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/nfs/dbraw/zinc/04/26/87/1068042687.db2.gz WFQZVVOSMNNBBH-DAPGRXQESA-N 1 3 429.518 -1.120 20 0 IAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001144336543 1068042877 /nfs/dbraw/zinc/04/28/77/1068042877.db2.gz WFQZVVOSMNNBBH-DYCUAQQMSA-N 1 3 429.518 -1.120 20 0 IAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001144336544 1068042904 /nfs/dbraw/zinc/04/29/04/1068042904.db2.gz WFQZVVOSMNNBBH-QLLXLZQLSA-N 1 3 429.518 -1.120 20 0 IAADHO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157303447 1068331832 /nfs/dbraw/zinc/33/18/32/1068331832.db2.gz HYLOUWFFLRMHKZ-BZSNNMDCSA-N 1 3 446.552 -1.237 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C[C@H]1C[NH2+]CCO1)C(=O)CF ZINC001157720491 1068333588 /nfs/dbraw/zinc/33/35/88/1068333588.db2.gz KIKDLMODVULORZ-LOUJCGABSA-N 1 3 431.509 -1.665 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C[C@@H]1C[NH2+]CCO1)C(=O)CF ZINC001157720492 1068333784 /nfs/dbraw/zinc/33/37/84/1068333784.db2.gz KIKDLMODVULORZ-WSMBLCCSSA-N 1 3 431.509 -1.665 20 0 IAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102695 1068334975 /nfs/dbraw/zinc/33/49/75/1068334975.db2.gz VVVPYIOQXPNGQT-OSAWLIQMSA-N 1 3 436.557 -1.454 20 0 IAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102696 1068335058 /nfs/dbraw/zinc/33/50/58/1068335058.db2.gz VVVPYIOQXPNGQT-VCAMNPENSA-N 1 3 436.557 -1.454 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)CF ZINC001158180071 1068335817 /nfs/dbraw/zinc/33/58/17/1068335817.db2.gz SLZGAVWFRFGFID-JGTMWYTQSA-N 1 3 443.520 -1.665 20 0 IAADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001158379918 1068336185 /nfs/dbraw/zinc/33/61/85/1068336185.db2.gz GIZVWQNWJDBMIK-KTCLOZQLSA-N 1 3 437.419 -1.763 20 0 IAADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001158379919 1068336511 /nfs/dbraw/zinc/33/65/11/1068336511.db2.gz GIZVWQNWJDBMIK-NXPNQGMMSA-N 1 3 437.419 -1.763 20 0 IAADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001158379920 1068337033 /nfs/dbraw/zinc/33/70/33/1068337033.db2.gz GIZVWQNWJDBMIK-VCXDHIOWSA-N 1 3 437.419 -1.763 20 0 IAADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001158379921 1068336874 /nfs/dbraw/zinc/33/68/74/1068336874.db2.gz GIZVWQNWJDBMIK-VUKUWZNJSA-N 1 3 437.419 -1.763 20 0 IAADHO CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2)CC1 ZINC001158513015 1068337316 /nfs/dbraw/zinc/33/73/16/1068337316.db2.gz GFAOYLMIKMAXRF-BBRMVZONSA-N 1 3 425.530 -1.040 20 0 IAADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734518 1068339483 /nfs/dbraw/zinc/33/94/83/1068339483.db2.gz BDQMORSXQNFHLY-LBPRGKRZSA-N 1 3 431.515 -1.133 20 0 IAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821269 1068340270 /nfs/dbraw/zinc/34/02/70/1068340270.db2.gz GJOCLSPBOLKCDK-IRXDYDNUSA-N 1 3 448.572 -1.100 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159167198 1068346129 /nfs/dbraw/zinc/34/61/29/1068346129.db2.gz WITYKVYDICCPHM-ITWBUVANSA-N 1 3 446.556 -1.313 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159167198 1068346114 /nfs/dbraw/zinc/34/61/14/1068346114.db2.gz WITYKVYDICCPHM-ITWBUVANSA-N 1 3 446.556 -1.313 20 0 IAADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CC24CNC4)CC3)C1=O ZINC001159180294 1068345897 /nfs/dbraw/zinc/34/58/97/1068345897.db2.gz CIZXVOXLDAQZIE-FOIQADDNSA-N 1 3 439.582 -1.472 20 0 IAADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CC24CNC4)CC3)C1=O ZINC001159180297 1068345747 /nfs/dbraw/zinc/34/57/47/1068345747.db2.gz CIZXVOXLDAQZIE-MGPUTAFESA-N 1 3 439.582 -1.472 20 0 IAADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CC24CNC4)CC3)C1=O ZINC001159180300 1068345919 /nfs/dbraw/zinc/34/59/19/1068345919.db2.gz CIZXVOXLDAQZIE-QRWLVFNGSA-N 1 3 439.582 -1.472 20 0 IAADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CC24CNC4)CC3)C1=O ZINC001159180303 1068345764 /nfs/dbraw/zinc/34/57/64/1068345764.db2.gz CIZXVOXLDAQZIE-YWZLYKJASA-N 1 3 439.582 -1.472 20 0 IAADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159190882 1068348000 /nfs/dbraw/zinc/34/80/00/1068348000.db2.gz NBBNOLURLZUPST-CYBMUJFWSA-N 1 3 425.511 -1.373 20 0 IAADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159190883 1068348289 /nfs/dbraw/zinc/34/82/89/1068348289.db2.gz NBBNOLURLZUPST-ZDUSSCGKSA-N 1 3 425.511 -1.373 20 0 IAADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CSCC[NH3+])CC3)C1=O ZINC001159190948 1068348170 /nfs/dbraw/zinc/34/81/70/1068348170.db2.gz OLHKEMCZKGYSQT-KBXCAEBGSA-N 1 3 447.627 -1.262 20 0 IAADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CSCC[NH3+])CC3)C1=O ZINC001159190949 1068347774 /nfs/dbraw/zinc/34/77/74/1068347774.db2.gz OLHKEMCZKGYSQT-KSSFIOAISA-N 1 3 447.627 -1.262 20 0 IAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)C(N)=O ZINC001159192267 1068348963 /nfs/dbraw/zinc/34/89/63/1068348963.db2.gz PIZLLMDMFVLUHT-WCQYABFASA-N 1 3 437.501 -2.052 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159234450 1068349805 /nfs/dbraw/zinc/34/98/05/1068349805.db2.gz JVEHGFIWLSUKQJ-ZFWWWQNUSA-N 1 3 428.497 -1.336 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394711 1068351069 /nfs/dbraw/zinc/35/10/69/1068351069.db2.gz PSGUYRRQULNXDC-LWWSYDQCSA-N 1 3 436.538 -1.330 20 0 IAADHO O=C([C@H]1COC2(CNC2)CN1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395267 1068351009 /nfs/dbraw/zinc/35/10/09/1068351009.db2.gz WCPHGLJTTKJGBC-ARFHVFGLSA-N 1 3 448.549 -1.852 20 0 IAADHO O=C([C@@H]1COC2(CNC2)CN1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395268 1068350827 /nfs/dbraw/zinc/35/08/27/1068350827.db2.gz WCPHGLJTTKJGBC-HRCADAONSA-N 1 3 448.549 -1.852 20 0 IAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)C(N)=O ZINC001159403993 1068351572 /nfs/dbraw/zinc/35/15/72/1068351572.db2.gz UAXDEJPBUONQRY-RFBLXINOSA-N 1 3 433.513 -1.468 20 0 IAADHO N[C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001159457108 1068352958 /nfs/dbraw/zinc/35/29/58/1068352958.db2.gz FELWZEYQIHNUQH-HZMVEIRTSA-N 1 3 428.555 -1.566 20 0 IAADHO N[C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001159457109 1068353246 /nfs/dbraw/zinc/35/32/46/1068353246.db2.gz FELWZEYQIHNUQH-QBPKDAKJSA-N 1 3 428.555 -1.566 20 0 IAADHO N[C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001159457110 1068353234 /nfs/dbraw/zinc/35/32/34/1068353234.db2.gz FELWZEYQIHNUQH-VQHPVUNQSA-N 1 3 428.555 -1.566 20 0 IAADHO N[C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001159457111 1068352991 /nfs/dbraw/zinc/35/29/91/1068352991.db2.gz FELWZEYQIHNUQH-YLFCFFPRSA-N 1 3 428.555 -1.566 20 0 IAADHO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]21)N1CCOCC1 ZINC001159459332 1068356064 /nfs/dbraw/zinc/35/60/64/1068356064.db2.gz YIIZRXLINFIXKG-FLXNRXMOSA-N 1 3 440.566 -1.694 20 0 IAADHO O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]21)N1CCOCC1 ZINC001159459333 1068356868 /nfs/dbraw/zinc/35/68/68/1068356868.db2.gz YIIZRXLINFIXKG-QRXRQMIZSA-N 1 3 440.566 -1.694 20 0 IAADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CCC2 ZINC001159491851 1068357003 /nfs/dbraw/zinc/35/70/03/1068357003.db2.gz FLJRBZAUKVHGBD-ZFWWWQNUSA-N 1 3 435.529 -1.477 20 0 IAADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CCC2 ZINC001159491851 1068356992 /nfs/dbraw/zinc/35/69/92/1068356992.db2.gz FLJRBZAUKVHGBD-ZFWWWQNUSA-N 1 3 435.529 -1.477 20 0 IAADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CCC2 ZINC001159493815 1068357465 /nfs/dbraw/zinc/35/74/65/1068357465.db2.gz RBGDFLUODMLEKY-GOEBONIOSA-N 1 3 449.556 -1.087 20 0 IAADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CCC2 ZINC001159493815 1068357449 /nfs/dbraw/zinc/35/74/49/1068357449.db2.gz RBGDFLUODMLEKY-GOEBONIOSA-N 1 3 449.556 -1.087 20 0 IAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595787 1068359818 /nfs/dbraw/zinc/35/98/18/1068359818.db2.gz USSFIDYAUNEZNQ-WWNBULGVSA-N 1 3 433.534 -1.226 20 0 IAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595788 1068359648 /nfs/dbraw/zinc/35/96/48/1068359648.db2.gz USSFIDYAUNEZNQ-YLAKUSLOSA-N 1 3 433.534 -1.226 20 0 IAADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599429 1068359793 /nfs/dbraw/zinc/35/97/93/1068359793.db2.gz MGWLPNFJCUGURR-CVYDXHPNSA-N 1 3 441.579 -1.015 20 0 IAADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159607506 1068360005 /nfs/dbraw/zinc/36/00/05/1068360005.db2.gz AMIDWLPTIQNOBV-INIZCTEOSA-N 1 3 441.598 -1.540 20 0 IAADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159607512 1068359946 /nfs/dbraw/zinc/35/99/46/1068359946.db2.gz AMIDWLPTIQNOBV-MRXNPFEDSA-N 1 3 441.598 -1.540 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159611319 1068360708 /nfs/dbraw/zinc/36/07/08/1068360708.db2.gz YMFOWUCBNLBVOZ-GJZGRUSLSA-N 1 3 439.561 -2.609 20 0 IAADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)O2)CC1 ZINC001159758686 1068363689 /nfs/dbraw/zinc/36/36/89/1068363689.db2.gz QGHIEHYJROWEHH-IEBWSBKVSA-N 1 3 431.603 -1.006 20 0 IAADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001159929702 1068364847 /nfs/dbraw/zinc/36/48/47/1068364847.db2.gz JOPBUMVOXOHQCQ-LWYYNNOASA-N 1 3 433.553 -1.024 20 0 IAADHO Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059018 1068365566 /nfs/dbraw/zinc/36/55/66/1068365566.db2.gz OEDGGMOIAJZXCJ-KZDUYQQSSA-N 1 3 433.513 -1.263 20 0 IAADHO Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059019 1068365223 /nfs/dbraw/zinc/36/52/23/1068365223.db2.gz OEDGGMOIAJZXCJ-LDNFRZNASA-N 1 3 433.513 -1.263 20 0 IAADHO Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059020 1068365497 /nfs/dbraw/zinc/36/54/97/1068365497.db2.gz OEDGGMOIAJZXCJ-VPCSNGCSSA-N 1 3 433.513 -1.263 20 0 IAADHO Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059022 1068365358 /nfs/dbraw/zinc/36/53/58/1068365358.db2.gz OEDGGMOIAJZXCJ-YYQBIWNASA-N 1 3 433.513 -1.263 20 0 IAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1)C(N)=O ZINC001160371915 1068371188 /nfs/dbraw/zinc/37/11/88/1068371188.db2.gz NPSRNIYTRVJCKY-LSDHHAIUSA-N 1 3 437.545 -1.209 20 0 IAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1)C(N)=O ZINC001160407685 1068372737 /nfs/dbraw/zinc/37/27/37/1068372737.db2.gz AXQHGNWKMGHZBI-UONOGXRCSA-N 1 3 443.512 -1.203 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408132 1068372838 /nfs/dbraw/zinc/37/28/38/1068372838.db2.gz ITTRUMDDJJIWBZ-STQMWFEESA-N 1 3 429.485 -1.593 20 0 IAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(=O)NCC(N)=O ZINC001160626799 1068375082 /nfs/dbraw/zinc/37/50/82/1068375082.db2.gz BFBIYXLFKARXHJ-FAPUVCABSA-N 1 3 436.557 -1.691 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C(=O)CF ZINC001160703271 1068377636 /nfs/dbraw/zinc/37/76/36/1068377636.db2.gz AOMOTRGTAUJORC-GLRLOKQVSA-N 1 3 427.521 -1.092 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C(=O)CF ZINC001160703271 1068377617 /nfs/dbraw/zinc/37/76/17/1068377617.db2.gz AOMOTRGTAUJORC-GLRLOKQVSA-N 1 3 427.521 -1.092 20 0 IAADHO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3COC4(CNC4)CN3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118893 1068381595 /nfs/dbraw/zinc/38/15/95/1068381595.db2.gz IIZBFJCQFHHIJV-HRCADAONSA-N 1 3 442.511 -1.941 20 0 IAADHO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118894 1068381457 /nfs/dbraw/zinc/38/14/57/1068381457.db2.gz IIZBFJCQFHHIJV-JYJNAYRXSA-N 1 3 442.511 -1.941 20 0 IAADHO NC(=O)NCCC[C@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118937 1068381904 /nfs/dbraw/zinc/38/19/04/1068381904.db2.gz JVAKSLVTPRDORA-KKUMJFAQSA-N 1 3 445.515 -1.496 20 0 IAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118938 1068381511 /nfs/dbraw/zinc/38/15/11/1068381511.db2.gz JVAKSLVTPRDORA-ZNMIVQPWSA-N 1 3 445.515 -1.496 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123005 1068383178 /nfs/dbraw/zinc/38/31/78/1068383178.db2.gz NVQLTIGTFNHZEF-AJNGGQMLSA-N 1 3 430.500 -1.419 20 0 IAADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123156 1068382710 /nfs/dbraw/zinc/38/27/10/1068382710.db2.gz PLIIZHGVANCFFE-LMAOXAQZSA-N 1 3 435.541 -1.175 20 0 IAADHO C[S@](=O)CC[C@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123163 1068382734 /nfs/dbraw/zinc/38/27/34/1068382734.db2.gz PLIIZHGVANCFFE-RQUCRVAKSA-N 1 3 435.541 -1.175 20 0 IAADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)c2nonc21 ZINC001161154382 1068383669 /nfs/dbraw/zinc/38/36/69/1068383669.db2.gz YWPMKPOZFPIDBX-CYBMUJFWSA-N 1 3 449.537 -1.069 20 0 IAADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)c2nonc21 ZINC001161154384 1068383985 /nfs/dbraw/zinc/38/39/85/1068383985.db2.gz YWPMKPOZFPIDBX-ZDUSSCGKSA-N 1 3 449.537 -1.069 20 0 IAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1)C(N)=O ZINC001161197856 1068384475 /nfs/dbraw/zinc/38/44/75/1068384475.db2.gz HFPQCJBPUMWTCL-FUHWJXTLSA-N 1 3 440.589 -1.366 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198791 1068384771 /nfs/dbraw/zinc/38/47/71/1068384771.db2.gz YIGOHXRWMBAASY-RDJZCZTQSA-N 1 3 426.562 -1.756 20 0 IAADHO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448511 1068385876 /nfs/dbraw/zinc/38/58/76/1068385876.db2.gz DLVSTZNJNTYBJS-JKQORVJESA-N 1 3 426.562 -1.337 20 0 IAADHO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448512 1068385976 /nfs/dbraw/zinc/38/59/76/1068385976.db2.gz DLVSTZNJNTYBJS-QBYUYEEZSA-N 1 3 426.562 -1.337 20 0 IAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508216 1068387147 /nfs/dbraw/zinc/38/71/47/1068387147.db2.gz CDEYAPNECSHXIK-LNLFQRSKSA-N 1 3 431.537 -1.001 20 0 IAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508217 1068387363 /nfs/dbraw/zinc/38/73/63/1068387363.db2.gz CDEYAPNECSHXIK-SCTDSRPQSA-N 1 3 431.537 -1.001 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]([NH3+])C2(COC2)C1)C(=O)CF ZINC001161508336 1068387457 /nfs/dbraw/zinc/38/74/57/1068387457.db2.gz DKAMQHZGSWPLAN-DUPGQFARSA-N 1 3 429.493 -1.926 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C(=O)CF ZINC001161508339 1068387231 /nfs/dbraw/zinc/38/72/31/1068387231.db2.gz DKAMQHZGSWPLAN-GMZLATJGSA-N 1 3 429.493 -1.926 20 0 IAADHO CN1CCN(c2ccc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)nn2)CC1 ZINC001162842499 1068392768 /nfs/dbraw/zinc/39/27/68/1068392768.db2.gz OITSLEWFCZTTAZ-HOTGVXAUSA-N 1 3 427.513 -1.240 20 0 IAADHO CN1CCN(c2nccc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)n2)CC1 ZINC001162845724 1068393412 /nfs/dbraw/zinc/39/34/12/1068393412.db2.gz OWUFWBGTBHVVTB-HOTGVXAUSA-N 1 3 427.513 -1.240 20 0 IAADHO Cc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1F ZINC001163437997 1068393543 /nfs/dbraw/zinc/39/35/43/1068393543.db2.gz BKSIPNZDUVDGSJ-GJZGRUSLSA-N 1 3 448.503 -1.200 20 0 IAADHO Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)cc1C ZINC001163438067 1068393762 /nfs/dbraw/zinc/39/37/62/1068393762.db2.gz CTVFRRXBEXPYSY-IRXDYDNUSA-N 1 3 444.540 -1.031 20 0 IAADHO Cc1nnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1C ZINC001163438293 1068393665 /nfs/dbraw/zinc/39/36/65/1068393665.db2.gz FXSBQLVDNRRVPW-GJZGRUSLSA-N 1 3 446.516 -2.241 20 0 IAADHO CCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163438296 1068393476 /nfs/dbraw/zinc/39/34/76/1068393476.db2.gz FZYIMCKCVMVDTL-HOTGVXAUSA-N 1 3 445.528 -1.690 20 0 IAADHO Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1F ZINC001163438419 1068393435 /nfs/dbraw/zinc/39/34/35/1068393435.db2.gz BOTOVZJUFWYRKI-HOTGVXAUSA-N 1 3 448.503 -1.200 20 0 IAADHO CCc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438450 1068393731 /nfs/dbraw/zinc/39/37/31/1068393731.db2.gz BWCFIMXAHJIAEM-HOTGVXAUSA-N 1 3 445.528 -1.690 20 0 IAADHO Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(F)c1 ZINC001163438473 1068393629 /nfs/dbraw/zinc/39/36/29/1068393629.db2.gz CGLBNXFAPPESAL-HOTGVXAUSA-N 1 3 448.503 -1.200 20 0 IAADHO Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)cn1 ZINC001163438504 1068393457 /nfs/dbraw/zinc/39/34/57/1068393457.db2.gz CPYZXGWURNAVGA-GJZGRUSLSA-N 1 3 431.501 -1.944 20 0 IAADHO COc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163438540 1068394224 /nfs/dbraw/zinc/39/42/24/1068394224.db2.gz DPURORRMDYHLQR-KBPBESRZSA-N 1 3 447.500 -2.244 20 0 IAADHO COc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438733 1068394256 /nfs/dbraw/zinc/39/42/56/1068394256.db2.gz GBSUYFNCXPQVJK-KBPBESRZSA-N 1 3 447.500 -2.244 20 0 IAADHO CCc1nccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438754 1068394442 /nfs/dbraw/zinc/39/44/42/1068394442.db2.gz LWKKLDXEZLMKSB-GJZGRUSLSA-N 1 3 445.528 -1.690 20 0 IAADHO Cc1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438884 1068394192 /nfs/dbraw/zinc/39/41/92/1068394192.db2.gz HUMLWISDUZMJOC-IRXDYDNUSA-N 1 3 444.540 -1.031 20 0 IAADHO C=Cc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438886 1068394744 /nfs/dbraw/zinc/39/47/44/1068394744.db2.gz OEFMXRFIMVLBIG-IRXDYDNUSA-N 1 3 442.524 -1.005 20 0 IAADHO Cc1cc(F)cnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438901 1068394669 /nfs/dbraw/zinc/39/46/69/1068394669.db2.gz IAJRKFTTZNIAIS-HOTGVXAUSA-N 1 3 448.503 -1.200 20 0 IAADHO Cc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438940 1068394636 /nfs/dbraw/zinc/39/46/36/1068394636.db2.gz JLJOBXHZQYOUAF-GJZGRUSLSA-N 1 3 431.501 -1.944 20 0 IAADHO COc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438954 1068394576 /nfs/dbraw/zinc/39/45/76/1068394576.db2.gz KOOXBDLVIFMLFU-KBPBESRZSA-N 1 3 447.500 -2.244 20 0 IAADHO Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ccc1F ZINC001163438962 1068394779 /nfs/dbraw/zinc/39/47/79/1068394779.db2.gz KUNHNOBXZBWRKV-HOTGVXAUSA-N 1 3 448.503 -1.200 20 0 IAADHO COc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439204 1068394297 /nfs/dbraw/zinc/39/42/97/1068394297.db2.gz LSDWVJBENJULFC-KBPBESRZSA-N 1 3 447.500 -2.244 20 0 IAADHO Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1F ZINC001163439207 1068394544 /nfs/dbraw/zinc/39/45/44/1068394544.db2.gz LUZTYSSHZQHRKO-GJZGRUSLSA-N 1 3 449.491 -1.805 20 0 IAADHO Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(C)c1 ZINC001163439300 1068394480 /nfs/dbraw/zinc/39/44/80/1068394480.db2.gz RJHUFDSSJHOPNP-IRXDYDNUSA-N 1 3 444.540 -1.031 20 0 IAADHO Cc1ccc(F)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439307 1068394332 /nfs/dbraw/zinc/39/43/32/1068394332.db2.gz MYHZCMPYNXIWLV-HOTGVXAUSA-N 1 3 448.503 -1.200 20 0 IAADHO Cc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1C ZINC001163439322 1068394156 /nfs/dbraw/zinc/39/41/56/1068394156.db2.gz NFRRYZVBZGLTHX-IRXDYDNUSA-N 1 3 444.540 -1.031 20 0 IAADHO CCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439369 1068394371 /nfs/dbraw/zinc/39/43/71/1068394371.db2.gz SMKKXGYLHODZCT-HOTGVXAUSA-N 1 3 445.528 -1.690 20 0 IAADHO COc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439377 1068394510 /nfs/dbraw/zinc/39/45/10/1068394510.db2.gz NUXJBQCENCCGIB-GJZGRUSLSA-N 1 3 446.512 -1.639 20 0 IAADHO COc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439422 1068394604 /nfs/dbraw/zinc/39/46/04/1068394604.db2.gz OKKGZIXMBWHWMI-KBPBESRZSA-N 1 3 447.500 -2.244 20 0 IAADHO Cc1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439461 1068394123 /nfs/dbraw/zinc/39/41/23/1068394123.db2.gz PIHVOMAALBISOC-HOTGVXAUSA-N 1 3 445.528 -1.636 20 0 IAADHO Cc1ncc(F)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439463 1068395049 /nfs/dbraw/zinc/39/50/49/1068395049.db2.gz PKBCAJXFCZHKOM-GJZGRUSLSA-N 1 3 449.491 -1.805 20 0 IAADHO Cc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439471 1068395390 /nfs/dbraw/zinc/39/53/90/1068395390.db2.gz PPIFONZPAQLZBZ-HOTGVXAUSA-N 1 3 430.513 -1.339 20 0 IAADHO Cc1cnnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439472 1068395201 /nfs/dbraw/zinc/39/52/01/1068395201.db2.gz PQAQLXMGVVGBAR-GJZGRUSLSA-N 1 3 431.501 -1.944 20 0 IAADHO COc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439681 1068395236 /nfs/dbraw/zinc/39/52/36/1068395236.db2.gz RFUBXQXWADRTJS-HOTGVXAUSA-N 1 3 446.512 -1.639 20 0 IAADHO Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(C)n1 ZINC001163439729 1068395269 /nfs/dbraw/zinc/39/52/69/1068395269.db2.gz RWPUYIFMGCWYPC-HOTGVXAUSA-N 1 3 445.528 -1.636 20 0 IAADHO COc1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439778 1068395426 /nfs/dbraw/zinc/39/54/26/1068395426.db2.gz UMRAVJONLXDCDT-GJZGRUSLSA-N 1 3 446.512 -1.639 20 0 IAADHO Cc1ncc(C)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439794 1068394914 /nfs/dbraw/zinc/39/49/14/1068394914.db2.gz VGAKBLYSRWLCGG-HOTGVXAUSA-N 1 3 445.528 -1.636 20 0 IAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncccc2F)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439821 1068395366 /nfs/dbraw/zinc/39/53/66/1068395366.db2.gz WGLYFOUVJOYBPP-GJZGRUSLSA-N 1 3 434.476 -1.509 20 0 IAADHO CCc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439823 1068394947 /nfs/dbraw/zinc/39/49/47/1068394947.db2.gz WHOPTGWZDDLVEX-HOCLYGCPSA-N 1 3 445.528 -1.690 20 0 IAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(F)ccn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439828 1068395163 /nfs/dbraw/zinc/39/51/63/1068395163.db2.gz WKMKJWJPJKNYOX-GJZGRUSLSA-N 1 3 434.476 -1.509 20 0 IAADHO Cc1ccnnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439841 1068395127 /nfs/dbraw/zinc/39/51/27/1068395127.db2.gz XGNUHYWJEIGQRX-GJZGRUSLSA-N 1 3 431.501 -1.944 20 0 IAADHO COc1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439842 1068395304 /nfs/dbraw/zinc/39/53/04/1068395304.db2.gz XHRWJSPZKZTCDN-KBPBESRZSA-N 1 3 447.500 -2.244 20 0 IAADHO C[C@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001168105693 1067785844 /nfs/dbraw/zinc/78/58/44/1067785844.db2.gz ORBJOTIYNWKEBY-HJWJTTGWSA-N 1 3 437.545 -1.292 20 0 IAADHO C[C@@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001168105698 1067785959 /nfs/dbraw/zinc/78/59/59/1067785959.db2.gz ORBJOTIYNWKEBY-IWCQGFGOSA-N 1 3 437.545 -1.292 20 0 IAADHO C[C@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001168105703 1067785800 /nfs/dbraw/zinc/78/58/00/1067785800.db2.gz ORBJOTIYNWKEBY-ORQFMDKSSA-N 1 3 437.545 -1.292 20 0 IAADHO C[C@@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001168105706 1067785945 /nfs/dbraw/zinc/78/59/45/1067785945.db2.gz ORBJOTIYNWKEBY-SIXLDLHFSA-N 1 3 437.545 -1.292 20 0 IAADHO Cn1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2N)c(=O)n(C)c1=O ZINC001170389846 1068022562 /nfs/dbraw/zinc/02/25/62/1068022562.db2.gz FNZOJHXHACCMKV-BPTYRPCHSA-N 1 3 428.534 -1.248 20 0 IAADHO Cn1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2N)c(=O)n(C)c1=O ZINC001170389847 1068022780 /nfs/dbraw/zinc/02/27/80/1068022780.db2.gz FNZOJHXHACCMKV-KJZONOTRSA-N 1 3 428.534 -1.248 20 0 IAADHO Cn1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2N)c(=O)n(C)c1=O ZINC001170389848 1068022542 /nfs/dbraw/zinc/02/25/42/1068022542.db2.gz FNZOJHXHACCMKV-SGUJONROSA-N 1 3 428.534 -1.248 20 0 IAADHO Cn1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2N)c(=O)n(C)c1=O ZINC001170389849 1068022628 /nfs/dbraw/zinc/02/26/28/1068022628.db2.gz FNZOJHXHACCMKV-ZBGLQNJCSA-N 1 3 428.534 -1.248 20 0 IAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCCOCC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001170804863 1068038077 /nfs/dbraw/zinc/03/80/77/1068038077.db2.gz QHVORARIYLMMJC-IKGGRYGDSA-N 1 3 437.545 -1.290 20 0 IAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCCOCC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001170804864 1068037999 /nfs/dbraw/zinc/03/79/99/1068037999.db2.gz QHVORARIYLMMJC-ULQDDVLXSA-N 1 3 437.545 -1.290 20 0 IAADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2C[C@H]3CC[C@@H](C2)O3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172225275 1068061729 /nfs/dbraw/zinc/06/17/29/1068061729.db2.gz GYFPDGINMXCTHO-KKGYMGPXSA-N 1 3 449.556 -1.149 20 0 IAADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2C[C@@H]3C=C[C@H](C2)O3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172238923 1068061778 /nfs/dbraw/zinc/06/17/78/1068061778.db2.gz XRIZQWDJODFMQB-KKGYMGPXSA-N 1 3 447.540 -1.373 20 0 IAADHO CC1(C)C[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001172279196 1068062274 /nfs/dbraw/zinc/06/22/74/1068062274.db2.gz GHZLNFADBFNDBG-JYJNAYRXSA-N 1 3 437.545 -1.292 20 0 IAADHO CC1(C)C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001172279205 1068062379 /nfs/dbraw/zinc/06/23/79/1068062379.db2.gz GHZLNFADBFNDBG-PMPSAXMXSA-N 1 3 437.545 -1.292 20 0 IAADHO CCOCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172421903 1068062317 /nfs/dbraw/zinc/06/23/17/1068062317.db2.gz BTEBRJUNWBCNIG-PVAVHDDUSA-N 1 3 439.561 -1.044 20 0 IAADHO CCOCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172421906 1068062415 /nfs/dbraw/zinc/06/24/15/1068062415.db2.gz BTEBRJUNWBCNIG-XIRDDKMYSA-N 1 3 439.561 -1.044 20 0 IAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001180385912 1068074360 /nfs/dbraw/zinc/07/43/60/1068074360.db2.gz AUGXPLVRIFBTIR-DRNBVBJMSA-N 1 3 429.518 -1.166 20 0 IAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001180385916 1068074334 /nfs/dbraw/zinc/07/43/34/1068074334.db2.gz AUGXPLVRIFBTIR-HBRUNIRZSA-N 1 3 429.518 -1.166 20 0 IAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001180385918 1068074385 /nfs/dbraw/zinc/07/43/85/1068074385.db2.gz AUGXPLVRIFBTIR-LIHYCIDNSA-N 1 3 429.518 -1.166 20 0 IAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001180385919 1068074251 /nfs/dbraw/zinc/07/42/51/1068074251.db2.gz AUGXPLVRIFBTIR-QINXNJMQSA-N 1 3 429.518 -1.166 20 0 IAADHO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CC12CCC[NH+]1CCC2 ZINC001181108753 1068077390 /nfs/dbraw/zinc/07/73/90/1068077390.db2.gz PRYQTBPDBALYRD-PCYKNENESA-N 1 3 433.469 -1.588 20 0 IAADHO CCCCC[N@@H+](C)CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001181866815 1068079274 /nfs/dbraw/zinc/07/92/74/1068079274.db2.gz GCEOPWLOFUAGRQ-VBVJRUAFSA-N 1 3 437.501 -1.095 20 0 IAADHO CCCCC[N@H+](C)CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001181866815 1068079257 /nfs/dbraw/zinc/07/92/57/1068079257.db2.gz GCEOPWLOFUAGRQ-VBVJRUAFSA-N 1 3 437.501 -1.095 20 0 IAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183732122 1068086720 /nfs/dbraw/zinc/08/67/20/1068086720.db2.gz SPGKLVYCMQAJRS-GCQCLRAASA-N 1 3 443.545 -1.713 20 0 IAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183732125 1068086659 /nfs/dbraw/zinc/08/66/59/1068086659.db2.gz SPGKLVYCMQAJRS-GHJQBBOJSA-N 1 3 443.545 -1.713 20 0 IAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183732127 1068086472 /nfs/dbraw/zinc/08/64/72/1068086472.db2.gz SPGKLVYCMQAJRS-LZBOESDWSA-N 1 3 443.545 -1.713 20 0 IAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183732128 1068086688 /nfs/dbraw/zinc/08/66/88/1068086688.db2.gz SPGKLVYCMQAJRS-VYVINXJXSA-N 1 3 443.545 -1.713 20 0 IAADHO C[NH+](C)Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001187304747 1068104852 /nfs/dbraw/zinc/10/48/52/1068104852.db2.gz VVXONXMQJXZDJY-DZDCQFRTSA-N 1 3 443.464 -1.497 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnn(C2C[NH2+]C2)c1)C(=O)CF ZINC001218639705 1068404705 /nfs/dbraw/zinc/40/47/05/1068404705.db2.gz AVQXWMNURJELRJ-YLVFBTJISA-N 1 3 439.492 -1.133 20 0 IAADHO Nc1ncn(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775992 1068405456 /nfs/dbraw/zinc/40/54/56/1068405456.db2.gz JVZCPRVQWWOWOG-GRYCIOLGSA-N 1 3 444.945 -1.593 20 0 IAADHO Nc1ncn(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775993 1068405379 /nfs/dbraw/zinc/40/53/79/1068405379.db2.gz JVZCPRVQWWOWOG-SDDRHHMPSA-N 1 3 444.945 -1.593 20 0 IAADHO Nc1ncn(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775994 1068405307 /nfs/dbraw/zinc/40/53/07/1068405307.db2.gz JVZCPRVQWWOWOG-SRVKXCTJSA-N 1 3 444.945 -1.593 20 0 IAADHO Nc1ncn(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775995 1068405588 /nfs/dbraw/zinc/40/55/88/1068405588.db2.gz JVZCPRVQWWOWOG-WOPDTQHZSA-N 1 3 444.945 -1.593 20 0 IAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218777941 1068406050 /nfs/dbraw/zinc/40/60/50/1068406050.db2.gz QYRLRKAATGAYSR-CYDGBPFRSA-N 1 3 425.921 -1.032 20 0 IAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218777943 1068406151 /nfs/dbraw/zinc/40/61/51/1068406151.db2.gz QYRLRKAATGAYSR-QNWHQSFQSA-N 1 3 425.921 -1.032 20 0 IAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218777945 1068406125 /nfs/dbraw/zinc/40/61/25/1068406125.db2.gz QYRLRKAATGAYSR-RNJOBUHISA-N 1 3 425.921 -1.032 20 0 IAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218777946 1068406071 /nfs/dbraw/zinc/40/60/71/1068406071.db2.gz QYRLRKAATGAYSR-ZDEQEGDKSA-N 1 3 425.921 -1.032 20 0 IAADHO Nc1ncn(C(=O)CN2CCCC[C@H](N)C2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779508 1068407676 /nfs/dbraw/zinc/40/76/76/1068407676.db2.gz WOVXYSHPTRSDPE-AGIUHOORSA-N 1 3 425.921 -1.030 20 0 IAADHO Nc1ncn(C(=O)CN2CCCC[C@H](N)C2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779511 1068407703 /nfs/dbraw/zinc/40/77/03/1068407703.db2.gz WOVXYSHPTRSDPE-AVGNSLFASA-N 1 3 425.921 -1.030 20 0 IAADHO Nc1ncn(C(=O)CN2CCCC[C@H](N)C2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779514 1068407555 /nfs/dbraw/zinc/40/75/55/1068407555.db2.gz WOVXYSHPTRSDPE-FRRDWIJNSA-N 1 3 425.921 -1.030 20 0 IAADHO Nc1ncn(C(=O)CN2CCCC[C@H](N)C2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779518 1068407609 /nfs/dbraw/zinc/40/76/09/1068407609.db2.gz WOVXYSHPTRSDPE-RWMBFGLXSA-N 1 3 425.921 -1.030 20 0 IAADHO N[C@@H](C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C1CC[NH2+]CC1 ZINC001218877038 1068409416 /nfs/dbraw/zinc/40/94/16/1068409416.db2.gz OGXQBFMHMXPQNZ-GFCCVEGCSA-N 1 3 425.920 -1.100 20 0 IAADHO N[C@H](C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C1CC[NH2+]CC1 ZINC001218877039 1068409163 /nfs/dbraw/zinc/40/91/63/1068409163.db2.gz OGXQBFMHMXPQNZ-LBPRGKRZSA-N 1 3 425.920 -1.100 20 0 IAADHO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1Cl ZINC001218879252 1068410100 /nfs/dbraw/zinc/41/01/00/1068410100.db2.gz OSZLHBITYWASIV-XLKFXECMSA-N 1 3 437.931 -1.228 20 0 IAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595563 1068413022 /nfs/dbraw/zinc/41/30/22/1068413022.db2.gz FVLFMXJWGYGNAD-RDJZCZTQSA-N 1 3 441.554 -1.440 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CC[NH3+])S(C)(=O)=O)C(=O)CF ZINC001219595608 1068412800 /nfs/dbraw/zinc/41/28/00/1068412800.db2.gz HQEPPXTZBWEDAL-MJVIPROJSA-N 1 3 439.510 -2.365 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C(=O)CF ZINC001219736933 1068413841 /nfs/dbraw/zinc/41/38/41/1068413841.db2.gz LDCDVRZDQLOVGW-LOUJCGABSA-N 1 3 443.520 -1.617 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C(=O)CF ZINC001219736934 1068413852 /nfs/dbraw/zinc/41/38/52/1068413852.db2.gz LDCDVRZDQLOVGW-WSMBLCCSSA-N 1 3 443.520 -1.617 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C(=O)CF ZINC001219813580 1068414525 /nfs/dbraw/zinc/41/45/25/1068414525.db2.gz VSOJWGCXKNVTOD-YBLKDPSYSA-N 1 3 443.520 -1.760 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C(=O)CF ZINC001219831250 1068414593 /nfs/dbraw/zinc/41/45/93/1068414593.db2.gz CYRSLMMFIDTQSW-JRTIAUENSA-N 1 3 443.520 -1.619 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C(=O)CF ZINC001219847281 1068414582 /nfs/dbraw/zinc/41/45/82/1068414582.db2.gz BSCMQIJQTLZFFC-PNZLXGSGSA-N 1 3 443.520 -1.477 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C(=O)CF ZINC001219856170 1068414414 /nfs/dbraw/zinc/41/44/14/1068414414.db2.gz AWPYRNHWKKNQTN-NWWFGVIVSA-N 1 3 429.493 -2.009 20 0 IAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856171 1068414534 /nfs/dbraw/zinc/41/45/34/1068414534.db2.gz AXLCCJVDXDQGMY-QTVCLEQKSA-N 1 3 431.537 -1.084 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1cnc(C[NH3+])cc1=N)C(=O)CF ZINC001220020548 1068417173 /nfs/dbraw/zinc/41/71/73/1068417173.db2.gz MODVORBMQBYIES-PKWAYOAASA-N 1 3 425.465 -1.637 20 0 IAADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220043543 1068417244 /nfs/dbraw/zinc/41/72/44/1068417244.db2.gz VVMRLXJIHQKEBV-NKFCBESUSA-N 1 3 439.492 -1.329 20 0 IAADHO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C)N)c(N)nc2=O ZINC001220121968 1068417931 /nfs/dbraw/zinc/41/79/31/1068417931.db2.gz CHUSLIGZPSQOPI-OUAUKWLOSA-N 1 3 425.446 -1.976 20 0 IAADHO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C)N)c(N)nc2=O ZINC001220121971 1068417884 /nfs/dbraw/zinc/41/78/84/1068417884.db2.gz CHUSLIGZPSQOPI-VWYCJHECSA-N 1 3 425.446 -1.976 20 0 IAADHO CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282188 1068418911 /nfs/dbraw/zinc/41/89/11/1068418911.db2.gz ICTULXYVDZNFNR-OAGGEKHMSA-N 1 3 425.507 -1.020 20 0 IAADHO CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282189 1068418859 /nfs/dbraw/zinc/41/88/59/1068418859.db2.gz ICTULXYVDZNFNR-XHSDSOJGSA-N 1 3 425.507 -1.020 20 0 IAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCNCC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220507225 1068422130 /nfs/dbraw/zinc/42/21/30/1068422130.db2.gz UNYSTRJNPCKJPK-FLKCQLHMSA-N 1 3 429.562 -1.286 20 0 IAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCNCC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220507226 1068422067 /nfs/dbraw/zinc/42/20/67/1068422067.db2.gz UNYSTRJNPCKJPK-QERJWTBHSA-N 1 3 429.562 -1.286 20 0 IAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCNCC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001220507227 1068421970 /nfs/dbraw/zinc/42/19/70/1068421970.db2.gz UNYSTRJNPCKJPK-UNTXSKPGSA-N 1 3 429.562 -1.286 20 0 IAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCNCC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001220507228 1068422099 /nfs/dbraw/zinc/42/20/99/1068422099.db2.gz UNYSTRJNPCKJPK-ZZGLYJMHSA-N 1 3 429.562 -1.286 20 0 IAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCOCCOCC[NH3+] ZINC001220519456 1068422816 /nfs/dbraw/zinc/42/28/16/1068422816.db2.gz ORZGTRNXOZMNIK-ULQDDVLXSA-N 1 3 429.562 -1.036 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCOCCOCC[NH3+])C(=O)CF ZINC001220519721 1068422931 /nfs/dbraw/zinc/42/29/31/1068422931.db2.gz ZGUWFMRDAWCHBR-ZQIUZPCESA-N 1 3 449.524 -2.004 20 0 IAADHO CCOC(=O)CN(CC[NH3+])C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220583565 1068423670 /nfs/dbraw/zinc/42/36/70/1068423670.db2.gz NYKFWXVHJYJWRA-DCGLDWPTSA-N 1 3 447.508 -1.762 20 0 IAADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2COC3(CNC3)CN2)c2nonc21 ZINC001220749057 1068424476 /nfs/dbraw/zinc/42/44/76/1068424476.db2.gz ODVLAJHQLGFICK-LLVKDONJSA-N 1 3 439.498 -1.905 20 0 IAADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2COC3(CNC3)CN2)c2nonc21 ZINC001220749058 1068424441 /nfs/dbraw/zinc/42/44/41/1068424441.db2.gz ODVLAJHQLGFICK-NSHDSACASA-N 1 3 439.498 -1.905 20 0 IAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749074 1068424458 /nfs/dbraw/zinc/42/44/58/1068424458.db2.gz OXNHJBSINRCYGA-UWVGGRQHSA-N 1 3 427.487 -1.383 20 0 IAADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902789 1068426047 /nfs/dbraw/zinc/42/60/47/1068426047.db2.gz ADEFXWYPGOBJKA-RYUDHWBXSA-N 1 3 425.581 -1.031 20 0 IAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902842 1068426231 /nfs/dbraw/zinc/42/62/31/1068426231.db2.gz CIUUNCNKJBEFOO-KKUMJFAQSA-N 1 3 444.537 -1.480 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCO[C@@H]1CC[NH2+]C1)C(=O)CF ZINC001220937772 1068426786 /nfs/dbraw/zinc/42/67/86/1068426786.db2.gz ZUEAGIFGVXIUOV-LOUJCGABSA-N 1 3 431.509 -1.617 20 0 IAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCO[C@H]1CC[NH2+]C1)C(=O)CF ZINC001220937773 1068426741 /nfs/dbraw/zinc/42/67/41/1068426741.db2.gz ZUEAGIFGVXIUOV-WSMBLCCSSA-N 1 3 431.509 -1.617 20 0 IAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1)C(N)=O ZINC001220971262 1068426827 /nfs/dbraw/zinc/42/68/27/1068426827.db2.gz ZJAYGMZUZBYNTD-GOEBONIOSA-N 1 3 432.525 -1.280 20 0 IAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001221187655 1068428385 /nfs/dbraw/zinc/42/83/85/1068428385.db2.gz DJICRNHMWJRVJH-QCQGSNGOSA-N 1 3 447.508 -1.715 20 0 IAADHO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)S(C)(=O)=O)c(F)c1 ZINC001221262557 1068430211 /nfs/dbraw/zinc/43/02/11/1068430211.db2.gz HZCQOBGUHGHHLU-LWINAJNOSA-N 1 3 435.453 -1.016 20 0 IAADHO CO[C@@H](CN)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352655 1068431650 /nfs/dbraw/zinc/43/16/50/1068431650.db2.gz XRLPTBYVABPOSO-VGWMRTNUSA-N 1 3 442.561 -1.809 20 0 IAADHO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037524 1068442071 /nfs/dbraw/zinc/44/20/71/1068442071.db2.gz BSUXKSWKFABOIN-AZUAARDMSA-N 1 3 434.541 -1.075 20 0 IAADHO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037525 1068441932 /nfs/dbraw/zinc/44/19/32/1068441932.db2.gz BSUXKSWKFABOIN-ICSRJNTNSA-N 1 3 434.541 -1.075 20 0 IAADHO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037526 1068441780 /nfs/dbraw/zinc/44/17/80/1068441780.db2.gz BSUXKSWKFABOIN-QUCCMNQESA-N 1 3 434.541 -1.075 20 0 IAADHO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037527 1068441950 /nfs/dbraw/zinc/44/19/50/1068441950.db2.gz BSUXKSWKFABOIN-UYAOXDASSA-N 1 3 434.541 -1.075 20 0 IAADHO CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n([C@H]1CC[NH2+]C3(CNC3)C1)c(N)nc2=O ZINC001246271158 1068443345 /nfs/dbraw/zinc/44/33/45/1068443345.db2.gz XVAKVPUMJWQQKW-KBPBESRZSA-N 1 3 448.528 -1.058 20 0 IAADHO CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n([C@@H]1CC[NH2+]C3(CNC3)C1)c(N)nc2=O ZINC001246271171 1068443450 /nfs/dbraw/zinc/44/34/50/1068443450.db2.gz XVAKVPUMJWQQKW-KGLIPLIRSA-N 1 3 448.528 -1.058 20 0 IAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CCNC(=O)C1)C(N)=O ZINC001246488008 1068445115 /nfs/dbraw/zinc/44/51/15/1068445115.db2.gz VFRICEWOJHTYHL-CVYDXHPNSA-N 1 3 438.573 -1.031 20 0 IAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CCNC(=O)C1)C(N)=O ZINC001246488009 1068445062 /nfs/dbraw/zinc/44/50/62/1068445062.db2.gz VFRICEWOJHTYHL-OVWQWFNUSA-N 1 3 438.573 -1.031 20 0 IAADHO [NH3+]CCOCCOCCOCCOCCOCCOCCN[C@@H]1CCS(=O)(=O)C1 ZINC001254323371 1068460314 /nfs/dbraw/zinc/46/03/14/1068460314.db2.gz GDCSTICQZNGKLM-GOSISDBHSA-N 1 3 442.575 -1.179 20 0 IAADHO [NH3+]CCOCCOCCOCCOCCOCCOCCN[C@H]1CCS(=O)(=O)C1 ZINC001254323372 1068460221 /nfs/dbraw/zinc/46/02/21/1068460221.db2.gz GDCSTICQZNGKLM-SFHVURJKSA-N 1 3 442.575 -1.179 20 0 IAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCSC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001255279997 1068462752 /nfs/dbraw/zinc/46/27/52/1068462752.db2.gz SJEOZFVSLDRAFK-ILXRZTDVSA-N 1 3 425.559 -1.354 20 0 IAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCSC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001255280007 1068462981 /nfs/dbraw/zinc/46/29/81/1068462981.db2.gz SJEOZFVSLDRAFK-KKUMJFAQSA-N 1 3 425.559 -1.354 20 0 IAADHO