(C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21)NCc1c[nH]nn1 ZINC001577938695 1075367832 /nfs/dbraw/zinc/36/78/32/1075367832.db2.gz LJBIBAVMTSLWAH-NWANDNLSSA-N 1 1 387.448 -1.071 20 0 GAADMO O=C(C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]21)NCc1c[nH]nn1 ZINC001577938696 1075367913 /nfs/dbraw/zinc/36/79/13/1075367913.db2.gz LJBIBAVMTSLWAH-VHDGCEQUSA-N 1 1 387.448 -1.071 20 0 GAADMO O=C(C[NH2+]C[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C1CC1)NCc1c[nH]nn1 ZINC001577938713 1075367897 /nfs/dbraw/zinc/36/78/97/1075367897.db2.gz LPISJFDYOBMERI-CMPLNLGQSA-N 1 1 377.405 -2.042 20 0 GAADMO O=C(C[NH2+]C[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C1CC1)NCc1c[nH]nn1 ZINC001577938714 1075368011 /nfs/dbraw/zinc/36/80/11/1075368011.db2.gz LPISJFDYOBMERI-JQWIXIFHSA-N 1 1 377.405 -2.042 20 0 GAADMO O=C(C[NH2+]C[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1)NCc1c[nH]nn1 ZINC001577938715 1075367808 /nfs/dbraw/zinc/36/78/08/1075367808.db2.gz LPISJFDYOBMERI-PWSUYJOCSA-N 1 1 377.405 -2.042 20 0 GAADMO O=C(C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1)NCc1c[nH]nn1 ZINC001577938716 1075368273 /nfs/dbraw/zinc/36/82/73/1075368273.db2.gz LPISJFDYOBMERI-ZYHUDNBSSA-N 1 1 377.405 -2.042 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCS1(=O)=O)NCc1c[nH]nn1 ZINC001577938723 1075368301 /nfs/dbraw/zinc/36/83/01/1075368301.db2.gz LQSTVUHSNNYPCS-NEPJUHHUSA-N 1 1 388.450 -2.545 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O)NCc1c[nH]nn1 ZINC001577938724 1075368433 /nfs/dbraw/zinc/36/84/33/1075368433.db2.gz LQSTVUHSNNYPCS-NWDGAFQWSA-N 1 1 388.450 -2.545 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCS1(=O)=O)NCc1c[nH]nn1 ZINC001577938725 1075368349 /nfs/dbraw/zinc/36/83/49/1075368349.db2.gz LQSTVUHSNNYPCS-RYUDHWBXSA-N 1 1 388.450 -2.545 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O)NCc1c[nH]nn1 ZINC001577938726 1075368462 /nfs/dbraw/zinc/36/84/62/1075368462.db2.gz LQSTVUHSNNYPCS-VXGBXAGGSA-N 1 1 388.450 -2.545 20 0 GAADMO O=C(C[NH2+]CC1(NC(=O)[C@H]2COC(=O)N2)CCOCC1)NCc1c[nH]nn1 ZINC001577938776 1075368286 /nfs/dbraw/zinc/36/82/86/1075368286.db2.gz NCTYSGLEBFOFJE-LLVKDONJSA-N 1 1 381.393 -2.216 20 0 GAADMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2COC(=O)N2)CCOCC1)NCc1c[nH]nn1 ZINC001577938777 1075368332 /nfs/dbraw/zinc/36/83/32/1075368332.db2.gz NCTYSGLEBFOFJE-NSHDSACASA-N 1 1 381.393 -2.216 20 0 GAADMO O=C(C[NH2+][C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1)NCc1c[nH]nn1 ZINC001577938792 1075368479 /nfs/dbraw/zinc/36/84/79/1075368479.db2.gz NNQCBKFDBFBNOV-SECBINFHSA-N 1 1 385.388 -1.098 20 0 GAADMO O=C(C[NH2+][C@H]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1)NCc1c[nH]nn1 ZINC001577938793 1075368368 /nfs/dbraw/zinc/36/83/68/1075368368.db2.gz NNQCBKFDBFBNOV-VIFPVBQESA-N 1 1 385.388 -1.098 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2c1CCCC2)NCc1c[nH]nn1 ZINC001577938920 1075368403 /nfs/dbraw/zinc/36/84/03/1075368403.db2.gz QJTUGRBPYLEGJQ-LLVKDONJSA-N 1 1 376.421 -1.597 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2c1CCCC2)NCc1c[nH]nn1 ZINC001577938921 1075368449 /nfs/dbraw/zinc/36/84/49/1075368449.db2.gz QJTUGRBPYLEGJQ-NSHDSACASA-N 1 1 376.421 -1.597 20 0 GAADMO O=C(C[NH2+]CC1(CCNC(=O)C2CS(=O)(=O)C2)CC1)NCc1c[nH]nn1 ZINC001577938973 1075368489 /nfs/dbraw/zinc/36/84/89/1075368489.db2.gz RZDMWLVJNKOWFP-UHFFFAOYSA-N 1 1 384.462 -1.658 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)Cc1cnn2c1CCCC2)NCc1c[nH]nn1 ZINC001577938992 1075368387 /nfs/dbraw/zinc/36/83/87/1075368387.db2.gz SQQAPODZUQDVGX-AWEZNQCLSA-N 1 1 390.448 -1.737 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)Cc1cnn2c1CCCC2)NCc1c[nH]nn1 ZINC001577938993 1075368418 /nfs/dbraw/zinc/36/84/18/1075368418.db2.gz SQQAPODZUQDVGX-CQSZACIVSA-N 1 1 390.448 -1.737 20 0 GAADMO O=C(C[NH2+]CC1(NC(=O)[C@H]2COC(=O)N2)CCCCC1)NCc1c[nH]nn1 ZINC001577939024 1075368317 /nfs/dbraw/zinc/36/83/17/1075368317.db2.gz UFDGSPAPWRYGKK-GFCCVEGCSA-N 1 1 379.421 -1.062 20 0 GAADMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2COC(=O)N2)CCCCC1)NCc1c[nH]nn1 ZINC001577939025 1075368470 /nfs/dbraw/zinc/36/84/70/1075368470.db2.gz UFDGSPAPWRYGKK-LBPRGKRZSA-N 1 1 379.421 -1.062 20 0 GAADMO O=C(C[NH2+]CC1(NC(=O)c2ccc(=O)[nH]n2)CCOCC1)NCc1c[nH]nn1 ZINC001577939055 1075368797 /nfs/dbraw/zinc/36/87/97/1075368797.db2.gz VCEBATOAUGTHMN-UHFFFAOYSA-N 1 1 390.404 -1.515 20 0 GAADMO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1)NCc1c[nH]nn1 ZINC001577939061 1075368815 /nfs/dbraw/zinc/36/88/15/1075368815.db2.gz VIYHSAJOYVBQHA-AJTFUAFCSA-N 1 1 375.433 -1.284 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCc1c[nH]nn1 ZINC001577939074 1075368656 /nfs/dbraw/zinc/36/86/56/1075368656.db2.gz VVOYJIYGVCXJCU-GZCFXPHUSA-N 1 1 382.421 -2.461 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCc1c[nH]nn1 ZINC001577939075 1075368808 /nfs/dbraw/zinc/36/88/08/1075368808.db2.gz VVOYJIYGVCXJCU-QMPIGLIWSA-N 1 1 382.421 -2.461 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cccc2nccnc21)NCc1c[nH]nn1 ZINC001577939076 1075368726 /nfs/dbraw/zinc/36/87/26/1075368726.db2.gz VXQWYQKKWHXDJC-GFCCVEGCSA-N 1 1 384.400 -1.255 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cccc2nccnc21)NCc1c[nH]nn1 ZINC001577939077 1075368742 /nfs/dbraw/zinc/36/87/42/1075368742.db2.gz VXQWYQKKWHXDJC-LBPRGKRZSA-N 1 1 384.400 -1.255 20 0 GAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1nnc2ccccc2n1)NCc1c[nH]nn1 ZINC001577939090 1075368766 /nfs/dbraw/zinc/36/87/66/1075368766.db2.gz WMKBFMZFVAXNGE-LLVKDONJSA-N 1 1 385.388 -1.860 20 0 GAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1nnc2ccccc2n1)NCc1c[nH]nn1 ZINC001577939091 1075368772 /nfs/dbraw/zinc/36/87/72/1075368772.db2.gz WMKBFMZFVAXNGE-NSHDSACASA-N 1 1 385.388 -1.860 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCN(C(=O)c2nc3ncccn3n2)C1)NCc1c[nH]nn1 ZINC001577939128 1075368691 /nfs/dbraw/zinc/36/86/91/1075368691.db2.gz XNMBXYOYILISFX-LLVKDONJSA-N 1 1 384.404 -1.247 20 0 GAADMO O=C(C[NH2+][C@H]1CCCN(C(=O)c2nc3ncccn3n2)C1)NCc1c[nH]nn1 ZINC001577939129 1075368758 /nfs/dbraw/zinc/36/87/58/1075368758.db2.gz XNMBXYOYILISFX-NSHDSACASA-N 1 1 384.404 -1.247 20 0 GAADMO O=C(CNC(=O)C1CC1)NC1(C[NH2+]CC(=O)NCc2c[nH]nn2)CCCC1 ZINC001577939144 1075368805 /nfs/dbraw/zinc/36/88/05/1075368805.db2.gz XYZXHOXBTTUOIW-UHFFFAOYSA-N 1 1 377.449 -1.034 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1)NCc1c[nH]nn1 ZINC001577941467 1075368681 /nfs/dbraw/zinc/36/86/81/1075368681.db2.gz ACPNDCKZZLJQFB-CYBMUJFWSA-N 1 1 392.424 -2.295 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1)NCc1c[nH]nn1 ZINC001577941474 1075368719 /nfs/dbraw/zinc/36/87/19/1075368719.db2.gz ACPNDCKZZLJQFB-ZDUSSCGKSA-N 1 1 392.424 -2.295 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)CCO1)NCc1c[nH]nn1 ZINC001577941520 1075368748 /nfs/dbraw/zinc/36/87/48/1075368748.db2.gz ANLZIZLYOCOEHF-GFCCVEGCSA-N 1 1 390.404 -1.859 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)CCO1)NCc1c[nH]nn1 ZINC001577941521 1075368827 /nfs/dbraw/zinc/36/88/27/1075368827.db2.gz ANLZIZLYOCOEHF-LBPRGKRZSA-N 1 1 390.404 -1.859 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)Cn2ccnc2)CC1)NCc1c[nH]nn1 ZINC001577941565 1075368703 /nfs/dbraw/zinc/36/87/03/1075368703.db2.gz BCSRYPQQUBWASN-UHFFFAOYSA-N 1 1 376.421 -1.739 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CC1CS(=O)(=O)C1)NCc1c[nH]nn1 ZINC001577941654 1075368668 /nfs/dbraw/zinc/36/86/68/1075368668.db2.gz COVQRGNSOWSTJG-CYBMUJFWSA-N 1 1 384.462 -1.564 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)CC1CS(=O)(=O)C1)NCc1c[nH]nn1 ZINC001577941656 1075368735 /nfs/dbraw/zinc/36/87/35/1075368735.db2.gz COVQRGNSOWSTJG-ZDUSSCGKSA-N 1 1 384.462 -1.564 20 0 GAADMO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)NCc1c[nH]nn1 ZINC001577941678 1075368782 /nfs/dbraw/zinc/36/87/82/1075368782.db2.gz CVOMKRJSHIQWOF-AORQRIRUSA-N 1 1 387.404 -1.938 20 0 GAADMO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)NCc1c[nH]nn1 ZINC001577941680 1075368790 /nfs/dbraw/zinc/36/87/90/1075368790.db2.gz CVOMKRJSHIQWOF-FYDYADQUSA-N 1 1 387.404 -1.938 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2COC(=O)C2)CCO1)NCc1c[nH]nn1 ZINC001577941691 1075369175 /nfs/dbraw/zinc/36/91/75/1075369175.db2.gz DAUCPLVTJNNOMC-AAEUAGOBSA-N 1 1 380.405 -1.809 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)CCO1)NCc1c[nH]nn1 ZINC001577941694 1075369280 /nfs/dbraw/zinc/36/92/80/1075369280.db2.gz DAUCPLVTJNNOMC-DGCLKSJQSA-N 1 1 380.405 -1.809 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)CCO1)NCc1c[nH]nn1 ZINC001577941696 1075369094 /nfs/dbraw/zinc/36/90/94/1075369094.db2.gz DAUCPLVTJNNOMC-WCQYABFASA-N 1 1 380.405 -1.809 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)C[C@H]2COC(=O)C2)CCO1)NCc1c[nH]nn1 ZINC001577941698 1075369255 /nfs/dbraw/zinc/36/92/55/1075369255.db2.gz DAUCPLVTJNNOMC-YPMHNXCESA-N 1 1 380.405 -1.809 20 0 GAADMO O=C(C[NH2+]CCC1CCN(C(=O)Cn2cnnn2)CC1)NCc1c[nH]nn1 ZINC001577941712 1075369271 /nfs/dbraw/zinc/36/92/71/1075369271.db2.gz DFQVCHOWSRQGMK-UHFFFAOYSA-N 1 1 376.425 -1.674 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)CN2CCCC2=O)CCO1)NCc1c[nH]nn1 ZINC001577941730 1075369139 /nfs/dbraw/zinc/36/91/39/1075369139.db2.gz DNRXSWYLFYMAGP-CYBMUJFWSA-N 1 1 379.421 -2.140 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)CN2CCCC2=O)CCO1)NCc1c[nH]nn1 ZINC001577941732 1075369127 /nfs/dbraw/zinc/36/91/27/1075369127.db2.gz DNRXSWYLFYMAGP-ZDUSSCGKSA-N 1 1 379.421 -2.140 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCCCN1C(=O)CN1C(=O)CCC1=O)NCc1c[nH]nn1 ZINC001577941808 1075369228 /nfs/dbraw/zinc/36/92/28/1075369228.db2.gz FVGPYALQHONCFQ-CYBMUJFWSA-N 1 1 391.432 -1.459 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCCCN1C(=O)CN1C(=O)CCC1=O)NCc1c[nH]nn1 ZINC001577941809 1075369185 /nfs/dbraw/zinc/36/91/85/1075369185.db2.gz FVGPYALQHONCFQ-ZDUSSCGKSA-N 1 1 391.432 -1.459 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O)NCc1c[nH]nn1 ZINC001577941831 1075369242 /nfs/dbraw/zinc/36/92/42/1075369242.db2.gz GIVDYKZEKVQPAF-GFCCVEGCSA-N 1 1 392.420 -2.057 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O)NCc1c[nH]nn1 ZINC001577941832 1075369078 /nfs/dbraw/zinc/36/90/78/1075369078.db2.gz GIVDYKZEKVQPAF-LBPRGKRZSA-N 1 1 392.420 -2.057 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)C2CCC(O)CC2)CCO1)NCc1c[nH]nn1 ZINC001577942007 1075369060 /nfs/dbraw/zinc/36/90/60/1075369060.db2.gz IECLJHGVXFYPCY-PESDSKBTSA-N 1 1 380.449 -1.211 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)C2CCC(O)CC2)CCO1)NCc1c[nH]nn1 ZINC001577942008 1075369200 /nfs/dbraw/zinc/36/92/00/1075369200.db2.gz IECLJHGVXFYPCY-ZALBZXLWSA-N 1 1 380.449 -1.211 20 0 GAADMO O=C(C[NH2+]C/C=C/CNC(=O)CN1CCCS1(=O)=O)NCc1c[nH]nn1 ZINC001577942050 1075369113 /nfs/dbraw/zinc/36/91/13/1075369113.db2.gz JDVOTJTUIQXDEQ-OWOJBTEDSA-N 1 1 385.450 -2.282 20 0 GAADMO O=C(C[NH2+]C/C=C\CNC(=O)CN1CCCS1(=O)=O)NCc1c[nH]nn1 ZINC001577942051 1075369215 /nfs/dbraw/zinc/36/92/15/1075369215.db2.gz JDVOTJTUIQXDEQ-UPHRSURJSA-N 1 1 385.450 -2.282 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)NCc1c[nH]nn1 ZINC001577942086 1075369160 /nfs/dbraw/zinc/36/91/60/1075369160.db2.gz JWIACYXLLCTOLG-JTQLQIEISA-N 1 1 378.393 -2.589 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)NCc1c[nH]nn1 ZINC001577942087 1075369647 /nfs/dbraw/zinc/36/96/47/1075369647.db2.gz JWIACYXLLCTOLG-SNVBAGLBSA-N 1 1 378.393 -2.589 20 0 GAADMO O=C(C[NH2+]CC1CCN(C(=O)Cc2[nH]c(O)nc2O)CC1)NCc1cnn[nH]1 ZINC001577942211 1075369560 /nfs/dbraw/zinc/36/95/60/1075369560.db2.gz KEFANMYEPJHZMP-LBPRGKRZSA-N 1 1 392.420 -2.153 20 0 GAADMO O=C(C[NH2+]CC1CC(NC(=O)c2ccc3nnnn3c2)C1)NCc1c[nH]nn1 ZINC001577942241 1075369510 /nfs/dbraw/zinc/36/95/10/1075369510.db2.gz KYSRIQJCRSBUDL-UHFFFAOYSA-N 1 1 384.404 -1.343 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1)NCc1c[nH]nn1 ZINC001577942249 1075369615 /nfs/dbraw/zinc/36/96/15/1075369615.db2.gz LDAQFXUKEGMJDI-PBHICJAKSA-N 1 1 392.460 -1.209 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1)NCc1c[nH]nn1 ZINC001577942250 1075369489 /nfs/dbraw/zinc/36/94/89/1075369489.db2.gz LDAQFXUKEGMJDI-RHSMWYFYSA-N 1 1 392.460 -1.209 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1)NCc1c[nH]nn1 ZINC001577942251 1075369606 /nfs/dbraw/zinc/36/96/06/1075369606.db2.gz LDAQFXUKEGMJDI-WMLDXEAASA-N 1 1 392.460 -1.209 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1)NCc1c[nH]nn1 ZINC001577942252 1075369582 /nfs/dbraw/zinc/36/95/82/1075369582.db2.gz LDAQFXUKEGMJDI-YOEHRIQHSA-N 1 1 392.460 -1.209 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCN(C(=O)c2cccn3nnnc23)C1)NCc1c[nH]nn1 ZINC001577942291 1075369637 /nfs/dbraw/zinc/36/96/37/1075369637.db2.gz MADIXEWIEFWXJZ-LLVKDONJSA-N 1 1 384.404 -1.390 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1)NCc1c[nH]nn1 ZINC001577942292 1075369535 /nfs/dbraw/zinc/36/95/35/1075369535.db2.gz MADIXEWIEFWXJZ-NSHDSACASA-N 1 1 384.404 -1.390 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCOC2)CC1)NCc1c[nH]nn1 ZINC001577942312 1075369626 /nfs/dbraw/zinc/36/96/26/1075369626.db2.gz MEGGCEHSDRPZEB-CYBMUJFWSA-N 1 1 380.449 -1.209 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCOC2)CC1)NCc1c[nH]nn1 ZINC001577942314 1075369465 /nfs/dbraw/zinc/36/94/65/1075369465.db2.gz MEGGCEHSDRPZEB-ZDUSSCGKSA-N 1 1 380.449 -1.209 20 0 GAADMO O=C(C[NH2+]CC[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)NCc1c[nH]nn1 ZINC001577942414 1075369672 /nfs/dbraw/zinc/36/96/72/1075369672.db2.gz NCQVKXRHNAOUOA-CYBMUJFWSA-N 1 1 377.449 -1.225 20 0 GAADMO O=C(C[NH2+]CC[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1)NCc1c[nH]nn1 ZINC001577942418 1075369593 /nfs/dbraw/zinc/36/95/93/1075369593.db2.gz NCQVKXRHNAOUOA-ZDUSSCGKSA-N 1 1 377.449 -1.225 20 0 GAADMO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)C1)NCc1c[nH]nn1 ZINC001577942487 1075369571 /nfs/dbraw/zinc/36/95/71/1075369571.db2.gz OHDKINPTGCKMKP-KBPBESRZSA-N 1 1 379.465 -1.372 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)C1)NCc1c[nH]nn1 ZINC001577942488 1075369522 /nfs/dbraw/zinc/36/95/22/1075369522.db2.gz OHDKINPTGCKMKP-KGLIPLIRSA-N 1 1 379.465 -1.372 20 0 GAADMO O=C(C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)C1)NCc1c[nH]nn1 ZINC001577942489 1075369547 /nfs/dbraw/zinc/36/95/47/1075369547.db2.gz OHDKINPTGCKMKP-UONOGXRCSA-N 1 1 379.465 -1.372 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)C1)NCc1c[nH]nn1 ZINC001577942490 1075369481 /nfs/dbraw/zinc/36/94/81/1075369481.db2.gz OHDKINPTGCKMKP-ZIAGYGMSSA-N 1 1 379.465 -1.372 20 0 GAADMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCc2nncn2CC1)NCc1c[nH]nn1 ZINC001577942512 1075369501 /nfs/dbraw/zinc/36/95/01/1075369501.db2.gz OPIKTAUHXJQEBI-GFCCVEGCSA-N 1 1 375.437 -1.239 20 0 GAADMO O=C(C[NH2+]CCCNC(=O)[C@H]1CCc2nncn2CC1)NCc1c[nH]nn1 ZINC001577942513 1075369662 /nfs/dbraw/zinc/36/96/62/1075369662.db2.gz OPIKTAUHXJQEBI-LBPRGKRZSA-N 1 1 375.437 -1.239 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577942563 1075369938 /nfs/dbraw/zinc/36/99/38/1075369938.db2.gz PFBBXOJVUYWGOQ-JTQLQIEISA-N 1 1 377.405 -2.088 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577942565 1075370054 /nfs/dbraw/zinc/37/00/54/1075370054.db2.gz PFBBXOJVUYWGOQ-SNVBAGLBSA-N 1 1 377.405 -2.088 20 0 GAADMO O=C(C[NH2+]CC1CC(NC(=O)[C@H]2CCc3nncn3C2)C1)NCc1c[nH]nn1 ZINC001577942645 1075369989 /nfs/dbraw/zinc/36/99/89/1075369989.db2.gz QFRCGFQMFWXALN-CPCZMJQVSA-N 1 1 387.448 -1.241 20 0 GAADMO O=C(C[NH2+]CC1CC(NC(=O)[C@@H]2CCc3nncn3C2)C1)NCc1c[nH]nn1 ZINC001577942647 1075370013 /nfs/dbraw/zinc/37/00/13/1075370013.db2.gz QFRCGFQMFWXALN-OTTFEQOBSA-N 1 1 387.448 -1.241 20 0 GAADMO O=C(C[NH2+]CC1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1)NCc1c[nH]nn1 ZINC001577942726 1075370092 /nfs/dbraw/zinc/37/00/92/1075370092.db2.gz QTCQDWHGNCAQGJ-HSOILSAZSA-N 1 1 377.405 -2.042 20 0 GAADMO O=C(C[NH2+]CC1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1)NCc1c[nH]nn1 ZINC001577942727 1075370007 /nfs/dbraw/zinc/37/00/07/1075370007.db2.gz QTCQDWHGNCAQGJ-YVNMAJEFSA-N 1 1 377.405 -2.042 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COCCO2)CCCO1)NCc1c[nH]nn1 ZINC001577942839 1075370039 /nfs/dbraw/zinc/37/00/39/1075370039.db2.gz SAZANASHUGURMJ-KBPBESRZSA-N 1 1 382.421 -1.957 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCCO1)NCc1c[nH]nn1 ZINC001577942840 1075369978 /nfs/dbraw/zinc/36/99/78/1075369978.db2.gz SAZANASHUGURMJ-KGLIPLIRSA-N 1 1 382.421 -1.957 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)[C@H]2COCCO2)CCCO1)NCc1c[nH]nn1 ZINC001577942841 1075369997 /nfs/dbraw/zinc/36/99/97/1075369997.db2.gz SAZANASHUGURMJ-UONOGXRCSA-N 1 1 382.421 -1.957 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCO2)CCCO1)NCc1c[nH]nn1 ZINC001577942842 1075370076 /nfs/dbraw/zinc/37/00/76/1075370076.db2.gz SAZANASHUGURMJ-ZIAGYGMSSA-N 1 1 382.421 -1.957 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1)NCc1c[nH]nn1 ZINC001577942886 1075370103 /nfs/dbraw/zinc/37/01/03/1075370103.db2.gz SZAFQGYRVMGQAR-GFCCVEGCSA-N 1 1 379.421 -2.282 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)NCc1c[nH]nn1 ZINC001577942887 1075369968 /nfs/dbraw/zinc/36/99/68/1075369968.db2.gz SZAFQGYRVMGQAR-LBPRGKRZSA-N 1 1 379.421 -2.282 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1)NCc1c[nH]nn1 ZINC001577942925 1075369953 /nfs/dbraw/zinc/36/99/53/1075369953.db2.gz UTZUNJQOXRGCKQ-LLVKDONJSA-N 1 1 376.377 -2.365 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1)NCc1c[nH]nn1 ZINC001577942926 1075370027 /nfs/dbraw/zinc/37/00/27/1075370027.db2.gz UTZUNJQOXRGCKQ-NSHDSACASA-N 1 1 376.377 -2.365 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCO1)NCc1c[nH]nn1 ZINC001577942994 1075369923 /nfs/dbraw/zinc/36/99/23/1075369923.db2.gz WHDMOPADZOJCRF-GFCCVEGCSA-N 1 1 378.397 -2.685 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCO1)NCc1c[nH]nn1 ZINC001577942995 1075370064 /nfs/dbraw/zinc/37/00/64/1075370064.db2.gz WHDMOPADZOJCRF-LBPRGKRZSA-N 1 1 378.397 -2.685 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1)NCc1c[nH]nn1 ZINC001577943032 1075370487 /nfs/dbraw/zinc/37/04/87/1075370487.db2.gz XJCYZUNORIZYOU-LLVKDONJSA-N 1 1 384.404 -1.390 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1)NCc1c[nH]nn1 ZINC001577943033 1075370406 /nfs/dbraw/zinc/37/04/06/1075370406.db2.gz XJCYZUNORIZYOU-NSHDSACASA-N 1 1 384.404 -1.390 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)c2csnn2)CC1)NCc1c[nH]nn1 ZINC001577943034 1075370542 /nfs/dbraw/zinc/37/05/42/1075370542.db2.gz XNLBEAGYXHCDHA-UHFFFAOYSA-N 1 1 380.434 -1.471 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577943040 1075370333 /nfs/dbraw/zinc/37/03/33/1075370333.db2.gz XSJIROCGFVFLBI-JQWIXIFHSA-N 1 1 392.420 -2.153 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577943041 1075370471 /nfs/dbraw/zinc/37/04/71/1075370471.db2.gz XSJIROCGFVFLBI-PWSUYJOCSA-N 1 1 392.420 -2.153 20 0 GAADMO O=C(C[NH2+]CC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1)NCc1c[nH]nn1 ZINC001577943046 1075370500 /nfs/dbraw/zinc/37/05/00/1075370500.db2.gz XTPYSSZVNFHWRZ-UHFFFAOYSA-N 1 1 376.421 -1.670 20 0 GAADMO O=C(C[NH2+]C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCCO1)NCc1c[nH]nn1 ZINC001577943065 1075370359 /nfs/dbraw/zinc/37/03/59/1075370359.db2.gz YCAAYSCNGQGHJN-HNNXBMFYSA-N 1 1 389.416 -1.425 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCCO1)NCc1c[nH]nn1 ZINC001577943066 1075370532 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-1.527 20 0 GAADMO O=C(C[NH2+]CCN(CCO)C(=O)c1cnn2cccnc12)NCc1c[nH]nn1 ZINC001577945036 1075370434 /nfs/dbraw/zinc/37/04/34/1075370434.db2.gz CFXTXLFMBRSZSP-UHFFFAOYSA-N 1 1 387.404 -1.812 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]c(O)nc1O)NCc1cnn[nH]1 ZINC001577945048 1075370549 /nfs/dbraw/zinc/37/05/49/1075370549.db2.gz COBBIWFDGGCFJL-NEPJUHHUSA-N 1 1 392.420 -2.010 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]c(O)nc1O)NCc1cnn[nH]1 ZINC001577945049 1075370346 /nfs/dbraw/zinc/37/03/46/1075370346.db2.gz COBBIWFDGGCFJL-VXGBXAGGSA-N 1 1 392.420 -2.010 20 0 GAADMO O=C(C[NH2+]CCCNC(=O)c1ccc(-n2cncn2)nc1)NCc1c[nH]nn1 ZINC001577945075 1075370377 /nfs/dbraw/zinc/37/03/77/1075370377.db2.gz DSZOTNXEGXNWCX-UHFFFAOYSA-N 1 1 384.404 -1.194 20 0 GAADMO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NCc1c[nH]nn1 ZINC001577945092 1075370383 /nfs/dbraw/zinc/37/03/83/1075370383.db2.gz FQIBDNVVOHQGRS-VERFIZQUSA-N 1 1 392.460 -1.043 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1)NCc1c[nH]nn1 ZINC001577945346 1075370520 /nfs/dbraw/zinc/37/05/20/1075370520.db2.gz HQBJYZVFSBYFHB-LLVKDONJSA-N 1 1 392.420 -2.057 20 0 GAADMO O=C(C[NH2+]CCCNC(=O)c1cncc(-n2ccnn2)c1)NCc1c[nH]nn1 ZINC001577945373 1075370510 /nfs/dbraw/zinc/37/05/10/1075370510.db2.gz HYZXPLOZVYMZBI-UHFFFAOYSA-N 1 1 384.404 -1.194 20 0 GAADMO O=C(C[NH2+]CCN(CCO)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1c[nH]nn1 ZINC001577945404 1075370795 /nfs/dbraw/zinc/37/07/95/1075370795.db2.gz IROWBNHSANKFNQ-DUVNUKRYSA-N 1 1 380.449 -1.354 20 0 GAADMO O=C(C[NH2+]CCN(CCO)C(=O)c1cccc2ncnn21)NCc1c[nH]nn1 ZINC001577945410 1075370998 /nfs/dbraw/zinc/37/09/98/1075370998.db2.gz ITCWEVXGSHMQBV-UHFFFAOYSA-N 1 1 387.404 -1.812 20 0 GAADMO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CC1)NCc1c[nH]nn1 ZINC001577945448 1075370808 /nfs/dbraw/zinc/37/08/08/1075370808.db2.gz JIZWBUSSFQWJKY-HAQNSBGRSA-N 1 1 376.425 -1.628 20 0 GAADMO O=C(C[NH2+]CCCNC(=O)c1ccc2c(c1)C(=O)NC2=O)NCc1c[nH]nn1 ZINC001577945452 1075370884 /nfs/dbraw/zinc/37/08/84/1075370884.db2.gz JKUFTPBONHHZHO-UHFFFAOYSA-N 1 1 385.384 -1.286 20 0 GAADMO O=C(C[NH2+]CCN(CCO)C(=O)c1occ2c1CCOC2)NCc1c[nH]nn1 ZINC001577945462 1075370783 /nfs/dbraw/zinc/37/07/83/1075370783.db2.gz JPFZBGFFPIRGJV-UHFFFAOYSA-N 1 1 392.416 -1.189 20 0 GAADMO O=C(C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)NCc1c[nH]nn1 ZINC001577945750 1075370942 /nfs/dbraw/zinc/37/09/42/1075370942.db2.gz LLUYJDFPWOVMLP-CYBMUJFWSA-N 1 1 377.449 -1.225 20 0 GAADMO O=C(C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)NCc1c[nH]nn1 ZINC001577945752 1075370990 /nfs/dbraw/zinc/37/09/90/1075370990.db2.gz LLUYJDFPWOVMLP-ZDUSSCGKSA-N 1 1 377.449 -1.225 20 0 GAADMO O=C(C[NH2+]CCN(CCO)C(=O)c1cc2ncccn2n1)NCc1c[nH]nn1 ZINC001577945774 1075370894 /nfs/dbraw/zinc/37/08/94/1075370894.db2.gz LUDBAGTUARTCRZ-UHFFFAOYSA-N 1 1 387.404 -1.812 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577945797 1075370953 /nfs/dbraw/zinc/37/09/53/1075370953.db2.gz MREBADIVFIVCGN-GFCCVEGCSA-N 1 1 378.437 -2.567 20 0 GAADMO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)CCN2CCOCC2)C1)NCc1c[nH]nn1 ZINC001577946084 1075370862 /nfs/dbraw/zinc/37/08/62/1075370862.db2.gz OUNQCJACDDCYLC-HDJSIYSDSA-N 1 1 379.465 -1.372 20 0 GAADMO O=C(C[NH2+]CCN(CCO)C(=O)c1ccc2nnnn2c1)NCc1c[nH]nn1 ZINC001577946126 1075370848 /nfs/dbraw/zinc/37/08/48/1075370848.db2.gz PUMNWTDHBYAMCE-UHFFFAOYSA-N 1 1 388.392 -2.417 20 0 GAADMO O=C(C[NH2+]CCN(CCO)C(=O)c1ccc2nccn2c1)NCc1c[nH]nn1 ZINC001577946145 1075370920 /nfs/dbraw/zinc/37/09/20/1075370920.db2.gz QQDBCGJQJVTNPG-UHFFFAOYSA-N 1 1 386.416 -1.207 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCC(F)F)NCc1c[nH]nn1 ZINC001577946160 1075370831 /nfs/dbraw/zinc/37/08/31/1075370831.db2.gz REIAIOKNMADHEA-NSHDSACASA-N 1 1 387.391 -1.227 20 0 GAADMO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCNC1=O)NCc1c[nH]nn1 ZINC001577946465 1075370961 /nfs/dbraw/zinc/37/09/61/1075370961.db2.gz SVBJYUXSKNCKNR-CYBMUJFWSA-N 1 1 378.437 -1.583 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1)NCc1c[nH]nn1 ZINC001577946480 1075370821 /nfs/dbraw/zinc/37/08/21/1075370821.db2.gz UDBBXELKJUKRLN-GFCCVEGCSA-N 1 1 384.404 -1.247 20 0 GAADMO O=C(C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577946481 1075370928 /nfs/dbraw/zinc/37/09/28/1075370928.db2.gz UEUJZKDVGRYSBN-OBJOEFQTSA-N 1 1 392.464 -1.386 20 0 GAADMO O=C(C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577946482 1075370982 /nfs/dbraw/zinc/37/09/82/1075370982.db2.gz UEUJZKDVGRYSBN-YRGRVCCFSA-N 1 1 392.464 -1.386 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCN(C(=O)c2ccnc3n[nH]nc32)C1)NCc1c[nH]nn1 ZINC001577946483 1075370840 /nfs/dbraw/zinc/37/08/40/1075370840.db2.gz UFKGGIYWITUGRD-SNVBAGLBSA-N 1 1 384.404 -1.018 20 0 GAADMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1)NCc1c[nH]nn1 ZINC001577946494 1075370971 /nfs/dbraw/zinc/37/09/71/1075370971.db2.gz UNTJRWUGIUFNGG-AWEZNQCLSA-N 1 1 377.449 -1.082 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c(O)nc1O)NCc1cnn[nH]1 ZINC001577946509 1075371326 /nfs/dbraw/zinc/37/13/26/1075371326.db2.gz VHCBXNFOSPWOFU-UTUOFQBUSA-N 1 1 392.420 -1.964 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCNC1=O)NCc1c[nH]nn1 ZINC001577946512 1075371271 /nfs/dbraw/zinc/37/12/71/1075371271.db2.gz VJANGWLPAMNEOZ-BFHYXJOUSA-N 1 1 377.449 -1.036 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCNC1=O)NCc1c[nH]nn1 ZINC001577946513 1075371369 /nfs/dbraw/zinc/37/13/69/1075371369.db2.gz VJANGWLPAMNEOZ-MGPQQGTHSA-N 1 1 377.449 -1.036 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CCNC1=O)NCc1c[nH]nn1 ZINC001577946613 1075371318 /nfs/dbraw/zinc/37/13/18/1075371318.db2.gz XRQKABCBMSOWMT-JSGCOSHPSA-N 1 1 377.449 -1.082 20 0 GAADMO O=C(C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CCNC1=O)NCc1c[nH]nn1 ZINC001577946614 1075371278 /nfs/dbraw/zinc/37/12/78/1075371278.db2.gz XRQKABCBMSOWMT-OCCSQVGLSA-N 1 1 377.449 -1.082 20 0 GAADMO O=C(C[NH2+]CCN(CCO)C(=O)c1ccc2cccnn21)NCc1c[nH]nn1 ZINC001577946683 1075371333 /nfs/dbraw/zinc/37/13/33/1075371333.db2.gz ZPHHKPCHZALBGW-UHFFFAOYSA-N 1 1 386.416 -1.207 20 0 GAADMO O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O)NCc1c[nH]nn1 ZINC001577946696 1075371338 /nfs/dbraw/zinc/37/13/38/1075371338.db2.gz ZYINIGAUBHAMIL-VXGBXAGGSA-N 1 1 392.420 -2.010 20 0 GAADMO O=C(C[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1)NCc1c[nH]nn1 ZINC001577948136 1075371307 /nfs/dbraw/zinc/37/13/07/1075371307.db2.gz BNZOQCCHYGRPCE-LLVKDONJSA-N 1 1 392.420 -2.057 20 0 GAADMO O=C(C[NH2+][C@H]1CCN(C(=O)COCc2cc[nH]c(=O)c2)C1)NCc1c[nH]nn1 ZINC001577948162 1075371311 /nfs/dbraw/zinc/37/13/11/1075371311.db2.gz CIROWHBHBBPLOR-ZDUSSCGKSA-N 1 1 389.416 -1.071 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1)NCc1c[nH]nn1 ZINC001577948167 1075371297 /nfs/dbraw/zinc/37/12/97/1075371297.db2.gz COSRDFGQOFHIPV-MGCOHNPYSA-N 1 1 384.404 -1.115 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)c2ccncc2)C1)NCc1c[nH]nn1 ZINC001577948170 1075371302 /nfs/dbraw/zinc/37/13/02/1075371302.db2.gz CSBALNRRJVRWQB-JOCQHMNTSA-N 1 1 386.416 -1.517 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1)NCc1c[nH]nn1 ZINC001577948204 1075371294 /nfs/dbraw/zinc/37/12/94/1075371294.db2.gz FCRYPEDWKIZKQD-GARJFASQSA-N 1 1 389.420 -1.783 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1)NCc1c[nH]nn1 ZINC001577948205 1075371285 /nfs/dbraw/zinc/37/12/85/1075371285.db2.gz FCRYPEDWKIZKQD-MXWKQRLJSA-N 1 1 389.420 -1.783 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1)NCc1c[nH]nn1 ZINC001577948219 1075371352 /nfs/dbraw/zinc/37/13/52/1075371352.db2.gz FKYRGZOLGMUKRT-GVXVVHGQSA-N 1 1 384.462 -1.375 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1)NCc1c[nH]nn1 ZINC001577948220 1075371264 /nfs/dbraw/zinc/37/12/64/1075371264.db2.gz FKYRGZOLGMUKRT-NQBHXWOUSA-N 1 1 384.462 -1.375 20 0 GAADMO O=C(C[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)C1)NCc1c[nH]nn1 ZINC001577948368 1075371248 /nfs/dbraw/zinc/37/12/48/1075371248.db2.gz LJXULNMOBASUKH-GFCCVEGCSA-N 1 1 391.432 -1.459 20 0 GAADMO O=C(C[NH2+][C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577948412 1075371376 /nfs/dbraw/zinc/37/13/76/1075371376.db2.gz MFCNNCRDSLENQP-NSHDSACASA-N 1 1 377.405 -1.946 20 0 GAADMO O=C(C[NH2+][C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577948509 1075371344 /nfs/dbraw/zinc/37/13/44/1075371344.db2.gz MREBADIVFIVCGN-LBPRGKRZSA-N 1 1 378.437 -2.567 20 0 GAADMO O=C(CCN1C(=O)CCC1=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001577948616 1075371643 /nfs/dbraw/zinc/37/16/43/1075371643.db2.gz RAEDJFKMAABBNE-TXEJJXNPSA-N 1 1 391.432 -1.556 20 0 GAADMO O=C(C[NH2+][C@@H]1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1)NCc1c[nH]nn1 ZINC001577948746 1075371683 /nfs/dbraw/zinc/37/16/83/1075371683.db2.gz UUZYTMTYOVYVHE-LLVKDONJSA-N 1 1 385.388 -1.327 20 0 GAADMO O=C(C[NH2+][C@H]1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1)NCc1c[nH]nn1 ZINC001577948747 1075371808 /nfs/dbraw/zinc/37/18/08/1075371808.db2.gz UUZYTMTYOVYVHE-NSHDSACASA-N 1 1 385.388 -1.327 20 0 GAADMO O=C(C[NH2+][C@H]1CCN(C(=O)Cn2nnc3c2CCCC3)C1)NCc1c[nH]nn1 ZINC001577948770 1075371765 /nfs/dbraw/zinc/37/17/65/1075371765.db2.gz VTAZSVQSXSSVRJ-LBPRGKRZSA-N 1 1 387.448 -1.218 20 0 GAADMO O=C(C[NH2+][C@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1)NCc1c[nH]nn1 ZINC001577948803 1075371697 /nfs/dbraw/zinc/37/16/97/1075371697.db2.gz WOCUJGVILJRPBM-NSHDSACASA-N 1 1 384.404 -1.708 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1)NCc1c[nH]nn1 ZINC001577948806 1075371635 /nfs/dbraw/zinc/37/16/35/1075371635.db2.gz WQBZECSPBBQTCG-JGZJWPJOSA-N 1 1 384.404 -1.115 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1)NCc1c[nH]nn1 ZINC001577948904 1075371829 /nfs/dbraw/zinc/37/18/29/1075371829.db2.gz WZVRQGKUXKJSLR-AOOOYVTPSA-N 1 1 384.404 -1.115 20 0 GAADMO O=C(C[NH2+][C@H]1CCCN(C(=O)c2ccc3n[nH]nc3n2)C1)NCc1c[nH]nn1 ZINC001577948955 1075371757 /nfs/dbraw/zinc/37/17/57/1075371757.db2.gz ZHFVRLGFJFLUGA-JTQLQIEISA-N 1 1 384.404 -1.018 20 0 GAADMO O=C(COC[C@H]1CCCO1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577951366 1075372267 /nfs/dbraw/zinc/37/22/67/1075372267.db2.gz CZSAONWROYQRDO-FPCVCCKLSA-N 1 1 392.460 -1.090 20 0 GAADMO O=C(COC[C@@H]1CCCO1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577951368 1075372285 /nfs/dbraw/zinc/37/22/85/1075372285.db2.gz CZSAONWROYQRDO-YHUYYLMFSA-N 1 1 392.460 -1.090 20 0 GAADMO O=C(COC[C@@H]1CCCO1)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577951368 1075372283 /nfs/dbraw/zinc/37/22/83/1075372283.db2.gz CZSAONWROYQRDO-YHUYYLMFSA-N 1 1 392.460 -1.090 20 0 GAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1)NCc1c[nH]nn1 ZINC001577952120 1075372252 /nfs/dbraw/zinc/37/22/52/1075372252.db2.gz LQQDXMRMQOKYRE-KWBADKCTSA-N 1 1 387.404 -1.963 20 0 GAADMO O=C(Cc1[nH]c(O)nc1O)NCCCCC[NH+]1CCN(Cc2cnn[nH]2)CC1 ZINC001577957754 1075372790 /nfs/dbraw/zinc/37/27/90/1075372790.db2.gz CITXJGIPIZOIDP-AWEZNQCLSA-N 1 1 392.464 -1.193 20 0 GAADMO O=C(Cc1nc2ncccn2n1)N[C@@]1(CO)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001577966702 1075373865 /nfs/dbraw/zinc/37/38/65/1075373865.db2.gz SZMVYAGSVUAYLV-KRWDZBQOSA-N 1 1 385.432 -1.029 20 0 GAADMO O=C(Cc1nc2ncccn2n1)N[C@@]1(CO)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001577966702 1075373860 /nfs/dbraw/zinc/37/38/60/1075373860.db2.gz SZMVYAGSVUAYLV-KRWDZBQOSA-N 1 1 385.432 -1.029 20 0 GAADMO O=C(Cc1nc2ncccn2n1)N[C@@]1(CO)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001577966702 1075373855 /nfs/dbraw/zinc/37/38/55/1075373855.db2.gz SZMVYAGSVUAYLV-KRWDZBQOSA-N 1 1 385.432 -1.029 20 0 GAADMO O=C(Cc1nc2ncccn2n1)N[C@@]1(CO)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001577966702 1075373853 /nfs/dbraw/zinc/37/38/53/1075373853.db2.gz SZMVYAGSVUAYLV-KRWDZBQOSA-N 1 1 385.432 -1.029 20 0 GAADMO O=C(Cc1nc2ncccn2n1)N[C@]1(CO)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001577966703 1075374039 /nfs/dbraw/zinc/37/40/39/1075374039.db2.gz SZMVYAGSVUAYLV-QGZVFWFLSA-N 1 1 385.432 -1.029 20 0 GAADMO O=C(Cc1nc2ncccn2n1)N[C@]1(CO)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001577966703 1075374035 /nfs/dbraw/zinc/37/40/35/1075374035.db2.gz SZMVYAGSVUAYLV-QGZVFWFLSA-N 1 1 385.432 -1.029 20 0 GAADMO O=C(Cc1nc2ncccn2n1)N[C@]1(CO)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001577966703 1075374030 /nfs/dbraw/zinc/37/40/30/1075374030.db2.gz SZMVYAGSVUAYLV-QGZVFWFLSA-N 1 1 385.432 -1.029 20 0 GAADMO O=C(Cc1nc2ncccn2n1)N[C@]1(CO)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001577966703 1075374026 /nfs/dbraw/zinc/37/40/26/1075374026.db2.gz SZMVYAGSVUAYLV-QGZVFWFLSA-N 1 1 385.432 -1.029 20 0 GAADMO O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1c[nH]nn1)C1CC[NH+](CCCO)CC1 ZINC001577967564 1075373924 /nfs/dbraw/zinc/37/39/24/1075373924.db2.gz GNZVLHBXMRRXKA-UHFFFAOYSA-N 1 1 391.432 -1.057 20 0 GAADMO O=C(Cn1ccccc1=O)N1CC(n2cc(C[NH2+]CCc3c[nH]nn3)nn2)C1 ZINC001577967875 1075374398 /nfs/dbraw/zinc/37/43/98/1075374398.db2.gz KYKQLBXIVYRASJ-UHFFFAOYSA-N 1 1 383.416 -1.026 20 0 GAADMO O=C(Cn1ncn2nccc2c1=O)N1C[C@H]2CC[N@@H+](CCc3cn[nH]n3)C[C@H]21 ZINC001577969037 1075374792 /nfs/dbraw/zinc/37/47/92/1075374792.db2.gz KBRLXFHCLOFOGE-IUODEOHRSA-N 1 1 383.416 -1.216 20 0 GAADMO O=C(Cn1ncn2nccc2c1=O)N1C[C@H]2CC[N@H+](CCc3cn[nH]n3)C[C@H]21 ZINC001577969037 1075374788 /nfs/dbraw/zinc/37/47/88/1075374788.db2.gz KBRLXFHCLOFOGE-IUODEOHRSA-N 1 1 383.416 -1.216 20 0 GAADMO O=C(Cn1ncn2nccc2c1=O)N1C[C@H]2CC[N@@H+](CCc3c[nH]nn3)C[C@H]21 ZINC001577969037 1075374783 /nfs/dbraw/zinc/37/47/83/1075374783.db2.gz KBRLXFHCLOFOGE-IUODEOHRSA-N 1 1 383.416 -1.216 20 0 GAADMO O=C(NC1(CO)CC[NH+](CCc2cn[nH]n2)CC1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001577977689 1075376524 /nfs/dbraw/zinc/37/65/24/1075376524.db2.gz VGMNEZUIZOOUGD-GFCCVEGCSA-N 1 1 390.448 -1.150 20 0 GAADMO O=C(NC1(CO)CC[NH+](CCc2cn[nH]n2)CC1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001577977691 1075376596 /nfs/dbraw/zinc/37/65/96/1075376596.db2.gz VGMNEZUIZOOUGD-LBPRGKRZSA-N 1 1 390.448 -1.150 20 0 GAADMO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001577987127 1075377133 /nfs/dbraw/zinc/37/71/33/1075377133.db2.gz HXGCUEQNRGCXIH-LLVKDONJSA-N 1 1 388.388 -1.901 20 0 GAADMO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001577987130 1075377193 /nfs/dbraw/zinc/37/71/93/1075377193.db2.gz HXGCUEQNRGCXIH-NSHDSACASA-N 1 1 388.388 -1.901 20 0 GAADMO O=C(NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001577988047 1075377152 /nfs/dbraw/zinc/37/71/52/1075377152.db2.gz MPOZLXWEIUKCDR-LLVKDONJSA-N 1 1 388.388 -1.901 20 0 GAADMO O=C(NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001577988050 1075377171 /nfs/dbraw/zinc/37/71/71/1075377171.db2.gz MPOZLXWEIUKCDR-NSHDSACASA-N 1 1 388.388 -1.901 20 0 GAADMO O=C(N[C@H]1CC[N@H+](CCc2cn[nH]n2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988670 1075377584 /nfs/dbraw/zinc/37/75/84/1075377584.db2.gz PSSRDORCCJYOJD-KBPBESRZSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@H]1CC[N@@H+](CCc2cn[nH]n2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988670 1075377579 /nfs/dbraw/zinc/37/75/79/1075377579.db2.gz PSSRDORCCJYOJD-KBPBESRZSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@H]1CC[N@H+](CCc2c[nH]nn2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988670 1075377573 /nfs/dbraw/zinc/37/75/73/1075377573.db2.gz PSSRDORCCJYOJD-KBPBESRZSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@@H]1CC[N@H+](CCc2cn[nH]n2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988671 1075377542 /nfs/dbraw/zinc/37/75/42/1075377542.db2.gz PSSRDORCCJYOJD-KGLIPLIRSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@@H]1CC[N@@H+](CCc2cn[nH]n2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988671 1075377538 /nfs/dbraw/zinc/37/75/38/1075377538.db2.gz PSSRDORCCJYOJD-KGLIPLIRSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@@H]1CC[N@H+](CCc2c[nH]nn2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988671 1075377535 /nfs/dbraw/zinc/37/75/35/1075377535.db2.gz PSSRDORCCJYOJD-KGLIPLIRSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@H]1CC[N@H+](CCc2cn[nH]n2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988672 1075377659 /nfs/dbraw/zinc/37/76/59/1075377659.db2.gz PSSRDORCCJYOJD-UONOGXRCSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@H]1CC[N@@H+](CCc2cn[nH]n2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988672 1075377657 /nfs/dbraw/zinc/37/76/57/1075377657.db2.gz PSSRDORCCJYOJD-UONOGXRCSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@H]1CC[N@H+](CCc2c[nH]nn2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988672 1075377655 /nfs/dbraw/zinc/37/76/55/1075377655.db2.gz PSSRDORCCJYOJD-UONOGXRCSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@@H]1CC[N@H+](CCc2cn[nH]n2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988673 1075377672 /nfs/dbraw/zinc/37/76/72/1075377672.db2.gz PSSRDORCCJYOJD-ZIAGYGMSSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@@H]1CC[N@@H+](CCc2cn[nH]n2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988673 1075377668 /nfs/dbraw/zinc/37/76/68/1075377668.db2.gz PSSRDORCCJYOJD-ZIAGYGMSSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(N[C@@H]1CC[N@H+](CCc2c[nH]nn2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988673 1075377666 /nfs/dbraw/zinc/37/76/66/1075377666.db2.gz PSSRDORCCJYOJD-ZIAGYGMSSA-N 1 1 391.436 -1.909 20 0 GAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)N1CCCC1 ZINC001577989602 1075377477 /nfs/dbraw/zinc/37/74/77/1075377477.db2.gz TXEOHJROURVGRE-CABCVRRESA-N 1 1 379.465 -1.542 20 0 GAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)N1CCCC1 ZINC001577989604 1075377499 /nfs/dbraw/zinc/37/74/99/1075377499.db2.gz TXEOHJROURVGRE-GJZGRUSLSA-N 1 1 379.465 -1.542 20 0 GAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001578001510 1075379019 /nfs/dbraw/zinc/37/90/19/1075379019.db2.gz JLQRZXNPLADYPI-HNNXBMFYSA-N 1 1 389.460 -1.034 20 0 GAADMO O=C(CCn1cnnn1)N1CCC[C@@H](C(=O)NCC[NH2+]Cc2cnn[nH]2)C1 ZINC001578009196 1075380909 /nfs/dbraw/zinc/38/09/09/1075380909.db2.gz KTOGKTDTJNIULC-GFCCVEGCSA-N 1 1 376.425 -1.674 20 0 GAADMO O=C(CCn1cnnn1)N1CCC[C@H](C(=O)NCC[NH2+]Cc2cnn[nH]2)C1 ZINC001578009197 1075380867 /nfs/dbraw/zinc/38/08/67/1075380867.db2.gz KTOGKTDTJNIULC-LBPRGKRZSA-N 1 1 376.425 -1.674 20 0 GAADMO O=C(NCC[NH2+]CCc1c[nH]nn1)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001578009243 1075380849 /nfs/dbraw/zinc/38/08/49/1075380849.db2.gz LNNYSQUHTQHKCR-GFCCVEGCSA-N 1 1 388.432 -1.311 20 0 GAADMO O=C(NCC[NH2+]CCc1c[nH]nn1)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001578009245 1075380814 /nfs/dbraw/zinc/38/08/14/1075380814.db2.gz LNNYSQUHTQHKCR-LBPRGKRZSA-N 1 1 388.432 -1.311 20 0 GAADMO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001578009592 1075381259 /nfs/dbraw/zinc/38/12/59/1075381259.db2.gz PCILISHVGQEWAI-GFCCVEGCSA-N 1 1 387.400 -1.304 20 0 GAADMO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001578009594 1075381309 /nfs/dbraw/zinc/38/13/09/1075381309.db2.gz PCILISHVGQEWAI-LBPRGKRZSA-N 1 1 387.400 -1.304 20 0 GAADMO O=C(Cc1nnc[nH]1)N1CCC[C@@H](C(=O)NCC[NH2+]CCc2c[nH]nn2)C1 ZINC001578009843 1075381266 /nfs/dbraw/zinc/38/12/66/1075381266.db2.gz QETPAQGMYGCMNL-GFCCVEGCSA-N 1 1 375.437 -1.348 20 0 GAADMO O=C(Cc1nnc[nH]1)N1CCC[C@H](C(=O)NCC[NH2+]CCc2c[nH]nn2)C1 ZINC001578009844 1075381177 /nfs/dbraw/zinc/38/11/77/1075381177.db2.gz QETPAQGMYGCMNL-LBPRGKRZSA-N 1 1 375.437 -1.348 20 0 GAADMO O=C(NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001578009932 1075381217 /nfs/dbraw/zinc/38/12/17/1075381217.db2.gz MWIQHDLDWQIZAL-CYBMUJFWSA-N 1 1 389.464 -1.012 20 0 GAADMO O=C(NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001578009934 1075381282 /nfs/dbraw/zinc/38/12/82/1075381282.db2.gz MWIQHDLDWQIZAL-ZDUSSCGKSA-N 1 1 389.464 -1.012 20 0 GAADMO O=C(CCOCc1c[nH]nn1)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001578018981 1075381591 /nfs/dbraw/zinc/38/15/91/1075381591.db2.gz CMGRXLGRYLQPRW-OAGGEKHMSA-N 1 1 392.460 -1.259 20 0 GAADMO O=C(CCOCc1c[nH]nn1)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001578018982 1075381720 /nfs/dbraw/zinc/38/17/20/1075381720.db2.gz CMGRXLGRYLQPRW-XHSDSOJGSA-N 1 1 392.460 -1.259 20 0 GAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ccc(-c2c[nH]nn2)cc1 ZINC001578019389 1075381984 /nfs/dbraw/zinc/38/19/84/1075381984.db2.gz NAINSYFVSNXNNZ-HUUCEWRRSA-N 1 1 399.411 -1.202 20 0 GAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ccc(-c2c[nH]nn2)cc1 ZINC001578019389 1075381979 /nfs/dbraw/zinc/38/19/79/1075381979.db2.gz NAINSYFVSNXNNZ-HUUCEWRRSA-N 1 1 399.411 -1.202 20 0 GAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2c[nH]nn2)cn1 ZINC001578019516 1075381923 /nfs/dbraw/zinc/38/19/23/1075381923.db2.gz PCAYJYJUUQDDBI-IAOVAPTHSA-N 1 1 398.427 -1.101 20 0 GAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2c[nH]nn2)cn1 ZINC001578019517 1075382141 /nfs/dbraw/zinc/38/21/41/1075382141.db2.gz PCAYJYJUUQDDBI-KBRIMQKVSA-N 1 1 398.427 -1.101 20 0 GAADMO O=C([C@@H]1CCCN1Cc1c[nH]nn1)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001578027561 1075382991 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CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579008038 1075468202 /nfs/dbraw/zinc/46/82/02/1075468202.db2.gz KCPVEWYNQQXEOP-GFCCVEGCSA-N 1 1 376.421 -1.162 20 0 GAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579008039 1075468313 /nfs/dbraw/zinc/46/83/13/1075468313.db2.gz KCPVEWYNQQXEOP-LBPRGKRZSA-N 1 1 376.421 -1.162 20 0 GAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579008039 1075468310 /nfs/dbraw/zinc/46/83/10/1075468310.db2.gz KCPVEWYNQQXEOP-LBPRGKRZSA-N 1 1 376.421 -1.162 20 0 GAADMO CN(CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001579008085 1075468279 /nfs/dbraw/zinc/46/82/79/1075468279.db2.gz LEGBVUASLRLYDS-JTQLQIEISA-N 1 1 380.434 -1.152 20 0 GAADMO CN(CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001579008086 1075468722 /nfs/dbraw/zinc/46/87/22/1075468722.db2.gz LEGBVUASLRLYDS-SNVBAGLBSA-N 1 1 380.434 -1.152 20 0 GAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCC1 ZINC001579008108 1075468556 /nfs/dbraw/zinc/46/85/56/1075468556.db2.gz LVYQGLBPNCHTCH-LLVKDONJSA-N 1 1 376.421 -1.114 20 0 GAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCC1 ZINC001579008109 1075468583 /nfs/dbraw/zinc/46/85/83/1075468583.db2.gz LVYQGLBPNCHTCH-NSHDSACASA-N 1 1 376.421 -1.114 20 0 GAADMO C[N@@H+](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001579008115 1075468571 /nfs/dbraw/zinc/46/85/71/1075468571.db2.gz MAYDTBKWXPBGPN-LLVKDONJSA-N 1 1 377.453 -1.055 20 0 GAADMO C[N@H+](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001579008115 1075468567 /nfs/dbraw/zinc/46/85/67/1075468567.db2.gz MAYDTBKWXPBGPN-LLVKDONJSA-N 1 1 377.453 -1.055 20 0 GAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001579008116 1075468629 /nfs/dbraw/zinc/46/86/29/1075468629.db2.gz MAYDTBKWXPBGPN-NSHDSACASA-N 1 1 377.453 -1.055 20 0 GAADMO C[N@H+](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001579008116 1075468625 /nfs/dbraw/zinc/46/86/25/1075468625.db2.gz MAYDTBKWXPBGPN-NSHDSACASA-N 1 1 377.453 -1.055 20 0 GAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCC1 ZINC001579008140 1075468735 /nfs/dbraw/zinc/46/87/35/1075468735.db2.gz MZTHMJFIDNIIBC-GFCCVEGCSA-N 1 1 376.421 -1.114 20 0 GAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCC1 ZINC001579008141 1075468644 /nfs/dbraw/zinc/46/86/44/1075468644.db2.gz MZTHMJFIDNIIBC-LBPRGKRZSA-N 1 1 376.421 -1.114 20 0 GAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC1 ZINC001579008156 1075468698 /nfs/dbraw/zinc/46/86/98/1075468698.db2.gz NPCFMXQSBRLDMG-GFCCVEGCSA-N 1 1 376.421 -1.114 20 0 GAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC1 ZINC001579008157 1075468744 /nfs/dbraw/zinc/46/87/44/1075468744.db2.gz NPCFMXQSBRLDMG-LBPRGKRZSA-N 1 1 376.421 -1.114 20 0 GAADMO 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GAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579334355 1075559158 /nfs/dbraw/zinc/55/91/58/1075559158.db2.gz WPGQNNVOAOOQDO-QWRGUYRKSA-N 1 1 376.421 -1.304 20 0 GAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579334356 1075558768 /nfs/dbraw/zinc/55/87/68/1075558768.db2.gz WPGQNNVOAOOQDO-WDEREUQCSA-N 1 1 376.421 -1.304 20 0 GAADMO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579334390 1075558827 /nfs/dbraw/zinc/55/88/27/1075558827.db2.gz XDXJIKYUAVFWLO-APPDUMDISA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579334391 1075559073 /nfs/dbraw/zinc/55/90/73/1075559073.db2.gz XDXJIKYUAVFWLO-DIFFPNOSSA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579334392 1075559184 /nfs/dbraw/zinc/55/91/84/1075559184.db2.gz XDXJIKYUAVFWLO-GTNSWQLSSA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579334393 1075558911 /nfs/dbraw/zinc/55/89/11/1075558911.db2.gz XDXJIKYUAVFWLO-PIGZYNQJSA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579335468 1075559422 /nfs/dbraw/zinc/55/94/22/1075559422.db2.gz RLCPSQOSKMCGJI-LLVKDONJSA-N 1 1 376.421 -1.303 20 0 GAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579335469 1075559645 /nfs/dbraw/zinc/55/96/45/1075559645.db2.gz RLCPSQOSKMCGJI-NSHDSACASA-N 1 1 376.421 -1.303 20 0 GAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579336107 1075559431 /nfs/dbraw/zinc/55/94/31/1075559431.db2.gz YSBNYIACLBVDGG-LLVKDONJSA-N 1 1 376.421 -1.303 20 0 GAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579336108 1075559498 /nfs/dbraw/zinc/55/94/98/1075559498.db2.gz YSBNYIACLBVDGG-NSHDSACASA-N 1 1 376.421 -1.303 20 0 GAADMO C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001579338019 1075559954 /nfs/dbraw/zinc/55/99/54/1075559954.db2.gz FAVXOTMOGDWPGD-CYBMUJFWSA-N 1 1 386.464 -1.153 20 0 GAADMO C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001579338020 1075560041 /nfs/dbraw/zinc/56/00/41/1075560041.db2.gz FAVXOTMOGDWPGD-ZDUSSCGKSA-N 1 1 386.464 -1.153 20 0 GAADMO C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338560 1075559910 /nfs/dbraw/zinc/55/99/10/1075559910.db2.gz PFSBXUVBXCGPBW-CYBMUJFWSA-N 1 1 386.464 -1.153 20 0 GAADMO C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338561 1075560352 /nfs/dbraw/zinc/56/03/52/1075560352.db2.gz PFSBXUVBXCGPBW-ZDUSSCGKSA-N 1 1 386.464 -1.153 20 0 GAADMO C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338619 1075560426 /nfs/dbraw/zinc/56/04/26/1075560426.db2.gz SACAXTLCXNPFBZ-CYBMUJFWSA-N 1 1 386.464 -1.153 20 0 GAADMO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338619 1075560419 /nfs/dbraw/zinc/56/04/19/1075560419.db2.gz SACAXTLCXNPFBZ-CYBMUJFWSA-N 1 1 386.464 -1.153 20 0 GAADMO C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338620 1075560530 /nfs/dbraw/zinc/56/05/30/1075560530.db2.gz SACAXTLCXNPFBZ-ZDUSSCGKSA-N 1 1 386.464 -1.153 20 0 GAADMO C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338620 1075560528 /nfs/dbraw/zinc/56/05/28/1075560528.db2.gz SACAXTLCXNPFBZ-ZDUSSCGKSA-N 1 1 386.464 -1.153 20 0 GAADMO CN1CC[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)CC1=O ZINC001579338773 1075560584 /nfs/dbraw/zinc/56/05/84/1075560584.db2.gz WLSWWLVEVXZBGJ-MPKXVKKWSA-N 1 1 386.416 -1.204 20 0 GAADMO CN1CC[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)CC1=O ZINC001579338774 1075560391 /nfs/dbraw/zinc/56/03/91/1075560391.db2.gz WLSWWLVEVXZBGJ-QKCSRTOESA-N 1 1 386.416 -1.204 20 0 GAADMO CN1CC[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)CC1=O ZINC001579338776 1075560561 /nfs/dbraw/zinc/56/05/61/1075560561.db2.gz WLSWWLVEVXZBGJ-SUHUHFCYSA-N 1 1 386.416 -1.204 20 0 GAADMO CN1CC[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)CC1=O ZINC001579338777 1075560534 /nfs/dbraw/zinc/56/05/34/1075560534.db2.gz WLSWWLVEVXZBGJ-ZKYQVNSYSA-N 1 1 386.416 -1.204 20 0 GAADMO C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001579338880 1075560538 /nfs/dbraw/zinc/56/05/38/1075560538.db2.gz ZWKGLDLGGNGDRQ-CYBMUJFWSA-N 1 1 386.464 -1.153 20 0 GAADMO C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001579338881 1075560461 /nfs/dbraw/zinc/56/04/61/1075560461.db2.gz ZWKGLDLGGNGDRQ-ZDUSSCGKSA-N 1 1 386.464 -1.153 20 0 GAADMO CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001579339614 1075560919 /nfs/dbraw/zinc/56/09/19/1075560919.db2.gz KWYBZCVQUUZFKK-NEPJUHHUSA-N 1 1 375.437 -1.348 20 0 GAADMO CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001579339614 1075560917 /nfs/dbraw/zinc/56/09/17/1075560917.db2.gz KWYBZCVQUUZFKK-NEPJUHHUSA-N 1 1 375.437 -1.348 20 0 GAADMO CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001579339615 1075560933 /nfs/dbraw/zinc/56/09/33/1075560933.db2.gz KWYBZCVQUUZFKK-NWDGAFQWSA-N 1 1 375.437 -1.348 20 0 GAADMO CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001579339615 1075560931 /nfs/dbraw/zinc/56/09/31/1075560931.db2.gz KWYBZCVQUUZFKK-NWDGAFQWSA-N 1 1 375.437 -1.348 20 0 GAADMO CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001579339616 1075560856 /nfs/dbraw/zinc/56/08/56/1075560856.db2.gz KWYBZCVQUUZFKK-RYUDHWBXSA-N 1 1 375.437 -1.348 20 0 GAADMO CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001579339616 1075560855 /nfs/dbraw/zinc/56/08/55/1075560855.db2.gz KWYBZCVQUUZFKK-RYUDHWBXSA-N 1 1 375.437 -1.348 20 0 GAADMO CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001579339617 1075560812 /nfs/dbraw/zinc/56/08/12/1075560812.db2.gz KWYBZCVQUUZFKK-VXGBXAGGSA-N 1 1 375.437 -1.348 20 0 GAADMO CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001579339617 1075560809 /nfs/dbraw/zinc/56/08/09/1075560809.db2.gz KWYBZCVQUUZFKK-VXGBXAGGSA-N 1 1 375.437 -1.348 20 0 GAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579341246 1075560898 /nfs/dbraw/zinc/56/08/98/1075560898.db2.gz HAFCURLVOUKVBE-LLVKDONJSA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579341248 1075561172 /nfs/dbraw/zinc/56/11/72/1075561172.db2.gz HAFCURLVOUKVBE-NSHDSACASA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579341443 1075561507 /nfs/dbraw/zinc/56/15/07/1075561507.db2.gz MFVGTTMJSICZJR-LLVKDONJSA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579341444 1075561428 /nfs/dbraw/zinc/56/14/28/1075561428.db2.gz MFVGTTMJSICZJR-NSHDSACASA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579341853 1075561536 /nfs/dbraw/zinc/56/15/36/1075561536.db2.gz XADPZLUAHDDWOX-LLVKDONJSA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579341854 1075561206 /nfs/dbraw/zinc/56/12/06/1075561206.db2.gz XADPZLUAHDDWOX-NSHDSACASA-N 1 1 388.432 -1.160 20 0 GAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579342641 1075561295 /nfs/dbraw/zinc/56/12/95/1075561295.db2.gz ATSFHCNYOXMXMX-CMPLNLGQSA-N 1 1 376.421 -1.257 20 0 GAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579342642 1075561461 /nfs/dbraw/zinc/56/14/61/1075561461.db2.gz ATSFHCNYOXMXMX-JQWIXIFHSA-N 1 1 376.421 -1.257 20 0 GAADMO 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C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579368731 1075570047 /nfs/dbraw/zinc/57/00/47/1075570047.db2.gz HBTADDHIUWLSRZ-RDBSUJKOSA-N 1 1 388.432 -1.019 20 0 GAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001579368860 1075570021 /nfs/dbraw/zinc/57/00/21/1075570021.db2.gz MCSKSQANVJLZRG-MCIONIFRSA-N 1 1 388.432 -1.019 20 0 GAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001579368861 1075569947 /nfs/dbraw/zinc/56/99/47/1075569947.db2.gz MCSKSQANVJLZRG-RDBSUJKOSA-N 1 1 388.432 -1.019 20 0 GAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579372270 1075570110 /nfs/dbraw/zinc/57/01/10/1075570110.db2.gz MLRVRNWNDQFNBF-CXAGYDPISA-N 1 1 388.432 -1.018 20 0 GAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579372271 1075569924 /nfs/dbraw/zinc/56/99/24/1075569924.db2.gz MLRVRNWNDQFNBF-DYVFJYSZSA-N 1 1 388.432 -1.018 20 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C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580338153 1075709787 /nfs/dbraw/zinc/70/97/87/1075709787.db2.gz MKQMPACEVZTAMO-BXKDBHETSA-N 1 1 382.450 -1.206 20 0 GAADMO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001580354023 1075710659 /nfs/dbraw/zinc/71/06/59/1075710659.db2.gz FLMJZRTYINVQIN-DVVUODLYSA-N 1 1 385.388 -1.199 20 0 GAADMO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001580354292 1075710959 /nfs/dbraw/zinc/71/09/59/1075710959.db2.gz OZGNEWCAWHTRNP-ZYHUDNBSSA-N 1 1 384.404 -1.202 20 0 GAADMO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001580355156 1075710692 /nfs/dbraw/zinc/71/06/92/1075710692.db2.gz UVALEVFHDUOTDQ-DGCLKSJQSA-N 1 1 385.432 -1.366 20 0 GAADMO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001580355174 1075711363 /nfs/dbraw/zinc/71/13/63/1075711363.db2.gz VWPVATXWHRUAJL-ADEWGFFLSA-N 1 1 392.445 -1.106 20 0 GAADMO 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C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@H+]1CCNS(C)(=O)=O ZINC001580382524 1075712986 /nfs/dbraw/zinc/71/29/86/1075712986.db2.gz JCMQXFBBEZQNLP-ZJUUUORDSA-N 1 1 382.450 -1.063 20 0 GAADMO C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001580382524 1075712985 /nfs/dbraw/zinc/71/29/85/1075712985.db2.gz JCMQXFBBEZQNLP-ZJUUUORDSA-N 1 1 382.450 -1.063 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC[N@H+]1C ZINC001580385345 1075713312 /nfs/dbraw/zinc/71/33/12/1075713312.db2.gz FKBVLJANROQEQJ-GHMZBOCLSA-N 1 1 388.432 -1.162 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC[N@H+]1C ZINC001580385400 1075713518 /nfs/dbraw/zinc/71/35/18/1075713518.db2.gz HKWWAKVJAFQZFM-DMTCVQMQSA-N 1 1 388.432 -1.164 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385401 1075713139 /nfs/dbraw/zinc/71/31/39/1075713139.db2.gz HKWWAKVJAFQZFM-MHWZDGSBSA-N 1 1 388.432 -1.164 20 0 GAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CC[N@H+]1C ZINC001580385410 1075713594 /nfs/dbraw/zinc/71/35/94/1075713594.db2.gz HYQMYYMCOMKHSQ-VXGBXAGGSA-N 1 1 375.437 -1.348 20 0 GAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CC[N@@H+]1C ZINC001580385410 1075713591 /nfs/dbraw/zinc/71/35/91/1075713591.db2.gz HYQMYYMCOMKHSQ-VXGBXAGGSA-N 1 1 375.437 -1.348 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC[N@H+]1C ZINC001580385496 1075713434 /nfs/dbraw/zinc/71/34/34/1075713434.db2.gz MGLRXFYAQURNLW-ZYHUDNBSSA-N 1 1 388.432 -1.162 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385520 1075713628 /nfs/dbraw/zinc/71/36/28/1075713628.db2.gz MVDFBXOXOHHNAZ-IMJCEVDSSA-N 1 1 388.432 -1.164 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC[N@H+]1C ZINC001580385521 1075713277 /nfs/dbraw/zinc/71/32/77/1075713277.db2.gz MVDFBXOXOHHNAZ-WGEPELCKSA-N 1 1 388.432 -1.164 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385892 1075713398 /nfs/dbraw/zinc/71/33/98/1075713398.db2.gz XZQCCZOSVOKDTO-IMJCEVDSSA-N 1 1 388.432 -1.164 20 0 GAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001580385894 1075713600 /nfs/dbraw/zinc/71/36/00/1075713600.db2.gz XZQCCZOSVOKDTO-WGEPELCKSA-N 1 1 388.432 -1.164 20 0 GAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC[N@H+]1C ZINC001580386183 1075713668 /nfs/dbraw/zinc/71/36/68/1075713668.db2.gz OOUSJPIKPKXFFH-GRYCIOLGSA-N 1 1 375.437 -1.350 20 0 GAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC[N@@H+]1C ZINC001580386183 1075713666 /nfs/dbraw/zinc/71/36/66/1075713666.db2.gz OOUSJPIKPKXFFH-GRYCIOLGSA-N 1 1 375.437 -1.350 20 0 GAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC[N@H+]1C ZINC001580386188 1075713560 /nfs/dbraw/zinc/71/35/60/1075713560.db2.gz OOUSJPIKPKXFFH-IJLUTSLNSA-N 1 1 375.437 -1.350 20 0 GAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC[N@@H+]1C ZINC001580386188 1075713557 /nfs/dbraw/zinc/71/35/57/1075713557.db2.gz OOUSJPIKPKXFFH-IJLUTSLNSA-N 1 1 375.437 -1.350 20 0 GAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC[N@H+]1C ZINC001580387716 1075713645 /nfs/dbraw/zinc/71/36/45/1075713645.db2.gz DOMRXVHYAQQYMM-GHMZBOCLSA-N 1 1 388.432 -1.162 20 0 GAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@H+]1C ZINC001580387878 1075713476 /nfs/dbraw/zinc/71/34/76/1075713476.db2.gz GNLFKABDWQNVLZ-GMTAPVOTSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@H+]1C ZINC001580387879 1075713343 /nfs/dbraw/zinc/71/33/43/1075713343.db2.gz GNLFKABDWQNVLZ-OUAUKWLOSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001580387911 1075713614 /nfs/dbraw/zinc/71/36/14/1075713614.db2.gz HGKJWCRRMZRZAD-ADEWGFFLSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001580387912 1075713243 /nfs/dbraw/zinc/71/32/43/1075713243.db2.gz HGKJWCRRMZRZAD-YUSALJHKSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001580388005 1075713374 /nfs/dbraw/zinc/71/33/74/1075713374.db2.gz KOYPUYNERDFXQY-ADEWGFFLSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001580388006 1075713567 /nfs/dbraw/zinc/71/35/67/1075713567.db2.gz KOYPUYNERDFXQY-YUSALJHKSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@H+]1C ZINC001580388029 1075713181 /nfs/dbraw/zinc/71/31/81/1075713181.db2.gz LIXYUBOCTGTTAQ-GMTAPVOTSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@H+]1C ZINC001580388030 1075713212 /nfs/dbraw/zinc/71/32/12/1075713212.db2.gz LIXYUBOCTGTTAQ-OUAUKWLOSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@H+]1C ZINC001580388066 1075714132 /nfs/dbraw/zinc/71/41/32/1075714132.db2.gz LZVYEASSWULCSG-ADEWGFFLSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@H+]1C ZINC001580388067 1075714210 /nfs/dbraw/zinc/71/42/10/1075714210.db2.gz LZVYEASSWULCSG-YUSALJHKSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001580388177 1075713935 /nfs/dbraw/zinc/71/39/35/1075713935.db2.gz QPPCFQQZKGVUMP-ADEWGFFLSA-N 1 1 376.421 -1.258 20 0 GAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001580388178 1075714152 /nfs/dbraw/zinc/71/41/52/1075714152.db2.gz QPPCFQQZKGVUMP-YUSALJHKSA-N 1 1 376.421 -1.258 20 0 GAADMO 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Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001581114702 1075755209 /nfs/dbraw/zinc/75/52/09/1075755209.db2.gz LSXKNSUYUAVMRF-DGCLKSJQSA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001581114703 1075755142 /nfs/dbraw/zinc/75/51/42/1075755142.db2.gz LSXKNSUYUAVMRF-WCQYABFASA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001581114703 1075755140 /nfs/dbraw/zinc/75/51/40/1075755140.db2.gz LSXKNSUYUAVMRF-WCQYABFASA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001581114704 1075755099 /nfs/dbraw/zinc/75/50/99/1075755099.db2.gz LSXKNSUYUAVMRF-YPMHNXCESA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001581114704 1075755095 /nfs/dbraw/zinc/75/50/95/1075755095.db2.gz LSXKNSUYUAVMRF-YPMHNXCESA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581337155 1075759211 /nfs/dbraw/zinc/75/92/11/1075759211.db2.gz JJQHXHCJKNWLIW-LLVKDONJSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581337156 1075759157 /nfs/dbraw/zinc/75/91/57/1075759157.db2.gz JJQHXHCJKNWLIW-NSHDSACASA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581337378 1075759115 /nfs/dbraw/zinc/75/91/15/1075759115.db2.gz SYRNFJVQIVNTEK-GFCCVEGCSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581337379 1075759237 /nfs/dbraw/zinc/75/92/37/1075759237.db2.gz SYRNFJVQIVNTEK-LBPRGKRZSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581337508 1075759173 /nfs/dbraw/zinc/75/91/73/1075759173.db2.gz YPTKDUWYLWJWCA-GFCCVEGCSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581337509 1075759126 /nfs/dbraw/zinc/75/91/26/1075759126.db2.gz YPTKDUWYLWJWCA-LBPRGKRZSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581337596 1075759220 /nfs/dbraw/zinc/75/92/20/1075759220.db2.gz BZTVEVYXAHBQTP-CHWSQXEVSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001581337597 1075759198 /nfs/dbraw/zinc/75/91/98/1075759198.db2.gz BZTVEVYXAHBQTP-OLZOCXBDSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581337605 1075759261 /nfs/dbraw/zinc/75/92/61/1075759261.db2.gz CHOAVHTYGHTASC-CHWSQXEVSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001581337606 1075759134 /nfs/dbraw/zinc/75/91/34/1075759134.db2.gz CHOAVHTYGHTASC-OLZOCXBDSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581337708 1075759277 /nfs/dbraw/zinc/75/92/77/1075759277.db2.gz FWVFTFKNVIMNAW-UHFFFAOYSA-N 1 1 387.404 -1.049 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581337770 1075759144 /nfs/dbraw/zinc/75/91/44/1075759144.db2.gz IUDOSZPWTPUIRY-UHFFFAOYSA-N 1 1 385.388 -1.297 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581337866 1075759287 /nfs/dbraw/zinc/75/92/87/1075759287.db2.gz LIAYWDHYKQUNTL-UHFFFAOYSA-N 1 1 385.388 -1.297 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581337948 1075759149 /nfs/dbraw/zinc/75/91/49/1075759149.db2.gz OZSVEGMAJQSDFE-CHWSQXEVSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001581337949 1075759162 /nfs/dbraw/zinc/75/91/62/1075759162.db2.gz OZSVEGMAJQSDFE-OLZOCXBDSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581337983 1075759101 /nfs/dbraw/zinc/75/91/01/1075759101.db2.gz QCEWBMZSQOBKSU-UHFFFAOYSA-N 1 1 387.404 -1.049 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581338175 1075759445 /nfs/dbraw/zinc/75/94/45/1075759445.db2.gz UTKLDZHINQKWSM-UHFFFAOYSA-N 1 1 387.404 -1.049 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001581338231 1075759668 /nfs/dbraw/zinc/75/96/68/1075759668.db2.gz FLZRKBUPBJDJFK-CHWSQXEVSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001581338330 1075759572 /nfs/dbraw/zinc/75/95/72/1075759572.db2.gz ICBMWFJSQYHWRU-CHWSQXEVSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001581338331 1075759605 /nfs/dbraw/zinc/75/96/05/1075759605.db2.gz ICBMWFJSQYHWRU-OLZOCXBDSA-N 1 1 385.388 -1.299 20 0 GAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581338340 1075759535 /nfs/dbraw/zinc/75/95/35/1075759535.db2.gz IHZHUOVKXPIRNE-UHFFFAOYSA-N 1 1 385.388 -1.297 20 0 GAADMO Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581338430 1075759619 /nfs/dbraw/zinc/75/96/19/1075759619.db2.gz JZCDDSUSGQFVDG-UHFFFAOYSA-N 1 1 387.404 -1.049 20 0 GAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581338540 1075759633 /nfs/dbraw/zinc/75/96/33/1075759633.db2.gz PFBBKCOAIHPSLU-UHFFFAOYSA-N 1 1 385.388 -1.297 20 0 GAADMO Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581338590 1075759551 /nfs/dbraw/zinc/75/95/51/1075759551.db2.gz QRQTZOGUFDPHJM-UHFFFAOYSA-N 1 1 387.404 -1.049 20 0 GAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001581338808 1075759510 /nfs/dbraw/zinc/75/95/10/1075759510.db2.gz URTUUUGMPAPWJN-OLZOCXBDSA-N 1 1 385.388 -1.299 20 0 GAADMO 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Cc1c[nH+]cn1CC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581340119 1075760087 /nfs/dbraw/zinc/76/00/87/1075760087.db2.gz OIUWGLLLJHNUAN-LBPRGKRZSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581446711 1075763943 /nfs/dbraw/zinc/76/39/43/1075763943.db2.gz JEERNZCBGSDAON-ZIAGYGMSSA-N 1 1 386.420 -1.122 20 0 GAADMO Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581446711 1075763940 /nfs/dbraw/zinc/76/39/40/1075763940.db2.gz JEERNZCBGSDAON-ZIAGYGMSSA-N 1 1 386.420 -1.122 20 0 GAADMO Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581446768 1075764195 /nfs/dbraw/zinc/76/41/95/1075764195.db2.gz LELCHSMASLLVTR-ZIAGYGMSSA-N 1 1 386.420 -1.122 20 0 GAADMO Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581446768 1075764192 /nfs/dbraw/zinc/76/41/92/1075764192.db2.gz LELCHSMASLLVTR-ZIAGYGMSSA-N 1 1 386.420 -1.122 20 0 GAADMO 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Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)ccc1-c1nn[nH]n1 ZINC001581512198 1075767808 /nfs/dbraw/zinc/76/78/08/1075767808.db2.gz IHPVKPMVCYUOGH-DGCLKSJQSA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1-c1nn[nH]n1 ZINC001581512199 1075767754 /nfs/dbraw/zinc/76/77/54/1075767754.db2.gz IHPVKPMVCYUOGH-WCQYABFASA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)ccc1-c1nn[nH]n1 ZINC001581512199 1075767751 /nfs/dbraw/zinc/76/77/51/1075767751.db2.gz IHPVKPMVCYUOGH-WCQYABFASA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1-c1nn[nH]n1 ZINC001581512200 1075767768 /nfs/dbraw/zinc/76/77/68/1075767768.db2.gz IHPVKPMVCYUOGH-YPMHNXCESA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1-c1nn[nH]n1 ZINC001581512200 1075767764 /nfs/dbraw/zinc/76/77/64/1075767764.db2.gz IHPVKPMVCYUOGH-YPMHNXCESA-N 1 1 376.421 -1.210 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581561888 1075769043 /nfs/dbraw/zinc/76/90/43/1075769043.db2.gz ACGCHOTUPDKKDM-UHFFFAOYSA-N 1 1 385.388 -1.297 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581561960 1075768937 /nfs/dbraw/zinc/76/89/37/1075768937.db2.gz CTRDSYAPKDQPPY-UHFFFAOYSA-N 1 1 385.388 -1.297 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581562026 1075769119 /nfs/dbraw/zinc/76/91/19/1075769119.db2.gz GACYJCXMAYMPJT-UHFFFAOYSA-N 1 1 387.404 -1.049 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581562267 1075768918 /nfs/dbraw/zinc/76/89/18/1075768918.db2.gz OGTRFYXDKSXGQF-UHFFFAOYSA-N 1 1 387.404 -1.049 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581562357 1075769097 /nfs/dbraw/zinc/76/90/97/1075769097.db2.gz REZPMTYMPNIXNG-LLVKDONJSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581562358 1075768927 /nfs/dbraw/zinc/76/89/27/1075768927.db2.gz REZPMTYMPNIXNG-NSHDSACASA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581562360 1075769063 /nfs/dbraw/zinc/76/90/63/1075769063.db2.gz RHUAKLHCDVPGBQ-UHFFFAOYSA-N 1 1 385.388 -1.297 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581562498 1075769106 /nfs/dbraw/zinc/76/91/06/1075769106.db2.gz WKYKTZUVZABLJU-GFCCVEGCSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581562499 1075769087 /nfs/dbraw/zinc/76/90/87/1075769087.db2.gz WKYKTZUVZABLJU-LBPRGKRZSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581562774 1075768958 /nfs/dbraw/zinc/76/89/58/1075768958.db2.gz CGWZMKQCMMKKRN-LLVKDONJSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581562775 1075769139 /nfs/dbraw/zinc/76/91/39/1075769139.db2.gz CGWZMKQCMMKKRN-NSHDSACASA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581562853 1075769535 /nfs/dbraw/zinc/76/95/35/1075769535.db2.gz DUHHKYOLYDXPQF-UHFFFAOYSA-N 1 1 385.388 -1.297 20 0 GAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581563079 1075769553 /nfs/dbraw/zinc/76/95/53/1075769553.db2.gz IPSMODZLHBSYHS-GFCCVEGCSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581563080 1075769583 /nfs/dbraw/zinc/76/95/83/1075769583.db2.gz IPSMODZLHBSYHS-LBPRGKRZSA-N 1 1 387.404 -1.051 20 0 GAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001581563255 1075769476 /nfs/dbraw/zinc/76/94/76/1075769476.db2.gz HHYZPCYGPQZYHJ-OLZOCXBDSA-N 1 1 385.388 -1.299 20 0 GAADMO 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/nfs/dbraw/zinc/80/51/96/1075805196.db2.gz HJLSVIUDZSRSDE-LLVKDONJSA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1=O ZINC001581818145 1075805157 /nfs/dbraw/zinc/80/51/57/1075805157.db2.gz HJLSVIUDZSRSDE-NSHDSACASA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)c1=O ZINC001581818224 1075805562 /nfs/dbraw/zinc/80/55/62/1075805562.db2.gz KVUYSHZPQNWOGP-UHFFFAOYSA-N 1 1 384.404 -1.104 20 0 GAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)c1=O ZINC001581818355 1075806387 /nfs/dbraw/zinc/80/63/87/1075806387.db2.gz RVBILILCVZPMJB-QWRGUYRKSA-N 1 1 382.388 -1.353 20 0 GAADMO Cn1cnn(CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1=O ZINC001581818387 1075806249 /nfs/dbraw/zinc/80/62/49/1075806249.db2.gz UKTVSTLUPMOQOP-INIZCTEOSA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1=O ZINC001581818388 1075806258 /nfs/dbraw/zinc/80/62/58/1075806258.db2.gz UKTVSTLUPMOQOP-MRXNPFEDSA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)c1=O ZINC001581818586 1075807454 /nfs/dbraw/zinc/80/74/54/1075807454.db2.gz BLADNGAUEGEKLR-LLVKDONJSA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)c1=O ZINC001581818587 1075807549 /nfs/dbraw/zinc/80/75/49/1075807549.db2.gz BLADNGAUEGEKLR-NSHDSACASA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CCC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1=O ZINC001581818747 1075808258 /nfs/dbraw/zinc/80/82/58/1075808258.db2.gz HZUWPRNZQIVWAM-LLVKDONJSA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CCC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1=O ZINC001581818748 1075808248 /nfs/dbraw/zinc/80/82/48/1075808248.db2.gz HZUWPRNZQIVWAM-NSHDSACASA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)c1=O ZINC001581818783 1075808477 /nfs/dbraw/zinc/80/84/77/1075808477.db2.gz JOFLNEATRXRPAK-UHFFFAOYSA-N 1 1 384.404 -1.058 20 0 GAADMO Cn1cnn(CCC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)c1=O ZINC001581818821 1075808499 /nfs/dbraw/zinc/80/84/99/1075808499.db2.gz LIINYRFIOTXTKU-UHFFFAOYSA-N 1 1 384.404 -1.104 20 0 GAADMO Cn1cnn(CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)c1=O ZINC001581819694 1075810318 /nfs/dbraw/zinc/81/03/18/1075810318.db2.gz ULXHNNMRFFJKLA-PWSUYJOCSA-N 1 1 386.376 -2.477 20 0 GAADMO Cn1cnn(CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)c1=O ZINC001581819695 1075810260 /nfs/dbraw/zinc/81/02/60/1075810260.db2.gz ULXHNNMRFFJKLA-ZYHUDNBSSA-N 1 1 386.376 -2.477 20 0 GAADMO Cn1nc(C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)ccc1=O ZINC001581821775 1075812212 /nfs/dbraw/zinc/81/22/12/1075812212.db2.gz MSNVKMNMQXLDQQ-DGCLKSJQSA-N 1 1 383.372 -1.665 20 0 GAADMO Cn1nc(C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)ccc1=O ZINC001581821776 1075812166 /nfs/dbraw/zinc/81/21/66/1075812166.db2.gz MSNVKMNMQXLDQQ-YPMHNXCESA-N 1 1 383.372 -1.665 20 0 GAADMO Cn1ncc(C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)c1N ZINC001581826554 1075814795 /nfs/dbraw/zinc/81/47/95/1075814795.db2.gz BMANWWUMGAMWOX-AAEUAGOBSA-N 1 1 384.404 -1.053 20 0 GAADMO Cn1ncc(C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)c1N ZINC001581826555 1075814833 /nfs/dbraw/zinc/81/48/33/1075814833.db2.gz BMANWWUMGAMWOX-DGCLKSJQSA-N 1 1 384.404 -1.053 20 0 GAADMO Cn1ncc(C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)c1N ZINC001581826556 1075814813 /nfs/dbraw/zinc/81/48/13/1075814813.db2.gz BMANWWUMGAMWOX-WCQYABFASA-N 1 1 384.404 -1.053 20 0 GAADMO Cn1ncc(C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)c1N ZINC001581826557 1075814804 /nfs/dbraw/zinc/81/48/04/1075814804.db2.gz BMANWWUMGAMWOX-YPMHNXCESA-N 1 1 384.404 -1.053 20 0 GAADMO Cn1ncc(C(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1N ZINC001581828413 1075816816 /nfs/dbraw/zinc/81/68/16/1075816816.db2.gz TZYNMVGZWKYSSL-INIZCTEOSA-N 1 1 384.404 -1.051 20 0 GAADMO Cn1ncc(C(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1N ZINC001581828414 1075816774 /nfs/dbraw/zinc/81/67/74/1075816774.db2.gz TZYNMVGZWKYSSL-MRXNPFEDSA-N 1 1 384.404 -1.051 20 0 GAADMO Cn1ncc(C(=O)NCCN2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001581829935 1075817418 /nfs/dbraw/zinc/81/74/18/1075817418.db2.gz WTEKYWXDBKFNOY-UHFFFAOYSA-N 1 1 383.420 -1.058 20 0 GAADMO Cn1ncc(CCC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581831982 1075817722 /nfs/dbraw/zinc/81/77/22/1075817722.db2.gz QDLSBXQYBUCKJR-OCCSQVGLSA-N 1 1 384.404 -1.311 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581842305 1075821217 /nfs/dbraw/zinc/82/12/17/1075821217.db2.gz JPKMELNEEKSYDN-NXEZZACHSA-N 1 1 390.433 -1.183 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581842305 1075821213 /nfs/dbraw/zinc/82/12/13/1075821213.db2.gz JPKMELNEEKSYDN-NXEZZACHSA-N 1 1 390.433 -1.183 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581842306 1075821232 /nfs/dbraw/zinc/82/12/32/1075821232.db2.gz JPKMELNEEKSYDN-UWVGGRQHSA-N 1 1 390.433 -1.183 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581842306 1075821229 /nfs/dbraw/zinc/82/12/29/1075821229.db2.gz JPKMELNEEKSYDN-UWVGGRQHSA-N 1 1 390.433 -1.183 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581842307 1075821311 /nfs/dbraw/zinc/82/13/11/1075821311.db2.gz JPKMELNEEKSYDN-VHSXEESVSA-N 1 1 390.433 -1.183 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581842307 1075821303 /nfs/dbraw/zinc/82/13/03/1075821303.db2.gz JPKMELNEEKSYDN-VHSXEESVSA-N 1 1 390.433 -1.183 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581842308 1075821271 /nfs/dbraw/zinc/82/12/71/1075821271.db2.gz JPKMELNEEKSYDN-ZJUUUORDSA-N 1 1 390.433 -1.183 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581842308 1075821267 /nfs/dbraw/zinc/82/12/67/1075821267.db2.gz JPKMELNEEKSYDN-ZJUUUORDSA-N 1 1 390.433 -1.183 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581842359 1075821244 /nfs/dbraw/zinc/82/12/44/1075821244.db2.gz LECAQLDZUROMJN-CHWSQXEVSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581842360 1075821202 /nfs/dbraw/zinc/82/12/02/1075821202.db2.gz LECAQLDZUROMJN-OLZOCXBDSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581842361 1075821143 /nfs/dbraw/zinc/82/11/43/1075821143.db2.gz LECAQLDZUROMJN-QWHCGFSZSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581842362 1075821283 /nfs/dbraw/zinc/82/12/83/1075821283.db2.gz LECAQLDZUROMJN-STQMWFEESA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581842455 1075821476 /nfs/dbraw/zinc/82/14/76/1075821476.db2.gz NUNXGDXVQSUSFP-JTQLQIEISA-N 1 1 376.356 -1.590 20 0 GAADMO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581842456 1075821691 /nfs/dbraw/zinc/82/16/91/1075821691.db2.gz NUNXGDXVQSUSFP-SNVBAGLBSA-N 1 1 376.356 -1.590 20 0 GAADMO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001581842468 1075821615 /nfs/dbraw/zinc/82/16/15/1075821615.db2.gz OIABNARZUUAZNH-JTQLQIEISA-N 1 1 376.356 -1.590 20 0 GAADMO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001581842469 1075821665 /nfs/dbraw/zinc/82/16/65/1075821665.db2.gz OIABNARZUUAZNH-SNVBAGLBSA-N 1 1 376.356 -1.590 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)n1 ZINC001581842519 1075821701 /nfs/dbraw/zinc/82/17/01/1075821701.db2.gz PMBSBWOUHCWLOL-CHWSQXEVSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)n1 ZINC001581842520 1075821678 /nfs/dbraw/zinc/82/16/78/1075821678.db2.gz PMBSBWOUHCWLOL-OLZOCXBDSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)n1 ZINC001581842521 1075821487 /nfs/dbraw/zinc/82/14/87/1075821487.db2.gz PMBSBWOUHCWLOL-QWHCGFSZSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)n1 ZINC001581842522 1075821546 /nfs/dbraw/zinc/82/15/46/1075821546.db2.gz PMBSBWOUHCWLOL-STQMWFEESA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@@]2(CO)CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001581842630 1075822016 /nfs/dbraw/zinc/82/20/16/1075822016.db2.gz SVGKTAMBKMTGRZ-HNNXBMFYSA-N 1 1 385.392 -1.454 20 0 GAADMO Cn1nnc(C(=O)N[C@]2(CO)CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001581842631 1075821857 /nfs/dbraw/zinc/82/18/57/1075821857.db2.gz SVGKTAMBKMTGRZ-OAHLLOKOSA-N 1 1 385.392 -1.454 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581842749 1075822005 /nfs/dbraw/zinc/82/20/05/1075822005.db2.gz XFHIIPIOWOREDR-CHWSQXEVSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581842750 1075821977 /nfs/dbraw/zinc/82/19/77/1075821977.db2.gz XFHIIPIOWOREDR-OLZOCXBDSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581842751 1075821934 /nfs/dbraw/zinc/82/19/34/1075821934.db2.gz XFHIIPIOWOREDR-QWHCGFSZSA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581842752 1075822036 /nfs/dbraw/zinc/82/20/36/1075822036.db2.gz XFHIIPIOWOREDR-STQMWFEESA-N 1 1 384.404 -1.245 20 0 GAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001581842874 1075822277 /nfs/dbraw/zinc/82/22/77/1075822277.db2.gz AIRDRPVGZCFGLM-INIZCTEOSA-N 1 1 384.404 -1.243 20 0 GAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001581842875 1075822136 /nfs/dbraw/zinc/82/21/36/1075822136.db2.gz AIRDRPVGZCFGLM-MRXNPFEDSA-N 1 1 384.404 -1.243 20 0 GAADMO Cn1nnc(C(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCCO2)n1 ZINC001581843400 1075822320 /nfs/dbraw/zinc/82/23/20/1075822320.db2.gz GTNRUGWTBFATQF-JTQLQIEISA-N 1 1 385.392 -1.190 20 0 GAADMO Cn1nnc(C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCCO2)n1 ZINC001581843405 1075822262 /nfs/dbraw/zinc/82/22/62/1075822262.db2.gz GTNRUGWTBFATQF-SNVBAGLBSA-N 1 1 385.392 -1.190 20 0 GAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001581843710 1075822514 /nfs/dbraw/zinc/82/25/14/1075822514.db2.gz MITQRTCBSXCKND-AWEZNQCLSA-N 1 1 390.433 -1.182 20 0 GAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001581843711 1075822556 /nfs/dbraw/zinc/82/25/56/1075822556.db2.gz MITQRTCBSXCKND-CQSZACIVSA-N 1 1 390.433 -1.182 20 0 GAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001581843746 1075822617 /nfs/dbraw/zinc/82/26/17/1075822617.db2.gz OBEGWGDFYQXQBB-INIZCTEOSA-N 1 1 384.404 -1.243 20 0 GAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001581843756 1075822585 /nfs/dbraw/zinc/82/25/85/1075822585.db2.gz OBEGWGDFYQXQBB-MRXNPFEDSA-N 1 1 384.404 -1.243 20 0 GAADMO Cn1nnc(C(=O)NCCN2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001581843918 1075822828 /nfs/dbraw/zinc/82/28/28/1075822828.db2.gz VZYKGJDMFKRXJY-UHFFFAOYSA-N 1 1 384.408 -1.663 20 0 GAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001581844053 1075823026 /nfs/dbraw/zinc/82/30/26/1075823026.db2.gz WYFZDFBIEOVUIT-INIZCTEOSA-N 1 1 384.404 -1.243 20 0 GAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001581844054 1075822966 /nfs/dbraw/zinc/82/29/66/1075822966.db2.gz WYFZDFBIEOVUIT-MRXNPFEDSA-N 1 1 384.404 -1.243 20 0 GAADMO Cn1nncc1C(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581848407 1075827080 /nfs/dbraw/zinc/82/70/80/1075827080.db2.gz QJSQAELEJBYOFD-UHFFFAOYSA-N 1 1 383.420 -1.058 20 0 GAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 ZINC001581848610 1075827399 /nfs/dbraw/zinc/82/73/99/1075827399.db2.gz ASEPCIKHUJLZPZ-LLVKDONJSA-N 1 1 387.408 -1.261 20 0 GAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 ZINC001581848611 1075827313 /nfs/dbraw/zinc/82/73/13/1075827313.db2.gz ASEPCIKHUJLZPZ-NSHDSACASA-N 1 1 387.408 -1.261 20 0 GAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCOCC1 ZINC001581848690 1075827390 /nfs/dbraw/zinc/82/73/90/1075827390.db2.gz BJUCEUHGVJMIRK-UHFFFAOYSA-N 1 1 387.408 -1.213 20 0 GAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 ZINC001581848978 1075827284 /nfs/dbraw/zinc/82/72/84/1075827284.db2.gz HPCQHIMYQOQXFF-JTQLQIEISA-N 1 1 387.408 -1.261 20 0 GAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 ZINC001581848979 1075827470 /nfs/dbraw/zinc/82/74/70/1075827470.db2.gz HPCQHIMYQOQXFF-SNVBAGLBSA-N 1 1 387.408 -1.261 20 0 GAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1 ZINC001581849078 1075827416 /nfs/dbraw/zinc/82/74/16/1075827416.db2.gz IFRHKJUCXGPVPG-UHFFFAOYSA-N 1 1 387.408 -1.213 20 0 GAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCOCC1 ZINC001581849097 1075827347 /nfs/dbraw/zinc/82/73/47/1075827347.db2.gz IJVFGKOZWMWKBQ-UHFFFAOYSA-N 1 1 387.408 -1.213 20 0 GAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001581849122 1075827876 /nfs/dbraw/zinc/82/78/76/1075827876.db2.gz IUEOWXSDWMYYPY-UHFFFAOYSA-N 1 1 387.408 -1.525 20 0 GAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001581849135 1075827809 /nfs/dbraw/zinc/82/78/09/1075827809.db2.gz JNTYRHDWWVOMRW-UHFFFAOYSA-N 1 1 387.408 -1.525 20 0 GAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001581849316 1075827759 /nfs/dbraw/zinc/82/77/59/1075827759.db2.gz MCHYLQJIQZXZLB-UHFFFAOYSA-N 1 1 387.408 -1.525 20 0 GAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1 ZINC001581849563 1075827828 /nfs/dbraw/zinc/82/78/28/1075827828.db2.gz UWGGIRBJHBKHEX-UHFFFAOYSA-N 1 1 387.408 -1.213 20 0 GAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCOCC1 ZINC001581849710 1075828256 /nfs/dbraw/zinc/82/82/56/1075828256.db2.gz ZSVITDYNCCIOAL-UHFFFAOYSA-N 1 1 387.408 -1.213 20 0 GAADMO NC(=O)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001581886540 1075828631 /nfs/dbraw/zinc/82/86/31/1075828631.db2.gz CQBLTDQKQBZVHM-INIZCTEOSA-N 1 1 377.380 -1.066 20 0 GAADMO NC(=O)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001581886540 1075828628 /nfs/dbraw/zinc/82/86/28/1075828628.db2.gz CQBLTDQKQBZVHM-INIZCTEOSA-N 1 1 377.380 -1.066 20 0 GAADMO NC(=O)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001581886541 1075828664 /nfs/dbraw/zinc/82/86/64/1075828664.db2.gz CQBLTDQKQBZVHM-MRXNPFEDSA-N 1 1 377.380 -1.066 20 0 GAADMO NC(=O)C(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001581886541 1075828660 /nfs/dbraw/zinc/82/86/60/1075828660.db2.gz CQBLTDQKQBZVHM-MRXNPFEDSA-N 1 1 377.380 -1.066 20 0 GAADMO NC(=O)C1([NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCS(=O)(=O)CC1 ZINC001581888359 1075829172 /nfs/dbraw/zinc/82/91/72/1075829172.db2.gz HSVUKNRXXKSXQT-GFCCVEGCSA-N 1 1 380.430 -1.078 20 0 GAADMO NC(=O)C1([NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCS(=O)(=O)CC1 ZINC001581888360 1075829261 /nfs/dbraw/zinc/82/92/61/1075829261.db2.gz HSVUKNRXXKSXQT-LBPRGKRZSA-N 1 1 380.430 -1.078 20 0 GAADMO NC(=O)C1([NH2+]C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CCS(=O)(=O)CC1 ZINC001581889022 1075829657 /nfs/dbraw/zinc/82/96/57/1075829657.db2.gz YJBIGXCTVHJQNH-GFCCVEGCSA-N 1 1 380.430 -1.078 20 0 GAADMO NC(=O)C1([NH2+]C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CCS(=O)(=O)CC1 ZINC001581889023 1075829588 /nfs/dbraw/zinc/82/95/88/1075829588.db2.gz YJBIGXCTVHJQNH-LBPRGKRZSA-N 1 1 380.430 -1.078 20 0 GAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001581889446 1075829767 /nfs/dbraw/zinc/82/97/67/1075829767.db2.gz KVNDVJVIXRBOGP-CHWSQXEVSA-N 1 1 377.380 -1.067 20 0 GAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001581889446 1075829764 /nfs/dbraw/zinc/82/97/64/1075829764.db2.gz KVNDVJVIXRBOGP-CHWSQXEVSA-N 1 1 377.380 -1.067 20 0 GAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001581889447 1075829607 /nfs/dbraw/zinc/82/96/07/1075829607.db2.gz KVNDVJVIXRBOGP-OLZOCXBDSA-N 1 1 377.380 -1.067 20 0 GAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001581889447 1075829604 /nfs/dbraw/zinc/82/96/04/1075829604.db2.gz KVNDVJVIXRBOGP-OLZOCXBDSA-N 1 1 377.380 -1.067 20 0 GAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001581889448 1075829567 /nfs/dbraw/zinc/82/95/67/1075829567.db2.gz KVNDVJVIXRBOGP-QWHCGFSZSA-N 1 1 377.380 -1.067 20 0 GAADMO NC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001581889448 1075829565 /nfs/dbraw/zinc/82/95/65/1075829565.db2.gz KVNDVJVIXRBOGP-QWHCGFSZSA-N 1 1 377.380 -1.067 20 0 GAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001581889449 1075829674 /nfs/dbraw/zinc/82/96/74/1075829674.db2.gz KVNDVJVIXRBOGP-STQMWFEESA-N 1 1 377.380 -1.067 20 0 GAADMO NC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001581889449 1075829668 /nfs/dbraw/zinc/82/96/68/1075829668.db2.gz KVNDVJVIXRBOGP-STQMWFEESA-N 1 1 377.380 -1.067 20 0 GAADMO NC(=O)[C@H]1C[N@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C[C@H]1C(N)=O ZINC001581890211 1075830059 /nfs/dbraw/zinc/83/00/59/1075830059.db2.gz HKZXQLQFKVZORR-AEJSXWLSSA-N 1 1 390.429 -1.448 20 0 GAADMO NC(=O)[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C[C@H]1C(N)=O ZINC001581890211 1075830055 /nfs/dbraw/zinc/83/00/55/1075830055.db2.gz HKZXQLQFKVZORR-AEJSXWLSSA-N 1 1 390.429 -1.448 20 0 GAADMO NC(=O)[C@@H]1C[NH+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C[C@H]1C(N)=O ZINC001581890212 1075830040 /nfs/dbraw/zinc/83/00/40/1075830040.db2.gz HKZXQLQFKVZORR-BBBLOLIVSA-N 1 1 390.429 -1.448 20 0 GAADMO NC(=O)[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C[C@H]1C(N)=O ZINC001581890213 1075829998 /nfs/dbraw/zinc/82/99/98/1075829998.db2.gz HKZXQLQFKVZORR-KXUCPTDWSA-N 1 1 390.429 -1.448 20 0 GAADMO NC(=O)[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C[C@H]1C(N)=O ZINC001581890213 1075829996 /nfs/dbraw/zinc/82/99/96/1075829996.db2.gz HKZXQLQFKVZORR-KXUCPTDWSA-N 1 1 390.429 -1.448 20 0 GAADMO NC(=O)[C@@H]1C[NH+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C[C@H]1C(N)=O ZINC001581890214 1075830013 /nfs/dbraw/zinc/83/00/13/1075830013.db2.gz HKZXQLQFKVZORR-OPRDCNLKSA-N 1 1 390.429 -1.448 20 0 GAADMO NC(=O)[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001581890237 1075830036 /nfs/dbraw/zinc/83/00/36/1075830036.db2.gz HYFWLUWJBIAANI-FRRDWIJNSA-N 1 1 384.400 -1.509 20 0 GAADMO NC(=O)[C@H]1C[N@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001581890240 1075829973 /nfs/dbraw/zinc/82/99/73/1075829973.db2.gz HYFWLUWJBIAANI-XQQFMLRXSA-N 1 1 384.400 -1.509 20 0 GAADMO NC(=O)Cn1cc(C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)nn1 ZINC001581895484 1075831156 /nfs/dbraw/zinc/83/11/56/1075831156.db2.gz KJUXFJGUXPBATB-UHFFFAOYSA-N 1 1 383.376 -1.699 20 0 GAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001581896191 1075831893 /nfs/dbraw/zinc/83/18/93/1075831893.db2.gz SBXSFLURRFVMAG-KGYLQXTDSA-N 1 1 387.404 -1.530 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001581896585 1075832282 /nfs/dbraw/zinc/83/22/82/1075832282.db2.gz HJGPKTIOVKZHHW-KOLCDFICSA-N 1 1 387.404 -1.216 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CCCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001581896602 1075832238 /nfs/dbraw/zinc/83/22/38/1075832238.db2.gz IHCYERGYSCABQS-UHFFFAOYSA-N 1 1 387.404 -1.072 20 0 GAADMO NC(=O)NC(=O)C[N@@H+]1CCCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001581896602 1075832237 /nfs/dbraw/zinc/83/22/37/1075832237.db2.gz IHCYERGYSCABQS-UHFFFAOYSA-N 1 1 387.404 -1.072 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001581896690 1075832880 /nfs/dbraw/zinc/83/28/80/1075832880.db2.gz LOVRUEUPKGLWNC-INIZCTEOSA-N 1 1 387.404 -1.072 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001581896691 1075832791 /nfs/dbraw/zinc/83/27/91/1075832791.db2.gz LOVRUEUPKGLWNC-MRXNPFEDSA-N 1 1 387.404 -1.072 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001581896707 1075832857 /nfs/dbraw/zinc/83/28/57/1075832857.db2.gz MHVYCMQTCQLFHE-JOYOIKCWSA-N 1 1 387.404 -1.074 20 0 GAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001581896707 1075832854 /nfs/dbraw/zinc/83/28/54/1075832854.db2.gz MHVYCMQTCQLFHE-JOYOIKCWSA-N 1 1 387.404 -1.074 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 ZINC001581896711 1075832887 /nfs/dbraw/zinc/83/28/87/1075832887.db2.gz MPQHTYZDDAOWRT-BXKDBHETSA-N 1 1 387.404 -1.074 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 ZINC001581896712 1075832586 /nfs/dbraw/zinc/83/25/86/1075832586.db2.gz MPQHTYZDDAOWRT-CABZTGNLSA-N 1 1 387.404 -1.074 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 ZINC001581896713 1075832838 /nfs/dbraw/zinc/83/28/38/1075832838.db2.gz MPQHTYZDDAOWRT-JOYOIKCWSA-N 1 1 387.404 -1.074 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 ZINC001581896714 1075832822 /nfs/dbraw/zinc/83/28/22/1075832822.db2.gz MPQHTYZDDAOWRT-SKDRFNHKSA-N 1 1 387.404 -1.074 20 0 GAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@H]21 ZINC001581896808 1075832651 /nfs/dbraw/zinc/83/26/51/1075832651.db2.gz OWVWHWYIEPVBCP-BXKDBHETSA-N 1 1 387.404 -1.074 20 0 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/nfs/dbraw/zinc/84/42/51/1075844251.db2.gz DMRPNJLLNNMQHO-APPDUMDISA-N 1 1 386.416 -1.012 20 0 GAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581973513 1075844368 /nfs/dbraw/zinc/84/43/68/1075844368.db2.gz DMRPNJLLNNMQHO-DIFFPNOSSA-N 1 1 386.416 -1.012 20 0 GAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581973514 1075844340 /nfs/dbraw/zinc/84/43/40/1075844340.db2.gz DMRPNJLLNNMQHO-GTNSWQLSSA-N 1 1 386.416 -1.012 20 0 GAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581973515 1075844290 /nfs/dbraw/zinc/84/42/90/1075844290.db2.gz DMRPNJLLNNMQHO-PIGZYNQJSA-N 1 1 386.416 -1.012 20 0 GAADMO O=C(C[C@@H]1CCNC1=O)NC[C@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581998110 1075846997 /nfs/dbraw/zinc/84/69/97/1075846997.db2.gz XJOGDRUDWQXSKX-APPDUMDISA-N 1 1 386.416 -1.155 20 0 GAADMO O=C(C[C@H]1CCNC1=O)NC[C@@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581998111 1075847407 /nfs/dbraw/zinc/84/74/07/1075847407.db2.gz XJOGDRUDWQXSKX-DIFFPNOSSA-N 1 1 386.416 -1.155 20 0 GAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581998112 1075847251 /nfs/dbraw/zinc/84/72/51/1075847251.db2.gz XJOGDRUDWQXSKX-GTNSWQLSSA-N 1 1 386.416 -1.155 20 0 GAADMO O=C(C[C@H]1CCNC1=O)NC[C@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581998113 1075847257 /nfs/dbraw/zinc/84/72/57/1075847257.db2.gz XJOGDRUDWQXSKX-PIGZYNQJSA-N 1 1 386.416 -1.155 20 0 GAADMO O=C(CCC[NH+]1CCCC1)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582046266 1075851663 /nfs/dbraw/zinc/85/16/63/1075851663.db2.gz CFPKTAXKMPSANZ-GFCCVEGCSA-N 1 1 375.437 -1.156 20 0 GAADMO O=C(CCC[NH+]1CCCC1)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582046267 1075851501 /nfs/dbraw/zinc/85/15/01/1075851501.db2.gz CFPKTAXKMPSANZ-LBPRGKRZSA-N 1 1 375.437 -1.156 20 0 GAADMO O=C(CCC[NH+]1CCCC1)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582046565 1075851624 /nfs/dbraw/zinc/85/16/24/1075851624.db2.gz PHSUCEYVSBWNOM-GFCCVEGCSA-N 1 1 375.437 -1.156 20 0 GAADMO O=C(CCC[NH+]1CCCC1)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582046566 1075851968 /nfs/dbraw/zinc/85/19/68/1075851968.db2.gz PHSUCEYVSBWNOM-LBPRGKRZSA-N 1 1 375.437 -1.156 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582052584 1075852744 /nfs/dbraw/zinc/85/27/44/1075852744.db2.gz AVNOAQXMZVIWRL-GFCCVEGCSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582052585 1075852759 /nfs/dbraw/zinc/85/27/59/1075852759.db2.gz AVNOAQXMZVIWRL-LBPRGKRZSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582052603 1075853150 /nfs/dbraw/zinc/85/31/50/1075853150.db2.gz BKDXXAHHUSNKPY-LLVKDONJSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582052604 1075853143 /nfs/dbraw/zinc/85/31/43/1075853143.db2.gz BKDXXAHHUSNKPY-NSHDSACASA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1 ZINC001582052664 1075853015 /nfs/dbraw/zinc/85/30/15/1075853015.db2.gz FUEVWULQBBUFGV-GFCCVEGCSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)Nc1ncccc1-c1nn[nH]n1 ZINC001582052665 1075853065 /nfs/dbraw/zinc/85/30/65/1075853065.db2.gz FUEVWULQBBUFGV-LBPRGKRZSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CCCn1cncn1)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582052704 1075853171 /nfs/dbraw/zinc/85/31/71/1075853171.db2.gz RTXXFHUWGNSHMF-OCCSQVGLSA-N 1 1 384.404 -1.001 20 0 GAADMO O=C(CCCn1cncn1)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001582052705 1075853197 /nfs/dbraw/zinc/85/31/97/1075853197.db2.gz RTXXFHUWGNSHMF-TZMCWYRMSA-N 1 1 384.404 -1.001 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1ncccc1-c1nn[nH]n1 ZINC001582052815 1075853655 /nfs/dbraw/zinc/85/36/55/1075853655.db2.gz HKYFGTZRBMBXKL-GFCCVEGCSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1ncccc1-c1nn[nH]n1 ZINC001582052816 1075853530 /nfs/dbraw/zinc/85/35/30/1075853530.db2.gz HKYFGTZRBMBXKL-LBPRGKRZSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582052872 1075853611 /nfs/dbraw/zinc/85/36/11/1075853611.db2.gz JPRCCIKCMUQPSR-GFCCVEGCSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582052888 1075853499 /nfs/dbraw/zinc/85/34/99/1075853499.db2.gz JPRCCIKCMUQPSR-LBPRGKRZSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053027 1075853742 /nfs/dbraw/zinc/85/37/42/1075853742.db2.gz MHRAOIKKXQRGAT-LLVKDONJSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053029 1075853825 /nfs/dbraw/zinc/85/38/25/1075853825.db2.gz MHRAOIKKXQRGAT-NSHDSACASA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001582053187 1075853906 /nfs/dbraw/zinc/85/39/06/1075853906.db2.gz OZKXCBRIRWNFJD-KGLIPLIRSA-N 1 1 388.432 -1.350 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053200 1075853946 /nfs/dbraw/zinc/85/39/46/1075853946.db2.gz PLBWDYRWSWXOLK-LLVKDONJSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053201 1075853767 /nfs/dbraw/zinc/85/37/67/1075853767.db2.gz PLBWDYRWSWXOLK-NSHDSACASA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001582053232 1075853995 /nfs/dbraw/zinc/85/39/95/1075853995.db2.gz QGQBSNXJARBIPN-CYBMUJFWSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001582053233 1075854011 /nfs/dbraw/zinc/85/40/11/1075854011.db2.gz QGQBSNXJARBIPN-ZDUSSCGKSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1O ZINC001582053259 1075854191 /nfs/dbraw/zinc/85/41/91/1075854191.db2.gz RERNNCCMLJDZRO-ZIAGYGMSSA-N 1 1 388.432 -1.350 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001582053300 1075854222 /nfs/dbraw/zinc/85/42/22/1075854222.db2.gz SMNNMFXVCICDPE-CYBMUJFWSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001582053302 1075854157 /nfs/dbraw/zinc/85/41/57/1075854157.db2.gz SMNNMFXVCICDPE-ZDUSSCGKSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582053317 1075854369 /nfs/dbraw/zinc/85/43/69/1075854369.db2.gz SRHXSYBLHVZDOK-GFCCVEGCSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582053318 1075854376 /nfs/dbraw/zinc/85/43/76/1075854376.db2.gz SRHXSYBLHVZDOK-LBPRGKRZSA-N 1 1 392.420 -1.876 20 0 GAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@@H]1O ZINC001582053379 1075854803 /nfs/dbraw/zinc/85/48/03/1075854803.db2.gz WYNPGQJWGKFGHS-CABCVRRESA-N 1 1 388.432 -1.350 20 0 GAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O ZINC001582053380 1075854679 /nfs/dbraw/zinc/85/46/79/1075854679.db2.gz WYNPGQJWGKFGHS-HUUCEWRRSA-N 1 1 388.432 -1.350 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001582053399 1075854557 /nfs/dbraw/zinc/85/45/57/1075854557.db2.gz XWCPYPXJINNECP-CYBMUJFWSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001582053400 1075854774 /nfs/dbraw/zinc/85/47/74/1075854774.db2.gz XWCPYPXJINNECP-ZDUSSCGKSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001582053538 1075854818 /nfs/dbraw/zinc/85/48/18/1075854818.db2.gz ZDQZAUWKRQUIRJ-CYBMUJFWSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001582053539 1075854631 /nfs/dbraw/zinc/85/46/31/1075854631.db2.gz ZDQZAUWKRQUIRJ-ZDUSSCGKSA-N 1 1 376.421 -1.127 20 0 GAADMO O=C(CC[NH+]1CCCCC1)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582053604 1075854788 /nfs/dbraw/zinc/85/47/88/1075854788.db2.gz HVJJQZSUKPMUEQ-GFCCVEGCSA-N 1 1 375.437 -1.156 20 0 GAADMO O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582053605 1075854708 /nfs/dbraw/zinc/85/47/08/1075854708.db2.gz HVJJQZSUKPMUEQ-LBPRGKRZSA-N 1 1 375.437 -1.156 20 0 GAADMO O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582053778 1075854763 /nfs/dbraw/zinc/85/47/63/1075854763.db2.gz OFXLWXFRTAVFTJ-GFCCVEGCSA-N 1 1 375.437 -1.156 20 0 GAADMO O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582053779 1075854813 /nfs/dbraw/zinc/85/48/13/1075854813.db2.gz OFXLWXFRTAVFTJ-LBPRGKRZSA-N 1 1 375.437 -1.156 20 0 GAADMO O=C(CCN1CCCC1=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582053967 1075854987 /nfs/dbraw/zinc/85/49/87/1075854987.db2.gz XBXWCUNTNBQLDI-OCCSQVGLSA-N 1 1 386.416 -1.060 20 0 GAADMO O=C(CCN1CCCC1=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001582053968 1075855125 /nfs/dbraw/zinc/85/51/25/1075855125.db2.gz XBXWCUNTNBQLDI-TZMCWYRMSA-N 1 1 386.416 -1.060 20 0 GAADMO O=C(CCn1cncn1)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001582093539 1075862906 /nfs/dbraw/zinc/86/29/06/1075862906.db2.gz JOMCXBMDQHESJZ-GXTWGEPZSA-N 1 1 384.404 -1.001 20 0 GAADMO O=C(CCn1cncn1)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582093540 1075862853 /nfs/dbraw/zinc/86/28/53/1075862853.db2.gz JOMCXBMDQHESJZ-JSGCOSHPSA-N 1 1 384.404 -1.001 20 0 GAADMO O=C(CCn1cncn1)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582093541 1075862811 /nfs/dbraw/zinc/86/28/11/1075862811.db2.gz JOMCXBMDQHESJZ-OCCSQVGLSA-N 1 1 384.404 -1.001 20 0 GAADMO O=C(CCn1cncn1)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001582093542 1075862918 /nfs/dbraw/zinc/86/29/18/1075862918.db2.gz JOMCXBMDQHESJZ-TZMCWYRMSA-N 1 1 384.404 -1.001 20 0 GAADMO O=C(CCn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582094697 1075864047 /nfs/dbraw/zinc/86/40/47/1075864047.db2.gz AEERESDZDHMTRL-GFCCVEGCSA-N 1 1 390.383 -1.351 20 0 GAADMO O=C(CCn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582094698 1075864183 /nfs/dbraw/zinc/86/41/83/1075864183.db2.gz AEERESDZDHMTRL-LBPRGKRZSA-N 1 1 390.383 -1.351 20 0 GAADMO O=C(CCn1cnnn1)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582095176 1075865889 /nfs/dbraw/zinc/86/58/89/1075865889.db2.gz LIMBDHOLOGIADZ-AAEUAGOBSA-N 1 1 385.392 -1.606 20 0 GAADMO O=C(CCn1cnnn1)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001582095182 1075865903 /nfs/dbraw/zinc/86/59/03/1075865903.db2.gz LIMBDHOLOGIADZ-DGCLKSJQSA-N 1 1 385.392 -1.606 20 0 GAADMO O=C(CCn1cnnn1)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001582095186 1075865949 /nfs/dbraw/zinc/86/59/49/1075865949.db2.gz LIMBDHOLOGIADZ-WCQYABFASA-N 1 1 385.392 -1.606 20 0 GAADMO O=C(CCn1cnnn1)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582095190 1075865875 /nfs/dbraw/zinc/86/58/75/1075865875.db2.gz LIMBDHOLOGIADZ-YPMHNXCESA-N 1 1 385.392 -1.606 20 0 GAADMO O=C(CCn1cnnn1)NC[C@@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582095824 1075866308 /nfs/dbraw/zinc/86/63/08/1075866308.db2.gz USOTYKHJRORXJK-LLVKDONJSA-N 1 1 385.392 -1.340 20 0 GAADMO O=C(CCn1cnnn1)NC[C@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582095828 1075866354 /nfs/dbraw/zinc/86/63/54/1075866354.db2.gz USOTYKHJRORXJK-NSHDSACASA-N 1 1 385.392 -1.340 20 0 GAADMO O=C(CCn1cnnn1)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001582096021 1075866701 /nfs/dbraw/zinc/86/67/01/1075866701.db2.gz VTUSNXJDQOSKTJ-LLVKDONJSA-N 1 1 385.392 -1.340 20 0 GAADMO O=C(CCn1cnnn1)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001582096022 1075866667 /nfs/dbraw/zinc/86/66/67/1075866667.db2.gz VTUSNXJDQOSKTJ-NSHDSACASA-N 1 1 385.392 -1.340 20 0 GAADMO O=C(CCn1cnnn1)NC[C@@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582096033 1075866622 /nfs/dbraw/zinc/86/66/22/1075866622.db2.gz WCQZKPNGOMKZKX-HNNXBMFYSA-N 1 1 385.392 -1.604 20 0 GAADMO O=C(CCn1cnnn1)NC[C@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582096034 1075866682 /nfs/dbraw/zinc/86/66/82/1075866682.db2.gz WCQZKPNGOMKZKX-OAHLLOKOSA-N 1 1 385.392 -1.604 20 0 GAADMO O=C(CCn1cnnn1)NC[C@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582096134 1075866924 /nfs/dbraw/zinc/86/69/24/1075866924.db2.gz YZEMKMJICYALOW-GFCCVEGCSA-N 1 1 390.383 -1.351 20 0 GAADMO O=C(CCn1cnnn1)NC[C@@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582096135 1075867015 /nfs/dbraw/zinc/86/70/15/1075867015.db2.gz YZEMKMJICYALOW-LBPRGKRZSA-N 1 1 390.383 -1.351 20 0 GAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001582096224 1075867127 /nfs/dbraw/zinc/86/71/27/1075867127.db2.gz DNNIGEJOQUFENX-KGLIPLIRSA-N 1 1 399.411 -1.323 20 0 GAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001582096225 1075867348 /nfs/dbraw/zinc/86/73/48/1075867348.db2.gz DNNIGEJOQUFENX-ZIAGYGMSSA-N 1 1 399.411 -1.323 20 0 GAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582096280 1075867276 /nfs/dbraw/zinc/86/72/76/1075867276.db2.gz HLJMVBZJOSBQEX-ZIAGYGMSSA-N 1 1 384.404 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O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582179885 1075890598 /nfs/dbraw/zinc/89/05/98/1075890598.db2.gz DKNOKPGQMKASFR-LLVKDONJSA-N 1 1 375.368 -1.067 20 0 GAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582179886 1075890583 /nfs/dbraw/zinc/89/05/83/1075890583.db2.gz DKNOKPGQMKASFR-NSHDSACASA-N 1 1 375.368 -1.067 20 0 GAADMO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582180811 1075890926 /nfs/dbraw/zinc/89/09/26/1075890926.db2.gz VQWCYGIPXNTMKT-LLVKDONJSA-N 1 1 375.368 -1.067 20 0 GAADMO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582180812 1075890811 /nfs/dbraw/zinc/89/08/11/1075890811.db2.gz VQWCYGIPXNTMKT-NSHDSACASA-N 1 1 375.368 -1.067 20 0 GAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582180923 1075891288 /nfs/dbraw/zinc/89/12/88/1075891288.db2.gz ZBUQQRTZGARFSW-JTQLQIEISA-N 1 1 375.368 -1.067 20 0 GAADMO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582180924 1075891254 /nfs/dbraw/zinc/89/12/54/1075891254.db2.gz ZBUQQRTZGARFSW-SNVBAGLBSA-N 1 1 375.368 -1.067 20 0 GAADMO O=C(Cn1ccccc1=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582191418 1075896255 /nfs/dbraw/zinc/89/62/55/1075896255.db2.gz VOYAAFSWMNEEJS-OCCSQVGLSA-N 1 1 382.384 -1.211 20 0 GAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582191575 1075896495 /nfs/dbraw/zinc/89/64/95/1075896495.db2.gz BHOCRNAAXVDCRI-JTQLQIEISA-N 1 1 383.372 -1.081 20 0 GAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582191577 1075896707 /nfs/dbraw/zinc/89/67/07/1075896707.db2.gz BHOCRNAAXVDCRI-SNVBAGLBSA-N 1 1 383.372 -1.081 20 0 GAADMO O=C(Cn1cncn1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582200600 1075900608 /nfs/dbraw/zinc/90/06/08/1075900608.db2.gz APFRLICZFOHWHN-GFCCVEGCSA-N 1 1 375.368 -1.136 20 0 GAADMO O=C(Cn1cncn1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582200601 1075900861 /nfs/dbraw/zinc/90/08/61/1075900861.db2.gz APFRLICZFOHWHN-LBPRGKRZSA-N 1 1 375.368 -1.136 20 0 GAADMO O=C(Cn1cncn1)NC[C@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582201247 1075901921 /nfs/dbraw/zinc/90/19/21/1075901921.db2.gz UHHUZDNDUDHFGF-GFCCVEGCSA-N 1 1 375.368 -1.136 20 0 GAADMO O=C(Cn1cncn1)NC[C@@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582201248 1075901852 /nfs/dbraw/zinc/90/18/52/1075901852.db2.gz UHHUZDNDUDHFGF-LBPRGKRZSA-N 1 1 375.368 -1.136 20 0 GAADMO O=C(Cn1cnnn1)N[C@@]1(CO)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582202414 1075905208 /nfs/dbraw/zinc/90/52/08/1075905208.db2.gz VDZKJLRGJYHSNK-HNNXBMFYSA-N 1 1 385.392 -1.604 20 0 GAADMO O=C(Cn1cnnn1)N[C@]1(CO)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582202415 1075905238 /nfs/dbraw/zinc/90/52/38/1075905238.db2.gz VDZKJLRGJYHSNK-OAHLLOKOSA-N 1 1 385.392 -1.604 20 0 GAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582204190 1075906746 /nfs/dbraw/zinc/90/67/46/1075906746.db2.gz FNMOVRZBRWLKFT-KBPBESRZSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582204191 1075906771 /nfs/dbraw/zinc/90/67/71/1075906771.db2.gz FNMOVRZBRWLKFT-KGLIPLIRSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582204192 1075906802 /nfs/dbraw/zinc/90/68/02/1075906802.db2.gz FNMOVRZBRWLKFT-UONOGXRCSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582204193 1075906925 /nfs/dbraw/zinc/90/69/25/1075906925.db2.gz FNMOVRZBRWLKFT-ZIAGYGMSSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582204252 1075907198 /nfs/dbraw/zinc/90/71/98/1075907198.db2.gz HCMKULLTCCKNAG-INIZCTEOSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582204253 1075907374 /nfs/dbraw/zinc/90/73/74/1075907374.db2.gz HCMKULLTCCKNAG-MRXNPFEDSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582204289 1075907735 /nfs/dbraw/zinc/90/77/35/1075907735.db2.gz IEJMFIAKNHFLBK-GHMZBOCLSA-N 1 1 390.433 -1.334 20 0 GAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582204290 1075907608 /nfs/dbraw/zinc/90/76/08/1075907608.db2.gz IEJMFIAKNHFLBK-MNOVXSKESA-N 1 1 390.433 -1.334 20 0 GAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582204291 1075907698 /nfs/dbraw/zinc/90/76/98/1075907698.db2.gz IEJMFIAKNHFLBK-QWRGUYRKSA-N 1 1 390.433 -1.334 20 0 GAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582204292 1075907632 /nfs/dbraw/zinc/90/76/32/1075907632.db2.gz IEJMFIAKNHFLBK-WDEREUQCSA-N 1 1 390.433 -1.334 20 0 GAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582204384 1075908149 /nfs/dbraw/zinc/90/81/49/1075908149.db2.gz JTCJLYYPNVKSGW-INIZCTEOSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582204385 1075908252 /nfs/dbraw/zinc/90/82/52/1075908252.db2.gz JTCJLYYPNVKSGW-MRXNPFEDSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1cnnn1)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001582204388 1075908093 /nfs/dbraw/zinc/90/80/93/1075908093.db2.gz KBKZJDOBPSUUFN-LLVKDONJSA-N 1 1 385.392 -1.340 20 0 GAADMO O=C(Cn1cnnn1)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001582204389 1075908165 /nfs/dbraw/zinc/90/81/65/1075908165.db2.gz KBKZJDOBPSUUFN-NSHDSACASA-N 1 1 385.392 -1.340 20 0 GAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001582204527 1075908702 /nfs/dbraw/zinc/90/87/02/1075908702.db2.gz MXXCBVXERTZJFR-KBPBESRZSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001582204528 1075908660 /nfs/dbraw/zinc/90/86/60/1075908660.db2.gz MXXCBVXERTZJFR-KGLIPLIRSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001582204529 1075908651 /nfs/dbraw/zinc/90/86/51/1075908651.db2.gz MXXCBVXERTZJFR-UONOGXRCSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001582204530 1075908688 /nfs/dbraw/zinc/90/86/88/1075908688.db2.gz MXXCBVXERTZJFR-ZIAGYGMSSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582204613 1075908736 /nfs/dbraw/zinc/90/87/36/1075908736.db2.gz PESCUMCCZYXPAW-LLVKDONJSA-N 1 1 376.356 -1.741 20 0 GAADMO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582204614 1075908667 /nfs/dbraw/zinc/90/86/67/1075908667.db2.gz PESCUMCCZYXPAW-NSHDSACASA-N 1 1 376.356 -1.741 20 0 GAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582204758 1075909281 /nfs/dbraw/zinc/90/92/81/1075909281.db2.gz SKJRSJRTXWICAR-AWEZNQCLSA-N 1 1 390.433 -1.332 20 0 GAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582204759 1075909034 /nfs/dbraw/zinc/90/90/34/1075909034.db2.gz SKJRSJRTXWICAR-CQSZACIVSA-N 1 1 390.433 -1.332 20 0 GAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582204922 1075909556 /nfs/dbraw/zinc/90/95/56/1075909556.db2.gz WWFYVTARYTXYOV-KBPBESRZSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582204923 1075909643 /nfs/dbraw/zinc/90/96/43/1075909643.db2.gz WWFYVTARYTXYOV-KGLIPLIRSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582204924 1075909604 /nfs/dbraw/zinc/90/96/04/1075909604.db2.gz WWFYVTARYTXYOV-UONOGXRCSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582204925 1075909653 /nfs/dbraw/zinc/90/96/53/1075909653.db2.gz WWFYVTARYTXYOV-ZIAGYGMSSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582204987 1075909691 /nfs/dbraw/zinc/90/96/91/1075909691.db2.gz ZEJJOWVUHJTMJG-LLVKDONJSA-N 1 1 376.356 -1.741 20 0 GAADMO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582204988 1075909675 /nfs/dbraw/zinc/90/96/75/1075909675.db2.gz ZEJJOWVUHJTMJG-NSHDSACASA-N 1 1 376.356 -1.741 20 0 GAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582205651 1075912511 /nfs/dbraw/zinc/91/25/11/1075912511.db2.gz CSMXQLFAOBBPGH-INIZCTEOSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582205652 1075912558 /nfs/dbraw/zinc/91/25/58/1075912558.db2.gz CSMXQLFAOBBPGH-MRXNPFEDSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1ncnn1)N[C@@]1(CO)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582205874 1075913130 /nfs/dbraw/zinc/91/31/30/1075913130.db2.gz KLOOVYGNVUIXIM-HNNXBMFYSA-N 1 1 385.392 -1.604 20 0 GAADMO O=C(Cn1ncnn1)N[C@]1(CO)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582205875 1075912783 /nfs/dbraw/zinc/91/27/83/1075912783.db2.gz KLOOVYGNVUIXIM-OAHLLOKOSA-N 1 1 385.392 -1.604 20 0 GAADMO O=C(Cn1ncnn1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582206166 1075913496 /nfs/dbraw/zinc/91/34/96/1075913496.db2.gz MNVRQAIZODGTDI-LLVKDONJSA-N 1 1 376.356 -1.741 20 0 GAADMO O=C(Cn1ncnn1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582206167 1075913558 /nfs/dbraw/zinc/91/35/58/1075913558.db2.gz MNVRQAIZODGTDI-NSHDSACASA-N 1 1 376.356 -1.741 20 0 GAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582206363 1075913827 /nfs/dbraw/zinc/91/38/27/1075913827.db2.gz POOTWCVHFVUTGZ-KBPBESRZSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582206364 1075914046 /nfs/dbraw/zinc/91/40/46/1075914046.db2.gz POOTWCVHFVUTGZ-KGLIPLIRSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582206365 1075914022 /nfs/dbraw/zinc/91/40/22/1075914022.db2.gz POOTWCVHFVUTGZ-UONOGXRCSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582206366 1075913899 /nfs/dbraw/zinc/91/38/99/1075913899.db2.gz POOTWCVHFVUTGZ-ZIAGYGMSSA-N 1 1 384.404 -1.395 20 0 GAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582206420 1075914013 /nfs/dbraw/zinc/91/40/13/1075914013.db2.gz RMJZKKJAOFJFOF-INIZCTEOSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582206421 1075914000 /nfs/dbraw/zinc/91/40/00/1075914000.db2.gz RMJZKKJAOFJFOF-MRXNPFEDSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582206573 1075914032 /nfs/dbraw/zinc/91/40/32/1075914032.db2.gz TYXSPESCLNKZEQ-INIZCTEOSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582206574 1075913966 /nfs/dbraw/zinc/91/39/66/1075913966.db2.gz TYXSPESCLNKZEQ-MRXNPFEDSA-N 1 1 384.404 -1.394 20 0 GAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582206808 1075914301 /nfs/dbraw/zinc/91/43/01/1075914301.db2.gz WQKNEQNNRRECFB-AWEZNQCLSA-N 1 1 390.433 -1.332 20 0 GAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582206810 1075914391 /nfs/dbraw/zinc/91/43/91/1075914391.db2.gz WQKNEQNNRRECFB-CQSZACIVSA-N 1 1 390.433 -1.332 20 0 GAADMO O=C(Cn1ncnn1)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001582207399 1075915341 /nfs/dbraw/zinc/91/53/41/1075915341.db2.gz NFXIJYQLVPYNQD-LLVKDONJSA-N 1 1 385.392 -1.340 20 0 GAADMO O=C(Cn1ncnn1)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001582207400 1075915421 /nfs/dbraw/zinc/91/54/21/1075915421.db2.gz NFXIJYQLVPYNQD-NSHDSACASA-N 1 1 385.392 -1.340 20 0 GAADMO O=C(N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)C12CCC[NH+]1CCC2 ZINC001582207734 1075916407 /nfs/dbraw/zinc/91/64/07/1075916407.db2.gz DBGWEKBEYYWBLU-UHFFFAOYSA-N 1 1 387.448 -1.060 20 0 GAADMO O=C(N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582217311 1075916222 /nfs/dbraw/zinc/91/62/22/1075916222.db2.gz SIKQELLWDNLQRM-GFCCVEGCSA-N 1 1 385.432 -1.186 20 0 GAADMO O=C(N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582217312 1075916825 /nfs/dbraw/zinc/91/68/25/1075916825.db2.gz SIKQELLWDNLQRM-LBPRGKRZSA-N 1 1 385.432 -1.186 20 0 GAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCOCCO)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582241542 1075920394 /nfs/dbraw/zinc/92/03/94/1075920394.db2.gz IOVZHONOAPHLKC-INIZCTEOSA-N 1 1 379.421 -1.240 20 0 GAADMO O=C(N[C@]1(CO)CCC[N@H+](CCOCCO)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582241543 1075920307 /nfs/dbraw/zinc/92/03/07/1075920307.db2.gz IOVZHONOAPHLKC-MRXNPFEDSA-N 1 1 379.421 -1.240 20 0 GAADMO O=C(C[NH+]1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)N1CCC1 ZINC001582243536 1075920937 /nfs/dbraw/zinc/92/09/37/1075920937.db2.gz OHNVTOVJUITYLG-UHFFFAOYSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(C[NH+]1CCC(CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)N1CCC1 ZINC001582243700 1075921273 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1075929748 /nfs/dbraw/zinc/92/97/48/1075929748.db2.gz JAARLBMBLIECSX-TZMCWYRMSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582307983 1075929788 /nfs/dbraw/zinc/92/97/88/1075929788.db2.gz FQFIABRVZNBVNG-OLZOCXBDSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582307984 1075929736 /nfs/dbraw/zinc/92/97/36/1075929736.db2.gz FQFIABRVZNBVNG-STQMWFEESA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582308013 1075929779 /nfs/dbraw/zinc/92/97/79/1075929779.db2.gz LMWGVNRIOVNVHL-BXUZGUMPSA-N 1 1 388.432 -1.114 20 0 GAADMO O=C(N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582308013 1075929775 /nfs/dbraw/zinc/92/97/75/1075929775.db2.gz LMWGVNRIOVNVHL-BXUZGUMPSA-N 1 1 388.432 -1.114 20 0 GAADMO O=C(N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582308014 1075929724 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1075930364 /nfs/dbraw/zinc/93/03/64/1075930364.db2.gz ZCRLYKMGGVZSPK-BXUZGUMPSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)N1CCCC1 ZINC001582309170 1075930456 /nfs/dbraw/zinc/93/04/56/1075930456.db2.gz ZCRLYKMGGVZSPK-FZMZJTMJSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)N1CCCC1 ZINC001582309170 1075930451 /nfs/dbraw/zinc/93/04/51/1075930451.db2.gz ZCRLYKMGGVZSPK-FZMZJTMJSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)N1CCCC1 ZINC001582309171 1075930346 /nfs/dbraw/zinc/93/03/46/1075930346.db2.gz ZCRLYKMGGVZSPK-RISCZKNCSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)N1CCCC1 ZINC001582309171 1075930345 /nfs/dbraw/zinc/93/03/45/1075930345.db2.gz ZCRLYKMGGVZSPK-RISCZKNCSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1)N1CCCC1 ZINC001582309172 1075930269 /nfs/dbraw/zinc/93/02/69/1075930269.db2.gz ZCRLYKMGGVZSPK-SMDDNHRTSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1)N1CCCC1 ZINC001582309172 1075930263 /nfs/dbraw/zinc/93/02/63/1075930263.db2.gz ZCRLYKMGGVZSPK-SMDDNHRTSA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320126 1075931374 /nfs/dbraw/zinc/93/13/74/1075931374.db2.gz VWWVCJUPQNZAPG-NEPJUHHUSA-N 1 1 385.432 -1.192 20 0 GAADMO O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320127 1075931624 /nfs/dbraw/zinc/93/16/24/1075931624.db2.gz VWWVCJUPQNZAPG-NWDGAFQWSA-N 1 1 385.432 -1.192 20 0 GAADMO O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320128 1075931500 /nfs/dbraw/zinc/93/15/00/1075931500.db2.gz VWWVCJUPQNZAPG-RYUDHWBXSA-N 1 1 385.432 -1.192 20 0 GAADMO O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320129 1075931361 /nfs/dbraw/zinc/93/13/61/1075931361.db2.gz VWWVCJUPQNZAPG-VXGBXAGGSA-N 1 1 385.432 -1.192 20 0 GAADMO O=C(N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001582321696 1075931994 /nfs/dbraw/zinc/93/19/94/1075931994.db2.gz GAAXMKDGYGCHAS-GWCFXTLKSA-N 1 1 383.372 -1.285 20 0 GAADMO O=C(N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001582321697 1075932150 /nfs/dbraw/zinc/93/21/50/1075932150.db2.gz GAAXMKDGYGCHAS-GXFFZTMASA-N 1 1 383.372 -1.285 20 0 GAADMO O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001582321698 1075931987 /nfs/dbraw/zinc/93/19/87/1075931987.db2.gz GAAXMKDGYGCHAS-MFKMUULPSA-N 1 1 383.372 -1.285 20 0 GAADMO O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001582321699 1075931982 /nfs/dbraw/zinc/93/19/82/1075931982.db2.gz GAAXMKDGYGCHAS-ZWNOBZJWSA-N 1 1 383.372 -1.285 20 0 GAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1c[nH]c(=O)cn1 ZINC001582341079 1075935866 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OSNGHSIZYIMBIM-TZMCWYRMSA-N 1 1 380.380 -1.012 20 0 GAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COCCO1 ZINC001582345037 1075937962 /nfs/dbraw/zinc/93/79/62/1075937962.db2.gz BGBXQUGDJAMJQW-GXTWGEPZSA-N 1 1 380.380 -1.012 20 0 GAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COCCO1 ZINC001582345041 1075937966 /nfs/dbraw/zinc/93/79/66/1075937966.db2.gz BGBXQUGDJAMJQW-JSGCOSHPSA-N 1 1 380.380 -1.012 20 0 GAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COCCO1 ZINC001582345044 1075937762 /nfs/dbraw/zinc/93/77/62/1075937762.db2.gz BGBXQUGDJAMJQW-OCCSQVGLSA-N 1 1 380.380 -1.012 20 0 GAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COCCO1 ZINC001582345048 1075937804 /nfs/dbraw/zinc/93/78/04/1075937804.db2.gz BGBXQUGDJAMJQW-TZMCWYRMSA-N 1 1 380.380 -1.012 20 0 GAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c[nH]c(=O)cn1 ZINC001582345342 1075938281 /nfs/dbraw/zinc/93/82/81/1075938281.db2.gz DGRZTKJQOQUROO-LLVKDONJSA-N 1 1 388.363 -1.030 20 0 GAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c[nH]c(=O)cn1 ZINC001582345343 1075938165 /nfs/dbraw/zinc/93/81/65/1075938165.db2.gz DGRZTKJQOQUROO-NSHDSACASA-N 1 1 388.363 -1.030 20 0 GAADMO O=C(NCC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582356956 1075941966 /nfs/dbraw/zinc/94/19/66/1075941966.db2.gz CMBFONQCBLGLBH-VXGBXAGGSA-N 1 1 395.370 -1.091 20 0 GAADMO O=C(NCC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582356956 1075941962 /nfs/dbraw/zinc/94/19/62/1075941962.db2.gz CMBFONQCBLGLBH-VXGBXAGGSA-N 1 1 395.370 -1.091 20 0 GAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582372968 1075945401 /nfs/dbraw/zinc/94/54/01/1075945401.db2.gz QHXVVMFSYMTRQY-SECBINFHSA-N 1 1 378.372 -1.364 20 0 GAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582372969 1075945393 /nfs/dbraw/zinc/94/53/93/1075945393.db2.gz QHXVVMFSYMTRQY-VIFPVBQESA-N 1 1 378.372 -1.364 20 0 GAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582373610 1075945175 /nfs/dbraw/zinc/94/51/75/1075945175.db2.gz UTPQVVXZIKNNNB-JTQLQIEISA-N 1 1 378.372 -1.364 20 0 GAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582373611 1075945252 /nfs/dbraw/zinc/94/52/52/1075945252.db2.gz UTPQVVXZIKNNNB-SNVBAGLBSA-N 1 1 378.372 -1.364 20 0 GAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCCC1 ZINC001582406219 1075952211 /nfs/dbraw/zinc/95/22/11/1075952211.db2.gz BRVCCMYXECTQFG-KRWDZBQOSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCCC1 ZINC001582406219 1075952204 /nfs/dbraw/zinc/95/22/04/1075952204.db2.gz BRVCCMYXECTQFG-KRWDZBQOSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCCC1 ZINC001582406220 1075952752 /nfs/dbraw/zinc/95/27/52/1075952752.db2.gz BRVCCMYXECTQFG-QGZVFWFLSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCCC1 ZINC001582406220 1075952744 /nfs/dbraw/zinc/95/27/44/1075952744.db2.gz BRVCCMYXECTQFG-QGZVFWFLSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582406225 1075952670 /nfs/dbraw/zinc/95/26/70/1075952670.db2.gz BVYDPFROJLTYHS-INIZCTEOSA-N 1 1 389.420 -1.613 20 0 GAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582406226 1075952847 /nfs/dbraw/zinc/95/28/47/1075952847.db2.gz BVYDPFROJLTYHS-MRXNPFEDSA-N 1 1 389.420 -1.613 20 0 GAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCCC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582406386 1075952908 /nfs/dbraw/zinc/95/29/08/1075952908.db2.gz FUJREBZNRVQPKZ-KRWDZBQOSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCCC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582406387 1075952771 /nfs/dbraw/zinc/95/27/71/1075952771.db2.gz FUJREBZNRVQPKZ-QGZVFWFLSA-N 1 1 388.432 -1.016 20 0 GAADMO 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O=C(NC[C@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582406666 1075953193 /nfs/dbraw/zinc/95/31/93/1075953193.db2.gz MDNNCEZNBLMWDF-QGZVFWFLSA-N 1 1 388.432 -1.112 20 0 GAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCCC1 ZINC001582406905 1075953371 /nfs/dbraw/zinc/95/33/71/1075953371.db2.gz QMTAVEWEIQCOMY-KRWDZBQOSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCCC1 ZINC001582406905 1075953368 /nfs/dbraw/zinc/95/33/68/1075953368.db2.gz QMTAVEWEIQCOMY-KRWDZBQOSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCCC1 ZINC001582406906 1075953217 /nfs/dbraw/zinc/95/32/17/1075953217.db2.gz QMTAVEWEIQCOMY-QGZVFWFLSA-N 1 1 388.432 -1.016 20 0 GAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCCC1 ZINC001582406906 1075953210 /nfs/dbraw/zinc/95/32/10/1075953210.db2.gz QMTAVEWEIQCOMY-QGZVFWFLSA-N 1 1 388.432 -1.016 20 0 GAADMO 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O=C(NC[C@@H]1CC[N@@H+]1C[C@H](O)CN1CCCC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582469852 1075963690 /nfs/dbraw/zinc/96/36/90/1075963690.db2.gz DFDPSSKITHTUGK-STQMWFEESA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(NC[C@@H]1CC[N@H+]1C[C@H](O)CN1CCCC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582469852 1075963686 /nfs/dbraw/zinc/96/36/86/1075963686.db2.gz DFDPSSKITHTUGK-STQMWFEESA-N 1 1 388.432 -1.018 20 0 GAADMO O=C(NC[C@@H]1CC[N@H+]1CCCN1C(=O)CNC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582470395 1075963586 /nfs/dbraw/zinc/96/35/86/1075963586.db2.gz HVVFSHRZAZRYBQ-JTQLQIEISA-N 1 1 387.404 -1.059 20 0 GAADMO O=C(NC[C@@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582470395 1075963581 /nfs/dbraw/zinc/96/35/81/1075963581.db2.gz HVVFSHRZAZRYBQ-JTQLQIEISA-N 1 1 387.404 -1.059 20 0 GAADMO O=C(NC[C@H]1CC[N@H+]1CCCN1C(=O)CNC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582470398 1075963552 /nfs/dbraw/zinc/96/35/52/1075963552.db2.gz HVVFSHRZAZRYBQ-SNVBAGLBSA-N 1 1 387.404 -1.059 20 0 GAADMO O=C(NC[C@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582470398 1075963547 /nfs/dbraw/zinc/96/35/47/1075963547.db2.gz HVVFSHRZAZRYBQ-SNVBAGLBSA-N 1 1 387.404 -1.059 20 0 GAADMO O=C(NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1)[C@H]1COCCO1 ZINC001582484634 1075966607 /nfs/dbraw/zinc/96/66/07/1075966607.db2.gz FNPRPSFAENEGLU-BXUZGUMPSA-N 1 1 375.389 -1.002 20 0 GAADMO O=C(NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1)[C@@H]1COCCO1 ZINC001582484635 1075966354 /nfs/dbraw/zinc/96/63/54/1075966354.db2.gz FNPRPSFAENEGLU-FZMZJTMJSA-N 1 1 375.389 -1.002 20 0 GAADMO O=C(NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1)[C@@H]1COCCO1 ZINC001582484636 1075966545 /nfs/dbraw/zinc/96/65/45/1075966545.db2.gz FNPRPSFAENEGLU-RISCZKNCSA-N 1 1 375.389 -1.002 20 0 GAADMO O=C(NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1)[C@H]1COCCO1 ZINC001582484637 1075966368 /nfs/dbraw/zinc/96/63/68/1075966368.db2.gz FNPRPSFAENEGLU-SMDDNHRTSA-N 1 1 375.389 -1.002 20 0 GAADMO O=C(NCCC[NH+]1CCN([C@H]2CCNC2=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582507336 1075969576 /nfs/dbraw/zinc/96/95/76/1075969576.db2.gz XHVPDNLZILEOQG-AWEZNQCLSA-N 1 1 387.448 -1.179 20 0 GAADMO O=C(NCCC[NH+]1CCN([C@@H]2CCNC2=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582507338 1075969621 /nfs/dbraw/zinc/96/96/21/1075969621.db2.gz XHVPDNLZILEOQG-CQSZACIVSA-N 1 1 387.448 -1.179 20 0 GAADMO O=C(NCCN1CC[NH+](CCn2cncn2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582523830 1075972403 /nfs/dbraw/zinc/97/24/03/1075972403.db2.gz DRSVGLYADNPRNZ-UHFFFAOYSA-N 1 1 385.436 -1.166 20 0 GAADMO O=C(NCCN1CC[NH+](CCn2cncn2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582524524 1075972950 /nfs/dbraw/zinc/97/29/50/1075972950.db2.gz NRRBOPRXFVHDQW-UHFFFAOYSA-N 1 1 385.436 -1.166 20 0 GAADMO O=C(NCCN1CC[NH+](CCn2cncn2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582524586 1075972803 /nfs/dbraw/zinc/97/28/03/1075972803.db2.gz PQYZIGFTXHZKEJ-UHFFFAOYSA-N 1 1 385.436 -1.166 20 0 GAADMO 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O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CNC(=O)N1 ZINC001582784584 1076041616 /nfs/dbraw/zinc/04/16/16/1076041616.db2.gz QCFJTEIWZJLCTN-DYVFJYSZSA-N 1 1 386.416 -1.399 20 0 GAADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001582784585 1076041722 /nfs/dbraw/zinc/04/17/22/1076041722.db2.gz QCFJTEIWZJLCTN-GUYCJALGSA-N 1 1 386.416 -1.399 20 0 GAADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001582784586 1076041649 /nfs/dbraw/zinc/04/16/49/1076041649.db2.gz QCFJTEIWZJLCTN-SUMWQHHRSA-N 1 1 386.416 -1.399 20 0 GAADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CNC(=O)N1 ZINC001582785187 1076043262 /nfs/dbraw/zinc/04/32/62/1076043262.db2.gz WNXFNBGIPCIEGL-CXAGYDPISA-N 1 1 386.416 -1.399 20 0 GAADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CNC(=O)N1 ZINC001582785188 1076043216 /nfs/dbraw/zinc/04/32/16/1076043216.db2.gz WNXFNBGIPCIEGL-DYVFJYSZSA-N 1 1 386.416 -1.399 20 0 GAADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CNC(=O)N1 ZINC001582785189 1076043250 /nfs/dbraw/zinc/04/32/50/1076043250.db2.gz WNXFNBGIPCIEGL-GUYCJALGSA-N 1 1 386.416 -1.399 20 0 GAADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CNC(=O)N1 ZINC001582785190 1076043384 /nfs/dbraw/zinc/04/33/84/1076043384.db2.gz WNXFNBGIPCIEGL-SUMWQHHRSA-N 1 1 386.416 -1.399 20 0 GAADMO O=C(NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1)[C@H]1CNC(=O)N1 ZINC001582785197 1076043301 /nfs/dbraw/zinc/04/33/01/1076043301.db2.gz WTODOLQCOVLKGY-CMPLNLGQSA-N 1 1 387.404 -1.345 20 0 GAADMO O=C(NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1)[C@@H]1CNC(=O)N1 ZINC001582785198 1076043190 /nfs/dbraw/zinc/04/31/90/1076043190.db2.gz WTODOLQCOVLKGY-JQWIXIFHSA-N 1 1 387.404 -1.345 20 0 GAADMO O=C(NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1)[C@@H]1CNC(=O)N1 ZINC001582785199 1076043344 /nfs/dbraw/zinc/04/33/44/1076043344.db2.gz WTODOLQCOVLKGY-PWSUYJOCSA-N 1 1 387.404 -1.345 20 0 GAADMO O=C(NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1)[C@H]1CNC(=O)N1 ZINC001582785200 1076043408 /nfs/dbraw/zinc/04/34/08/1076043408.db2.gz WTODOLQCOVLKGY-ZYHUDNBSSA-N 1 1 387.404 -1.345 20 0 GAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CNC(=O)N1 ZINC001582785379 1076044157 /nfs/dbraw/zinc/04/41/57/1076044157.db2.gz YBFYRFWLGGYXQV-CMPLNLGQSA-N 1 1 378.368 -1.746 20 0 GAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CNC(=O)N1 ZINC001582785380 1076044063 /nfs/dbraw/zinc/04/40/63/1076044063.db2.gz YBFYRFWLGGYXQV-JQWIXIFHSA-N 1 1 378.368 -1.746 20 0 GAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CNC(=O)N1 ZINC001582785382 1076044040 /nfs/dbraw/zinc/04/40/40/1076044040.db2.gz YBFYRFWLGGYXQV-PWSUYJOCSA-N 1 1 378.368 -1.746 20 0 GAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CNC(=O)N1 ZINC001582785384 1076044128 /nfs/dbraw/zinc/04/41/28/1076044128.db2.gz YBFYRFWLGGYXQV-ZYHUDNBSSA-N 1 1 378.368 -1.746 20 0 GAADMO O=C(N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582786333 1076045644 /nfs/dbraw/zinc/04/56/44/1076045644.db2.gz ZCUYRBGCRVUYFG-BFHYXJOUSA-N 1 1 389.391 -1.197 20 0 GAADMO O=C(N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582786333 1076045639 /nfs/dbraw/zinc/04/56/39/1076045639.db2.gz ZCUYRBGCRVUYFG-BFHYXJOUSA-N 1 1 389.391 -1.197 20 0 GAADMO O=C(N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582786334 1076045816 /nfs/dbraw/zinc/04/58/16/1076045816.db2.gz ZCUYRBGCRVUYFG-MGPQQGTHSA-N 1 1 389.391 -1.197 20 0 GAADMO O=C(N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582786334 1076045814 /nfs/dbraw/zinc/04/58/14/1076045814.db2.gz ZCUYRBGCRVUYFG-MGPQQGTHSA-N 1 1 389.391 -1.197 20 0 GAADMO O=C(N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787175 1076046499 /nfs/dbraw/zinc/04/64/99/1076046499.db2.gz WRDUMWVSJAPSMC-JHJVBQTASA-N 1 1 390.379 -1.652 20 0 GAADMO O=C(N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787175 1076046497 /nfs/dbraw/zinc/04/64/97/1076046497.db2.gz WRDUMWVSJAPSMC-JHJVBQTASA-N 1 1 390.379 -1.652 20 0 GAADMO O=C(N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787176 1076046637 /nfs/dbraw/zinc/04/66/37/1076046637.db2.gz WRDUMWVSJAPSMC-YNEHKIRRSA-N 1 1 390.379 -1.652 20 0 GAADMO O=C(N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787176 1076046633 /nfs/dbraw/zinc/04/66/33/1076046633.db2.gz WRDUMWVSJAPSMC-YNEHKIRRSA-N 1 1 390.379 -1.652 20 0 GAADMO COCC[NH+](CCOC)C1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC001583372615 1076050828 /nfs/dbraw/zinc/05/08/28/1076050828.db2.gz GZCPCSCAYPHTDZ-UHFFFAOYSA-N 1 1 375.451 -1.664 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001583650842 1076050765 /nfs/dbraw/zinc/05/07/65/1076050765.db2.gz ATFHFXWHDDHILN-CYBMUJFWSA-N 1 1 376.479 -1.902 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001583650842 1076050759 /nfs/dbraw/zinc/05/07/59/1076050759.db2.gz ATFHFXWHDDHILN-CYBMUJFWSA-N 1 1 376.479 -1.902 20 0 GAADMO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001584032542 1076051042 /nfs/dbraw/zinc/05/10/42/1076051042.db2.gz JXUGYCLZGIRCKT-NSHDSACASA-N 1 1 377.463 -1.369 20 0 GAADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H](CO)NC(N)=O)cc1 ZINC001584952567 1076052712 /nfs/dbraw/zinc/05/27/12/1076052712.db2.gz IIFKHQJLCCHYAF-HNNXBMFYSA-N 1 1 392.460 -1.136 20 0 GAADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H](CO)NC(N)=O)cc1 ZINC001584952573 1076052646 /nfs/dbraw/zinc/05/26/46/1076052646.db2.gz IIFKHQJLCCHYAF-OAHLLOKOSA-N 1 1 392.460 -1.136 20 0 GAADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001585067540 1076052926 /nfs/dbraw/zinc/05/29/26/1076052926.db2.gz SUGMVKPAUOHWMF-GFCCVEGCSA-N 1 1 384.458 -1.087 20 0 GAADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001585067543 1076052837 /nfs/dbraw/zinc/05/28/37/1076052837.db2.gz SUGMVKPAUOHWMF-LBPRGKRZSA-N 1 1 384.458 -1.087 20 0 GAADMO Cn1c2[nH]c(CCC(=O)NCC[N@H+]3CCC4(C3)OCCO4)nc2c(=O)[nH]c1=O ZINC001585225612 1076053094 /nfs/dbraw/zinc/05/30/94/1076053094.db2.gz XLZKOVDPQSGLIZ-UHFFFAOYSA-N 1 1 392.416 -1.140 20 0 GAADMO Cn1c2[nH]c(CCC(=O)NCC[N@@H+]3CCC4(C3)OCCO4)nc2c(=O)[nH]c1=O ZINC001585225612 1076053088 /nfs/dbraw/zinc/05/30/88/1076053088.db2.gz XLZKOVDPQSGLIZ-UHFFFAOYSA-N 1 1 392.416 -1.140 20 0 GAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(S(N)(=O)=O)nc3)CC2)CC1 ZINC001585236491 1076053130 /nfs/dbraw/zinc/05/31/30/1076053130.db2.gz CHAPTFHQRGTZLS-UHFFFAOYSA-N 1 1 396.473 -1.146 20 0 GAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccnc(S(N)(=O)=O)c3)CC2)CC1 ZINC001585236877 1076053185 /nfs/dbraw/zinc/05/31/85/1076053185.db2.gz GRFLCRPVEFJTBN-UHFFFAOYSA-N 1 1 396.473 -1.146 20 0 GAADMO CCS(=O)(=O)N(C)CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001585237092 1076053292 /nfs/dbraw/zinc/05/32/92/1076053292.db2.gz JHLQVOWJLRKQDE-UHFFFAOYSA-N 1 1 375.495 -1.221 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001585417844 1076053600 /nfs/dbraw/zinc/05/36/00/1076053600.db2.gz IKLBMZISGMXLGT-AWEZNQCLSA-N 1 1 391.538 -1.427 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001585417845 1076053503 /nfs/dbraw/zinc/05/35/03/1076053503.db2.gz IKLBMZISGMXLGT-CQSZACIVSA-N 1 1 391.538 -1.427 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001585926082 1076054104 /nfs/dbraw/zinc/05/41/04/1076054104.db2.gz FOUBHMWSIDNHSF-CYBMUJFWSA-N 1 1 377.511 -1.818 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001585926083 1076053990 /nfs/dbraw/zinc/05/39/90/1076053990.db2.gz FOUBHMWSIDNHSF-ZDUSSCGKSA-N 1 1 377.511 -1.818 20 0 GAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001586275166 1076054330 /nfs/dbraw/zinc/05/43/30/1076054330.db2.gz HGCDDJAGTLYDKU-BZUAXINKSA-N 1 1 392.460 -1.857 20 0 GAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 ZINC001586281378 1076054302 /nfs/dbraw/zinc/05/43/02/1076054302.db2.gz UHNWRZSRRPDWBC-UHFFFAOYSA-N 1 1 383.474 -1.263 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)NC3CC[NH+](CC(N)=O)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001586424231 1076054688 /nfs/dbraw/zinc/05/46/88/1076054688.db2.gz RRGVPLBTIAPPPU-RBSFLKMASA-N 1 1 378.433 -2.024 20 0 GAADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001586991659 1076055921 /nfs/dbraw/zinc/05/59/21/1076055921.db2.gz AWDVRPOHDQXXJJ-ZDUSSCGKSA-N 1 1 392.522 -1.218 20 0 GAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001586992425 1076055786 /nfs/dbraw/zinc/05/57/86/1076055786.db2.gz YEVFJISJMNTMCK-HZSPNIEDSA-N 1 1 387.502 -1.017 20 0 GAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001586992426 1076055810 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DKZACFYJSNHREV-GOSISDBHSA-N 1 1 376.413 -1.350 20 0 GAADMO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@]2(CO)COCC[NH2+]2)c1=O ZINC001587408564 1076056437 /nfs/dbraw/zinc/05/64/37/1076056437.db2.gz DKZACFYJSNHREV-SFHVURJKSA-N 1 1 376.413 -1.350 20 0 GAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001587409229 1076056377 /nfs/dbraw/zinc/05/63/77/1076056377.db2.gz MFYXAMIDBARKCC-HUBLWGQQSA-N 1 1 375.447 -2.511 20 0 GAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001587409230 1076056422 /nfs/dbraw/zinc/05/64/22/1076056422.db2.gz MFYXAMIDBARKCC-JMSVASOKSA-N 1 1 375.447 -2.511 20 0 GAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001587409231 1076056365 /nfs/dbraw/zinc/05/63/65/1076056365.db2.gz MFYXAMIDBARKCC-XUJVJEKNSA-N 1 1 375.447 -2.511 20 0 GAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001587409232 1076056474 /nfs/dbraw/zinc/05/64/74/1076056474.db2.gz MFYXAMIDBARKCC-ZOWXZIJZSA-N 1 1 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C[N@@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591179881 1076132732 /nfs/dbraw/zinc/13/27/32/1076132732.db2.gz FHWUXENDPPVSAH-MRXNPFEDSA-N 1 1 394.457 -1.036 20 0 GAADMO C[NH+]1CCC2(CC1)CN(C(=O)NCCn1cnc(-c3nn[nH]n3)n1)CCO2 ZINC001591181637 1076132752 /nfs/dbraw/zinc/13/27/52/1076132752.db2.gz AZDKTUGVMYNXOM-UHFFFAOYSA-N 1 1 376.425 -1.036 20 0 GAADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 ZINC001591189599 1076133619 /nfs/dbraw/zinc/13/36/19/1076133619.db2.gz LENWSBQCILPVTO-UHFFFAOYSA-N 1 1 380.434 -1.296 20 0 GAADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001591189883 1076133648 /nfs/dbraw/zinc/13/36/48/1076133648.db2.gz XDOQHVLZEUOPKE-UHFFFAOYSA-N 1 1 380.434 -1.296 20 0 GAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCc1ccc(-c2nn[nH]n2)cc1 ZINC001591191239 1076133741 /nfs/dbraw/zinc/13/37/41/1076133741.db2.gz AXHZEMWVTOSRSK-HNNXBMFYSA-N 1 1 386.460 -1.113 20 0 GAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCc1ccc(-c2nn[nH]n2)cc1 ZINC001591191240 1076133723 /nfs/dbraw/zinc/13/37/23/1076133723.db2.gz AXHZEMWVTOSRSK-OAHLLOKOSA-N 1 1 386.460 -1.113 20 0 GAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)C1 ZINC001591194926 1076135245 /nfs/dbraw/zinc/13/52/45/1076135245.db2.gz NBRITXPTANDNPC-KBPBESRZSA-N 1 1 388.432 -1.086 20 0 GAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)C1 ZINC001591194926 1076135242 /nfs/dbraw/zinc/13/52/42/1076135242.db2.gz NBRITXPTANDNPC-KBPBESRZSA-N 1 1 388.432 -1.086 20 0 GAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)C1 ZINC001591194927 1076135407 /nfs/dbraw/zinc/13/54/07/1076135407.db2.gz NBRITXPTANDNPC-KGLIPLIRSA-N 1 1 388.432 -1.086 20 0 GAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)C1 ZINC001591194927 1076135404 /nfs/dbraw/zinc/13/54/04/1076135404.db2.gz NBRITXPTANDNPC-KGLIPLIRSA-N 1 1 388.432 -1.086 20 0 GAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)C1 ZINC001591194928 1076135202 /nfs/dbraw/zinc/13/52/02/1076135202.db2.gz NBRITXPTANDNPC-UONOGXRCSA-N 1 1 388.432 -1.086 20 0 GAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)C1 ZINC001591194928 1076135200 /nfs/dbraw/zinc/13/52/00/1076135200.db2.gz NBRITXPTANDNPC-UONOGXRCSA-N 1 1 388.432 -1.086 20 0 GAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)C1 ZINC001591194929 1076135374 /nfs/dbraw/zinc/13/53/74/1076135374.db2.gz NBRITXPTANDNPC-ZIAGYGMSSA-N 1 1 388.432 -1.086 20 0 GAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)C1 ZINC001591194929 1076135372 /nfs/dbraw/zinc/13/53/72/1076135372.db2.gz NBRITXPTANDNPC-ZIAGYGMSSA-N 1 1 388.432 -1.086 20 0 GAADMO CNC(=O)C1(C(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001591202473 1076137448 /nfs/dbraw/zinc/13/74/48/1076137448.db2.gz LPFPITJVOSTWDJ-INIZCTEOSA-N 1 1 386.416 -1.155 20 0 GAADMO CNC(=O)C1(C(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001591202474 1076137260 /nfs/dbraw/zinc/13/72/60/1076137260.db2.gz LPFPITJVOSTWDJ-MRXNPFEDSA-N 1 1 386.416 -1.155 20 0 GAADMO CNC(=O)CN1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591208826 1076139290 /nfs/dbraw/zinc/13/92/90/1076139290.db2.gz IPEDDMVEOUALEL-INIZCTEOSA-N 1 1 384.444 -1.056 20 0 GAADMO CNC(=O)CN1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591208827 1076139211 /nfs/dbraw/zinc/13/92/11/1076139211.db2.gz IPEDDMVEOUALEL-MRXNPFEDSA-N 1 1 384.444 -1.056 20 0 GAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001591208856 1076139269 /nfs/dbraw/zinc/13/92/69/1076139269.db2.gz JTTLGMDKHZTMNH-UHFFFAOYSA-N 1 1 375.437 -1.322 20 0 GAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001591209090 1076139238 /nfs/dbraw/zinc/13/92/38/1076139238.db2.gz SJMADVWLMRGICW-UHFFFAOYSA-N 1 1 375.437 -1.322 20 0 GAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001591219316 1076141157 /nfs/dbraw/zinc/14/11/57/1076141157.db2.gz KLVXCRCKDMLXHR-ZYHUDNBSSA-N 1 1 396.433 -2.133 20 0 GAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001591219407 1076141063 /nfs/dbraw/zinc/14/10/63/1076141063.db2.gz HBFVJFLABDIJBI-OLZOCXBDSA-N 1 1 395.445 -1.923 20 0 GAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001591219407 1076141059 /nfs/dbraw/zinc/14/10/59/1076141059.db2.gz HBFVJFLABDIJBI-OLZOCXBDSA-N 1 1 395.445 -1.923 20 0 GAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1OC ZINC001591219453 1076141593 /nfs/dbraw/zinc/14/15/93/1076141593.db2.gz IQTOFWDAOVMWRJ-ZYHUDNBSSA-N 1 1 396.433 -1.869 20 0 GAADMO CNS(=O)(=O)CCC[NH+]1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591219700 1076141609 /nfs/dbraw/zinc/14/16/09/1076141609.db2.gz RJGRTIFNKZLXIS-UHFFFAOYSA-N 1 1 383.482 -1.030 20 0 GAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001591220079 1076142134 /nfs/dbraw/zinc/14/21/34/1076142134.db2.gz KYDRZKCQDYVFLI-KOLCDFICSA-N 1 1 395.449 -1.601 20 0 GAADMO CNS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001591220286 1076142632 /nfs/dbraw/zinc/14/26/32/1076142632.db2.gz LWWFXAGJIHWUPU-UHFFFAOYSA-N 1 1 375.436 -1.826 20 0 GAADMO COC(=O)C1CC[NH+](CCCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001591253840 1076144774 /nfs/dbraw/zinc/14/47/74/1076144774.db2.gz VGQLLTMGSCQHAI-UHFFFAOYSA-N 1 1 377.409 -1.151 20 0 GAADMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001591281862 1076147427 /nfs/dbraw/zinc/14/74/27/1076147427.db2.gz MNRBGMNBZSGGSR-CMPLNLGQSA-N 1 1 382.402 -1.045 20 0 GAADMO COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001591285986 1076147293 /nfs/dbraw/zinc/14/72/93/1076147293.db2.gz PBBFIFJSUFDPHG-HNNXBMFYSA-N 1 1 396.429 -1.002 20 0 GAADMO COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001591285987 1076147466 /nfs/dbraw/zinc/14/74/66/1076147466.db2.gz PBBFIFJSUFDPHG-OAHLLOKOSA-N 1 1 396.429 -1.002 20 0 GAADMO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591388098 1076150737 /nfs/dbraw/zinc/15/07/37/1076150737.db2.gz SDEFQNFOFMEGPN-ABAIWWIYSA-N 1 1 379.425 -1.175 20 0 GAADMO COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591388099 1076150650 /nfs/dbraw/zinc/15/06/50/1076150650.db2.gz SDEFQNFOFMEGPN-IAQYHMDHSA-N 1 1 379.425 -1.175 20 0 GAADMO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591388100 1076150778 /nfs/dbraw/zinc/15/07/78/1076150778.db2.gz SDEFQNFOFMEGPN-NHYWBVRUSA-N 1 1 379.425 -1.175 20 0 GAADMO COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591388101 1076150722 /nfs/dbraw/zinc/15/07/22/1076150722.db2.gz SDEFQNFOFMEGPN-XHDPSFHLSA-N 1 1 379.425 -1.175 20 0 GAADMO COCCCOCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001591418667 1076151654 /nfs/dbraw/zinc/15/16/54/1076151654.db2.gz SZLQIJOKILCFEV-OCCSQVGLSA-N 1 1 377.405 -1.020 20 0 GAADMO COCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001591420782 1076151777 /nfs/dbraw/zinc/15/17/77/1076151777.db2.gz PMNJXNGTSSYMPX-UHFFFAOYSA-N 1 1 397.461 -1.161 20 0 GAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591420887 1076151685 /nfs/dbraw/zinc/15/16/85/1076151685.db2.gz KZWSVVJVQMDHCB-AWEZNQCLSA-N 1 1 393.496 -1.030 20 0 GAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591420891 1076151747 /nfs/dbraw/zinc/15/17/47/1076151747.db2.gz KZWSVVJVQMDHCB-CQSZACIVSA-N 1 1 393.496 -1.030 20 0 GAADMO COCC[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001591423709 1076152241 /nfs/dbraw/zinc/15/22/41/1076152241.db2.gz VVRGIOHEJUHYCC-GFCCVEGCSA-N 1 1 390.404 -1.322 20 0 GAADMO COCC[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001591423709 1076152237 /nfs/dbraw/zinc/15/22/37/1076152237.db2.gz VVRGIOHEJUHYCC-GFCCVEGCSA-N 1 1 390.404 -1.322 20 0 GAADMO 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CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC001626823380 1076460381 /nfs/dbraw/zinc/46/03/81/1076460381.db2.gz UWKNXDIIOQKYSJ-ZIAGYGMSSA-N 1 1 392.522 -1.266 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]([N@H+]4CC[C@H](O)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001626953436 1076460982 /nfs/dbraw/zinc/46/09/82/1076460982.db2.gz AEXGJYWTKJYJHF-AALSBFMBSA-N 1 1 377.445 -1.422 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]([N@H+]4CC[C@@H](O)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001626953438 1076460954 /nfs/dbraw/zinc/46/09/54/1076460954.db2.gz AEXGJYWTKJYJHF-OXGONZEZSA-N 1 1 377.445 -1.422 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]([N@H+]4CC[C@@H](O)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001626953441 1076461021 /nfs/dbraw/zinc/46/10/21/1076461021.db2.gz AEXGJYWTKJYJHF-UYJHQMFVSA-N 1 1 377.445 -1.422 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001626953444 1076461011 /nfs/dbraw/zinc/46/10/11/1076461011.db2.gz 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378.433 -1.856 20 0 GAADMO COC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001628439107 1076465165 /nfs/dbraw/zinc/46/51/65/1076465165.db2.gz MLRYHMFSBRVDDV-BETUJISGSA-N 1 1 384.433 -1.246 20 0 GAADMO COC(=O)[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001628439108 1076465138 /nfs/dbraw/zinc/46/51/38/1076465138.db2.gz MLRYHMFSBRVDDV-CHWSQXEVSA-N 1 1 384.433 -1.246 20 0 GAADMO COC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001628439109 1076465152 /nfs/dbraw/zinc/46/51/52/1076465152.db2.gz MLRYHMFSBRVDDV-STQMWFEESA-N 1 1 384.433 -1.246 20 0 GAADMO CN(C)S(=O)(=O)C1(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628439712 1076465214 /nfs/dbraw/zinc/46/52/14/1076465214.db2.gz WNRXOVYMNFQJSI-UHFFFAOYSA-N 1 1 375.495 -1.126 20 0 GAADMO Cn1ccn2c(CNC(=O)NCCC(=O)N3CC[NH+](C)CC3)nnc2c1=O ZINC001628439719 1076465129 /nfs/dbraw/zinc/46/51/29/1076465129.db2.gz WUQKCKMSAJCJRN-UHFFFAOYSA-N 1 1 376.421 -1.609 20 0 GAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001628767390 1076466655 /nfs/dbraw/zinc/46/66/55/1076466655.db2.gz NHMNMAQANVGPMN-KBXCAEBGSA-N 1 1 387.444 -1.069 20 0 GAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001628767391 1076466674 /nfs/dbraw/zinc/46/66/74/1076466674.db2.gz NHMNMAQANVGPMN-KSSFIOAISA-N 1 1 387.444 -1.069 20 0 GAADMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001628961267 1076466933 /nfs/dbraw/zinc/46/69/33/1076466933.db2.gz XDSBXTKKDHMQBK-CABCVRRESA-N 1 1 381.454 -1.217 20 0 GAADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001628961268 1076466973 /nfs/dbraw/zinc/46/69/73/1076466973.db2.gz XDSBXTKKDHMQBK-GJZGRUSLSA-N 1 1 381.454 -1.217 20 0 GAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001628976414 1076466891 /nfs/dbraw/zinc/46/68/91/1076466891.db2.gz ZMOMEVAGWMJGBU-CHWSQXEVSA-N 1 1 385.490 -1.486 20 0 GAADMO 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Cn1cc([C@@H]2[C@@H](C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001640863296 1076513267 /nfs/dbraw/zinc/51/32/67/1076513267.db2.gz QZBKHYWGONMIOG-QBPKDAKJSA-N 1 1 391.472 -1.032 20 0 GAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001640863299 1076513282 /nfs/dbraw/zinc/51/32/82/1076513282.db2.gz QZBKHYWGONMIOG-YLFCFFPRSA-N 1 1 391.472 -1.032 20 0 GAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001641379860 1076514326 /nfs/dbraw/zinc/51/43/26/1076514326.db2.gz HRVBFZYXBDZSLT-MGPQQGTHSA-N 1 1 377.449 -1.063 20 0 GAADMO CN1CCn2ncc(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)c2S1(=O)=O ZINC001641703963 1076514557 /nfs/dbraw/zinc/51/45/57/1076514557.db2.gz DZFDAVALCCSHCD-LBPRGKRZSA-N 1 1 384.462 -1.413 20 0 GAADMO O=S(=O)(c1ccc(N2CC[NH+](C[C@@H](O)CO)CC2)nc1)N1CCOCC1 ZINC001642207501 1076515756 /nfs/dbraw/zinc/51/57/56/1076515756.db2.gz SYTDMHIIBGNJTH-CQSZACIVSA-N 1 1 386.474 -1.422 20 0 GAADMO NC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C(N)=O ZINC001642412692 1076516317 /nfs/dbraw/zinc/51/63/17/1076516317.db2.gz NSRXPACGXDKTDA-HZSPNIEDSA-N 1 1 395.460 -2.255 20 0 GAADMO NC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C(N)=O ZINC001642412693 1076516266 /nfs/dbraw/zinc/51/62/66/1076516266.db2.gz NSRXPACGXDKTDA-MCIONIFRSA-N 1 1 395.460 -2.255 20 0 GAADMO NC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C(N)=O ZINC001642412694 1076516259 /nfs/dbraw/zinc/51/62/59/1076516259.db2.gz NSRXPACGXDKTDA-MGPQQGTHSA-N 1 1 395.460 -2.255 20 0 GAADMO NC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C(N)=O ZINC001642412695 1076516303 /nfs/dbraw/zinc/51/63/03/1076516303.db2.gz NSRXPACGXDKTDA-MJBXVCDLSA-N 1 1 395.460 -2.255 20 0 GAADMO C[N@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@H](CO)C1 ZINC001642502094 1076516645 /nfs/dbraw/zinc/51/66/45/1076516645.db2.gz UJXMFZGOWRISHO-JTQLQIEISA-N 1 1 384.414 -1.623 20 0 GAADMO 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ZINC001642784879 1076517140 /nfs/dbraw/zinc/51/71/40/1076517140.db2.gz VKLVOTIECCGSJB-OAHLLOKOSA-N 1 1 389.430 -1.619 20 0 GAADMO CCN1C(=O)CO[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)[C@H]1c1ccnn1C ZINC001642788029 1076517118 /nfs/dbraw/zinc/51/71/18/1076517118.db2.gz BUKRVGPZZGMZQM-HLLBOEOZSA-N 1 1 381.433 -1.824 20 0 GAADMO CCN1C(=O)CO[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)[C@H]1c1ccnn1C ZINC001642788030 1076517411 /nfs/dbraw/zinc/51/74/11/1076517411.db2.gz BUKRVGPZZGMZQM-VYDXJSESSA-N 1 1 381.433 -1.824 20 0 GAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001642805239 1076517372 /nfs/dbraw/zinc/51/73/72/1076517372.db2.gz PWQQAIOGOKPLBS-AAEUAGOBSA-N 1 1 386.474 -1.912 20 0 GAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001642805249 1076517401 /nfs/dbraw/zinc/51/74/01/1076517401.db2.gz PWQQAIOGOKPLBS-DGCLKSJQSA-N 1 1 386.474 -1.912 20 0 GAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001642805250 1076517361 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CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001658114136 1076548173 /nfs/dbraw/zinc/54/81/73/1076548173.db2.gz JFUIGQNHXQMZLR-UHFFFAOYSA-N 1 1 387.462 -1.799 20 0 GAADMO COC(=O)CC1([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)CCS(=O)(=O)CC1 ZINC001658332249 1076548115 /nfs/dbraw/zinc/54/81/15/1076548115.db2.gz KPFPEQRAEHFJJB-LLVKDONJSA-N 1 1 377.463 -1.321 20 0 GAADMO COC(=O)CC1([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)CCS(=O)(=O)CC1 ZINC001658332250 1076548066 /nfs/dbraw/zinc/54/80/66/1076548066.db2.gz KPFPEQRAEHFJJB-NSHDSACASA-N 1 1 377.463 -1.321 20 0 GAADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001659599539 1076548957 /nfs/dbraw/zinc/54/89/57/1076548957.db2.gz TYZCMRZSVGLFPI-UHFFFAOYSA-N 1 1 382.508 -2.039 20 0 GAADMO CN(CC(=O)NCc1ccc(OCC(N)=O)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC001659619777 1076548980 /nfs/dbraw/zinc/54/89/80/1076548980.db2.gz XTOOKBRXPGIUAU-UHFFFAOYSA-N 1 1 391.472 -1.127 20 0 GAADMO Cc1nn(CCS(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(=O)o1 ZINC001659833458 1076549376 /nfs/dbraw/zinc/54/93/76/1076549376.db2.gz ITWJXEUPPUXLFF-CYBMUJFWSA-N 1 1 387.462 -1.111 20 0 GAADMO Cc1nn(CCS(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(=O)o1 ZINC001659833458 1076549371 /nfs/dbraw/zinc/54/93/71/1076549371.db2.gz ITWJXEUPPUXLFF-CYBMUJFWSA-N 1 1 387.462 -1.111 20 0 GAADMO Cc1nn(CCS(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(=O)o1 ZINC001659833459 1076549302 /nfs/dbraw/zinc/54/93/02/1076549302.db2.gz ITWJXEUPPUXLFF-ZDUSSCGKSA-N 1 1 387.462 -1.111 20 0 GAADMO Cc1nn(CCS(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(=O)o1 ZINC001659833459 1076549294 /nfs/dbraw/zinc/54/92/94/1076549294.db2.gz ITWJXEUPPUXLFF-ZDUSSCGKSA-N 1 1 387.462 -1.111 20 0 GAADMO Cn1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(=O)[nH]c1=O ZINC001659833490 1076549362 /nfs/dbraw/zinc/54/93/62/1076549362.db2.gz JQWJJJDGNSEQTH-LLVKDONJSA-N 1 1 385.446 -1.411 20 0 GAADMO Cn1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(=O)[nH]c1=O ZINC001659833490 1076549358 /nfs/dbraw/zinc/54/93/58/1076549358.db2.gz JQWJJJDGNSEQTH-LLVKDONJSA-N 1 1 385.446 -1.411 20 0 GAADMO Cn1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(=O)[nH]c1=O ZINC001659833491 1076549444 /nfs/dbraw/zinc/54/94/44/1076549444.db2.gz JQWJJJDGNSEQTH-NSHDSACASA-N 1 1 385.446 -1.411 20 0 GAADMO Cn1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(=O)[nH]c1=O ZINC001659833491 1076549441 /nfs/dbraw/zinc/54/94/41/1076549441.db2.gz JQWJJJDGNSEQTH-NSHDSACASA-N 1 1 385.446 -1.411 20 0 GAADMO CONC(=O)C1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001660045923 1076549742 /nfs/dbraw/zinc/54/97/42/1076549742.db2.gz LJOVRMAPHGDKGP-UHFFFAOYSA-N 1 1 376.479 -1.084 20 0 GAADMO CS(=O)(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001660059446 1076549683 /nfs/dbraw/zinc/54/96/83/1076549683.db2.gz OSDILUYZJSNASW-GFCCVEGCSA-N 1 1 396.535 -1.602 20 0 GAADMO CS(=O)(=O)NC[C@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001660059446 1076549677 /nfs/dbraw/zinc/54/96/77/1076549677.db2.gz OSDILUYZJSNASW-GFCCVEGCSA-N 1 1 396.535 -1.602 20 0 GAADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001660059447 1076549817 /nfs/dbraw/zinc/54/98/17/1076549817.db2.gz OSDILUYZJSNASW-LBPRGKRZSA-N 1 1 396.535 -1.602 20 0 GAADMO CS(=O)(=O)NC[C@@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001660059447 1076549813 /nfs/dbraw/zinc/54/98/13/1076549813.db2.gz OSDILUYZJSNASW-LBPRGKRZSA-N 1 1 396.535 -1.602 20 0 GAADMO CNC(=O)CN1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC001660245736 1076549727 /nfs/dbraw/zinc/54/97/27/1076549727.db2.gz FLEBXJHWDPWTTR-UHFFFAOYSA-N 1 1 375.477 -1.121 20 0 GAADMO CNC(=O)CN1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC001660245736 1076549719 /nfs/dbraw/zinc/54/97/19/1076549719.db2.gz FLEBXJHWDPWTTR-UHFFFAOYSA-N 1 1 375.477 -1.121 20 0 GAADMO CN1CC[NH+](CCCCNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001660676575 1076550447 /nfs/dbraw/zinc/55/04/47/1076550447.db2.gz NQDJZQRPHIEWLK-UHFFFAOYSA-N 1 1 382.552 -1.175 20 0 GAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC001661266661 1076551602 /nfs/dbraw/zinc/55/16/02/1076551602.db2.gz KLLQLGVGTOTYRJ-CYBMUJFWSA-N 1 1 398.551 -1.260 20 0 GAADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC001661266661 1076551596 /nfs/dbraw/zinc/55/15/96/1076551596.db2.gz KLLQLGVGTOTYRJ-CYBMUJFWSA-N 1 1 398.551 -1.260 20 0 GAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC001661266666 1076551623 /nfs/dbraw/zinc/55/16/23/1076551623.db2.gz KLLQLGVGTOTYRJ-ZDUSSCGKSA-N 1 1 398.551 -1.260 20 0 GAADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC001661266666 1076551620 /nfs/dbraw/zinc/55/16/20/1076551620.db2.gz KLLQLGVGTOTYRJ-ZDUSSCGKSA-N 1 1 398.551 -1.260 20 0 GAADMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001661677158 1076552407 /nfs/dbraw/zinc/55/24/07/1076552407.db2.gz GKLZVZRGZMAJEU-UHFFFAOYSA-N 1 1 383.536 -1.014 20 0 GAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001662515027 1076554263 /nfs/dbraw/zinc/55/42/63/1076554263.db2.gz KYQXARJJXXKHDV-UHFFFAOYSA-N 1 1 399.535 -1.633 20 0 GAADMO Cn1c(C[N@@H+](C)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc(=O)n(C)c1=O ZINC001663239864 1076555539 /nfs/dbraw/zinc/55/55/39/1076555539.db2.gz SIJAXWPNOAUNIS-DUVNUKRYSA-N 1 1 380.445 -1.317 20 0 GAADMO Cn1c(C[N@H+](C)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc(=O)n(C)c1=O ZINC001663239864 1076555533 /nfs/dbraw/zinc/55/55/33/1076555533.db2.gz SIJAXWPNOAUNIS-DUVNUKRYSA-N 1 1 380.445 -1.317 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)N2CCN(C)CC2)CC1=O ZINC001663687160 1076556460 /nfs/dbraw/zinc/55/64/60/1076556460.db2.gz FAZPSPHDDSZIJD-AWEZNQCLSA-N 1 1 377.511 -1.753 20 0 GAADMO COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)N2CCN(C)CC2)CC1=O ZINC001663687161 1076556408 /nfs/dbraw/zinc/55/64/08/1076556408.db2.gz FAZPSPHDDSZIJD-CQSZACIVSA-N 1 1 377.511 -1.753 20 0 GAADMO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001664208187 1076558490 /nfs/dbraw/zinc/55/84/90/1076558490.db2.gz HIQWELKCJQMWHZ-UHFFFAOYSA-N 1 1 390.487 -1.353 20 0 GAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001664208477 1076558530 /nfs/dbraw/zinc/55/85/30/1076558530.db2.gz KCJZRONJLUOYAC-GFCCVEGCSA-N 1 1 382.508 -2.039 20 0 GAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001664208478 1076558506 /nfs/dbraw/zinc/55/85/06/1076558506.db2.gz KCJZRONJLUOYAC-LBPRGKRZSA-N 1 1 382.508 -2.039 20 0 GAADMO C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@@H]1C[N@@H+](C)CCN1C ZINC001664356952 1076559176 /nfs/dbraw/zinc/55/91/76/1076559176.db2.gz ORHSOVOMZFCYEH-GWCFXTLKSA-N 1 1 396.473 -1.053 20 0 GAADMO C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@@H]1C[N@H+](C)CCN1C ZINC001664356952 1076559172 /nfs/dbraw/zinc/55/91/72/1076559172.db2.gz ORHSOVOMZFCYEH-GWCFXTLKSA-N 1 1 396.473 -1.053 20 0 GAADMO C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@H]1C[N@@H+](C)CCN1C ZINC001664356953 1076559218 /nfs/dbraw/zinc/55/92/18/1076559218.db2.gz ORHSOVOMZFCYEH-GXFFZTMASA-N 1 1 396.473 -1.053 20 0 GAADMO C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@H]1C[N@H+](C)CCN1C ZINC001664356953 1076559214 /nfs/dbraw/zinc/55/92/14/1076559214.db2.gz ORHSOVOMZFCYEH-GXFFZTMASA-N 1 1 396.473 -1.053 20 0 GAADMO C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@@H]1C[N@@H+](C)CCN1C ZINC001664356954 1076559192 /nfs/dbraw/zinc/55/91/92/1076559192.db2.gz ORHSOVOMZFCYEH-MFKMUULPSA-N 1 1 396.473 -1.053 20 0 GAADMO C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@@H]1C[N@H+](C)CCN1C ZINC001664356954 1076559188 /nfs/dbraw/zinc/55/91/88/1076559188.db2.gz ORHSOVOMZFCYEH-MFKMUULPSA-N 1 1 396.473 -1.053 20 0 GAADMO C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@H]1C[N@@H+](C)CCN1C ZINC001664356955 1076559085 /nfs/dbraw/zinc/55/90/85/1076559085.db2.gz ORHSOVOMZFCYEH-ZWNOBZJWSA-N 1 1 396.473 -1.053 20 0 GAADMO C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@H]1C[N@H+](C)CCN1C ZINC001664356955 1076559080 /nfs/dbraw/zinc/55/90/80/1076559080.db2.gz ORHSOVOMZFCYEH-ZWNOBZJWSA-N 1 1 396.473 -1.053 20 0 GAADMO Cn1cc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(=O)[nH]c1=O ZINC001665207567 1076561749 /nfs/dbraw/zinc/56/17/49/1076561749.db2.gz LTOHKJFCEWZKPQ-UHFFFAOYSA-N 1 1 399.473 -1.020 20 0 GAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001665351849 1076562057 /nfs/dbraw/zinc/56/20/57/1076562057.db2.gz IPSQAJMKDCJZMO-UHFFFAOYSA-N 1 1 397.523 -2.486 20 0 GAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001665520768 1076561990 /nfs/dbraw/zinc/56/19/90/1076561990.db2.gz FHLQZFYFEQFVBT-UHFFFAOYSA-N 1 1 383.496 -2.828 20 0 GAADMO Cn1nnnc1-c1cccc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC001665521252 1076562101 /nfs/dbraw/zinc/56/21/01/1076562101.db2.gz QISAPEYLWBKJIB-UHFFFAOYSA-N 1 1 379.446 -1.071 20 0 GAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC001665604341 1076562582 /nfs/dbraw/zinc/56/25/82/1076562582.db2.gz KGDGXMFCJDHLMG-KRWDZBQOSA-N 1 1 383.449 -1.923 20 0 GAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@]23COCCN2C(=O)COC3)CC1 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