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20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1=O ZINC000468387141 1075679138 /nfs/dbraw/zinc/67/91/38/1075679138.db2.gz DRZQIKVXJDNUGP-HNNXBMFYSA-N 0 3 393.488 -1.310 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1=O ZINC000468387142 1075679449 /nfs/dbraw/zinc/67/94/49/1075679449.db2.gz DRZQIKVXJDNUGP-OAHLLOKOSA-N 0 3 393.488 -1.310 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1=O ZINC000468404414 530129951 /nfs/dbraw/zinc/12/99/51/530129951.db2.gz CSIKBDBRKQUSPD-CHWSQXEVSA-N 0 3 375.495 -1.572 20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1=O ZINC000468404415 530129938 /nfs/dbraw/zinc/12/99/38/530129938.db2.gz CSIKBDBRKQUSPD-OLZOCXBDSA-N 0 3 375.495 -1.572 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1=O ZINC000468404416 530129585 /nfs/dbraw/zinc/12/95/85/530129585.db2.gz CSIKBDBRKQUSPD-QWHCGFSZSA-N 0 3 375.495 -1.572 20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1=O ZINC000468404417 530129532 /nfs/dbraw/zinc/12/95/32/530129532.db2.gz CSIKBDBRKQUSPD-STQMWFEESA-N 0 3 375.495 -1.572 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000468480341 1075679843 /nfs/dbraw/zinc/67/98/43/1075679843.db2.gz SRMXVQZCORKRQU-CHWSQXEVSA-N 0 3 388.490 -1.842 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000468480342 1075679867 /nfs/dbraw/zinc/67/98/67/1075679867.db2.gz SRMXVQZCORKRQU-OLZOCXBDSA-N 0 3 388.490 -1.842 20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000468480343 1075679874 /nfs/dbraw/zinc/67/98/74/1075679874.db2.gz SRMXVQZCORKRQU-QWHCGFSZSA-N 0 3 388.490 -1.842 20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000468480344 1075679817 /nfs/dbraw/zinc/67/98/17/1075679817.db2.gz SRMXVQZCORKRQU-STQMWFEESA-N 0 3 388.490 -1.842 20 0 GAADHN COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000469197992 1074038419 /nfs/dbraw/zinc/03/84/19/1074038419.db2.gz KUIOVRZPFWYWPH-HNNXBMFYSA-N 0 3 384.477 -1.270 20 0 GAADHN COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000469198102 1075683739 /nfs/dbraw/zinc/68/37/39/1075683739.db2.gz KUIOVRZPFWYWPH-OAHLLOKOSA-N 0 3 384.477 -1.270 20 0 GAADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469287804 1075684418 /nfs/dbraw/zinc/68/44/18/1075684418.db2.gz XCTLVYLHFDNBFX-AWEZNQCLSA-N 0 3 392.460 -0.719 20 0 GAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469287832 1074881799 /nfs/dbraw/zinc/88/17/99/1074881799.db2.gz XCTLVYLHFDNBFX-CQSZACIVSA-N 0 3 392.460 -0.719 20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1=O ZINC000469311157 1074093629 /nfs/dbraw/zinc/09/36/29/1074093629.db2.gz ZWKPBCRIMIREOG-HNNXBMFYSA-N 0 3 378.477 -0.436 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1=O ZINC000469311204 1075684301 /nfs/dbraw/zinc/68/43/01/1075684301.db2.gz ZWKPBCRIMIREOG-OAHLLOKOSA-N 0 3 378.477 -0.436 20 0 GAADHN CCN1CCN([C@@H](C)CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469326875 530130546 /nfs/dbraw/zinc/13/05/46/530130546.db2.gz LUOIXJFHTMTGPU-AWEZNQCLSA-N 0 3 397.567 -1.576 20 0 GAADHN CCN1CCN([C@H](C)CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469326886 530130716 /nfs/dbraw/zinc/13/07/16/530130716.db2.gz LUOIXJFHTMTGPU-CQSZACIVSA-N 0 3 397.567 -1.576 20 0 GAADHN COCCN1CC[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000469352017 530130346 /nfs/dbraw/zinc/13/03/46/530130346.db2.gz MVASDEDQAOKWMC-CYBMUJFWSA-N 0 3 378.495 -1.343 20 0 GAADHN COCCN1CC[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000469352020 530130609 /nfs/dbraw/zinc/13/06/09/530130609.db2.gz MVASDEDQAOKWMC-ZDUSSCGKSA-N 0 3 378.495 -1.343 20 0 GAADHN CCN1CCN(CCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000469490835 1075685092 /nfs/dbraw/zinc/68/50/92/1075685092.db2.gz YIUCAPWIXFRETE-UHFFFAOYSA-N 0 3 391.538 -1.426 20 0 GAADHN CCN(CCO)CCNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000469619958 1075685395 /nfs/dbraw/zinc/68/53/95/1075685395.db2.gz IPGGUEGQWXPGGT-UHFFFAOYSA-N 0 3 398.485 -1.086 20 0 GAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000469632445 530130687 /nfs/dbraw/zinc/13/06/87/530130687.db2.gz JORNPOCSYMHUFS-UHFFFAOYSA-N 0 3 376.410 -1.158 20 0 GAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000469638834 1075685777 /nfs/dbraw/zinc/68/57/77/1075685777.db2.gz YYOOBWCFBBNIPK-UHFFFAOYSA-N 0 3 392.416 -1.999 20 0 GAADHN C[C@@H](CNC(=O)CN1CCN(S(C)(=O)=O)CC1)CN1CCN(C)CC1 ZINC000469869341 530131293 /nfs/dbraw/zinc/13/12/93/530131293.db2.gz FHXSPAZGRCENJX-HNNXBMFYSA-N 0 3 375.539 -1.437 20 0 GAADHN C[C@H](CNC(=O)CN1CCN(S(C)(=O)=O)CC1)CN1CCN(C)CC1 ZINC000469869349 530130952 /nfs/dbraw/zinc/13/09/52/530130952.db2.gz FHXSPAZGRCENJX-OAHLLOKOSA-N 0 3 375.539 -1.437 20 0 GAADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469872111 1074232030 /nfs/dbraw/zinc/23/20/30/1074232030.db2.gz NVSBAULXDLPPGA-INIZCTEOSA-N 0 3 389.566 -1.047 20 0 GAADHN CCN1CCN(C[C@H](C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469872112 1074231864 /nfs/dbraw/zinc/23/18/64/1074231864.db2.gz NVSBAULXDLPPGA-MRXNPFEDSA-N 0 3 389.566 -1.047 20 0 GAADHN CCN1CCN(CCCNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469874057 530131258 /nfs/dbraw/zinc/13/12/58/530131258.db2.gz PBKBAIVLYUGQRA-UHFFFAOYSA-N 0 3 375.539 -1.293 20 0 GAADHN CCN1CCN([C@@H](C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469898445 530131362 /nfs/dbraw/zinc/13/13/62/530131362.db2.gz DANDKXGAUDYLQG-HNNXBMFYSA-N 0 3 375.539 -1.294 20 0 GAADHN CCN1CCN([C@H](C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469898446 530131178 /nfs/dbraw/zinc/13/11/78/530131178.db2.gz DANDKXGAUDYLQG-OAHLLOKOSA-N 0 3 375.539 -1.294 20 0 GAADHN C[C@H](CO)N1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000470050432 1075687367 /nfs/dbraw/zinc/68/73/67/1075687367.db2.gz JRYRWCDPDZGVPE-CYBMUJFWSA-N 0 3 377.445 -1.046 20 0 GAADHN C[C@@H](CO)N1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000470050433 1075687289 /nfs/dbraw/zinc/68/72/89/1075687289.db2.gz JRYRWCDPDZGVPE-ZDUSSCGKSA-N 0 3 377.445 -1.046 20 0 GAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000470057506 1075687389 /nfs/dbraw/zinc/68/73/89/1075687389.db2.gz SHYPNXKLLVDJFP-AWEZNQCLSA-N 0 3 392.522 -1.264 20 0 GAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000470057507 1075687323 /nfs/dbraw/zinc/68/73/23/1075687323.db2.gz SHYPNXKLLVDJFP-CQSZACIVSA-N 0 3 392.522 -1.264 20 0 GAADHN C[C@H](CO)N1CCCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470062367 1075687167 /nfs/dbraw/zinc/68/71/67/1075687167.db2.gz NVIXWFHVPHOWCE-CYBMUJFWSA-N 0 3 392.460 -1.261 20 0 GAADHN C[C@@H](CO)N1CCCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470062368 1075687272 /nfs/dbraw/zinc/68/72/72/1075687272.db2.gz NVIXWFHVPHOWCE-ZDUSSCGKSA-N 0 3 392.460 -1.261 20 0 GAADHN C[C@H](CO)N1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470066074 1075687357 /nfs/dbraw/zinc/68/73/57/1075687357.db2.gz KQPSLPVZJFSQOG-GFCCVEGCSA-N 0 3 378.433 -1.651 20 0 GAADHN C[C@@H](CO)N1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470066075 1075687215 /nfs/dbraw/zinc/68/72/15/1075687215.db2.gz KQPSLPVZJFSQOG-LBPRGKRZSA-N 0 3 378.433 -1.651 20 0 GAADHN CN(CCCN1CCN(C)CC1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000470474345 530131352 /nfs/dbraw/zinc/13/13/52/530131352.db2.gz FBVVOEJFSBSYHD-UHFFFAOYSA-N 0 3 375.539 -1.341 20 0 GAADHN [NH3+]CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000470479899 1075688978 /nfs/dbraw/zinc/68/89/78/1075688978.db2.gz LSCXUZLQKSXYQN-UHFFFAOYSA-N 0 3 380.430 -1.529 20 0 GAADHN CCN(CCO)CCNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000470590039 1075688935 /nfs/dbraw/zinc/68/89/35/1075688935.db2.gz CQJYUUKDNIYDOK-UHFFFAOYSA-N 0 3 386.430 -1.328 20 0 GAADHN CCN(CCO)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000470590403 1075689003 /nfs/dbraw/zinc/68/90/03/1075689003.db2.gz GTVSHYFHOCOUPK-GFCCVEGCSA-N 0 3 386.474 -1.117 20 0 GAADHN CCN(CCO)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000470590404 1075688872 /nfs/dbraw/zinc/68/88/72/1075688872.db2.gz GTVSHYFHOCOUPK-LBPRGKRZSA-N 0 3 386.474 -1.117 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000470971372 1074890329 /nfs/dbraw/zinc/89/03/29/1074890329.db2.gz XCKVDJGKITXIGC-GFCCVEGCSA-N 0 3 377.449 -1.177 20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000470971373 1074890183 /nfs/dbraw/zinc/89/01/83/1074890183.db2.gz XCKVDJGKITXIGC-LBPRGKRZSA-N 0 3 377.449 -1.177 20 0 GAADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000474781576 530132411 /nfs/dbraw/zinc/13/24/11/530132411.db2.gz ABRWBYSBZMUDGJ-HNNXBMFYSA-N 0 3 375.539 -1.294 20 0 GAADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000474781581 530132683 /nfs/dbraw/zinc/13/26/83/530132683.db2.gz ABRWBYSBZMUDGJ-OAHLLOKOSA-N 0 3 375.539 -1.294 20 0 GAADHN NC(=O)C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475724822 1074791926 /nfs/dbraw/zinc/79/19/26/1074791926.db2.gz VQNSFRQAWJOCRJ-INIZCTEOSA-N 0 3 395.504 -1.423 20 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N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc4c(c3)OCO4)CCN2C1=O ZINC000580963981 1073547541 /nfs/dbraw/zinc/54/75/41/1073547541.db2.gz JOUYOBWCESSHNH-YPMHNXCESA-N 0 3 390.396 -1.319 20 0 GAADHN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2C1=O ZINC000581023050 1073548262 /nfs/dbraw/zinc/54/82/62/1073548262.db2.gz FFISLGJSROGPNB-GWCFXTLKSA-N 0 3 385.380 -1.379 20 0 GAADHN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2C1=O ZINC000581023051 1073548056 /nfs/dbraw/zinc/54/80/56/1073548056.db2.gz FFISLGJSROGPNB-GXFFZTMASA-N 0 3 385.380 -1.379 20 0 GAADHN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2C1=O ZINC000581023052 1073547968 /nfs/dbraw/zinc/54/79/68/1073547968.db2.gz FFISLGJSROGPNB-MFKMUULPSA-N 0 3 385.380 -1.379 20 0 GAADHN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2C1=O ZINC000581023053 1073548284 /nfs/dbraw/zinc/54/82/84/1073548284.db2.gz FFISLGJSROGPNB-ZWNOBZJWSA-N 0 3 385.380 -1.379 20 0 GAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000581023735 1073548193 /nfs/dbraw/zinc/54/81/93/1073548193.db2.gz UQOMWDICUMEYDM-CVEARBPZSA-N 0 3 399.451 -1.035 20 0 GAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000581023736 1073548347 /nfs/dbraw/zinc/54/83/47/1073548347.db2.gz UQOMWDICUMEYDM-HOTGVXAUSA-N 0 3 399.451 -1.035 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000581023737 1073547997 /nfs/dbraw/zinc/54/79/97/1073547997.db2.gz UQOMWDICUMEYDM-HZPDHXFCSA-N 0 3 399.451 -1.035 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000581023738 1073548152 /nfs/dbraw/zinc/54/81/52/1073548152.db2.gz UQOMWDICUMEYDM-JKSUJKDBSA-N 0 3 399.451 -1.035 20 0 GAADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000581159571 1073550074 /nfs/dbraw/zinc/55/00/74/1073550074.db2.gz NWHGMJIXJXKRLE-ZBFHGGJFSA-N 0 3 394.476 -1.107 20 0 GAADHN Cc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1S(N)(=O)=O ZINC000581202895 1073550642 /nfs/dbraw/zinc/55/06/42/1073550642.db2.gz YATLPKKDPMRQPP-CHWSQXEVSA-N 0 3 381.458 -1.175 20 0 GAADHN Cc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1S(N)(=O)=O ZINC000581202896 1073550526 /nfs/dbraw/zinc/55/05/26/1073550526.db2.gz YATLPKKDPMRQPP-OLZOCXBDSA-N 0 3 381.458 -1.175 20 0 GAADHN Cc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1S(N)(=O)=O ZINC000581202897 1073550603 /nfs/dbraw/zinc/55/06/03/1073550603.db2.gz YATLPKKDPMRQPP-QWHCGFSZSA-N 0 3 381.458 -1.175 20 0 GAADHN Cc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1S(N)(=O)=O ZINC000581202898 1073550708 /nfs/dbraw/zinc/55/07/08/1073550708.db2.gz YATLPKKDPMRQPP-STQMWFEESA-N 0 3 381.458 -1.175 20 0 GAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000581262638 1073552750 /nfs/dbraw/zinc/55/27/50/1073552750.db2.gz ZIRLRDCEVJDJMN-CABCVRRESA-N 0 3 386.456 -1.063 20 0 GAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000581262640 1073553034 /nfs/dbraw/zinc/55/30/34/1073553034.db2.gz ZIRLRDCEVJDJMN-GJZGRUSLSA-N 0 3 386.456 -1.063 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000581262641 1073553640 /nfs/dbraw/zinc/55/36/40/1073553640.db2.gz ZIRLRDCEVJDJMN-HUUCEWRRSA-N 0 3 386.456 -1.063 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000581262642 1073553415 /nfs/dbraw/zinc/55/34/15/1073553415.db2.gz ZIRLRDCEVJDJMN-LSDHHAIUSA-N 0 3 386.456 -1.063 20 0 GAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000581267477 1073553382 /nfs/dbraw/zinc/55/33/82/1073553382.db2.gz PXFGOETVJJPUBM-CVEARBPZSA-N 0 3 395.504 -1.412 20 0 GAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000581267478 1073553473 /nfs/dbraw/zinc/55/34/73/1073553473.db2.gz PXFGOETVJJPUBM-HOTGVXAUSA-N 0 3 395.504 -1.412 20 0 GAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000581267479 1073553506 /nfs/dbraw/zinc/55/35/06/1073553506.db2.gz PXFGOETVJJPUBM-HZPDHXFCSA-N 0 3 395.504 -1.412 20 0 GAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000581267480 1073553799 /nfs/dbraw/zinc/55/37/99/1073553799.db2.gz PXFGOETVJJPUBM-JKSUJKDBSA-N 0 3 395.504 -1.412 20 0 GAADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2)c1=O ZINC000581322192 1073554536 /nfs/dbraw/zinc/55/45/36/1073554536.db2.gz OXNBYASQTHZNLE-KBPBESRZSA-N 0 3 399.411 -1.720 20 0 GAADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2)c1=O ZINC000581322193 1073554386 /nfs/dbraw/zinc/55/43/86/1073554386.db2.gz OXNBYASQTHZNLE-KGLIPLIRSA-N 0 3 399.411 -1.720 20 0 GAADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)c1=O ZINC000581322194 1073554263 /nfs/dbraw/zinc/55/42/63/1073554263.db2.gz OXNBYASQTHZNLE-UONOGXRCSA-N 0 3 399.411 -1.720 20 0 GAADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)c1=O ZINC000581322195 1073554439 /nfs/dbraw/zinc/55/44/39/1073554439.db2.gz OXNBYASQTHZNLE-ZIAGYGMSSA-N 0 3 399.411 -1.720 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CC(=O)N(C4CCCCC4)C3)CCN2C1=O ZINC000581322401 1073554577 /nfs/dbraw/zinc/55/45/77/1073554577.db2.gz YBLROYCTRAXCSB-AEGPPILISA-N 0 3 391.472 -1.193 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)CCN2C1=O ZINC000581322402 1073554415 /nfs/dbraw/zinc/55/44/15/1073554415.db2.gz YBLROYCTRAXCSB-BPLDGKMQSA-N 0 3 391.472 -1.193 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC(=O)N(C4CCCCC4)C3)CCN2C1=O ZINC000581322403 1073554462 /nfs/dbraw/zinc/55/44/62/1073554462.db2.gz YBLROYCTRAXCSB-NWANDNLSSA-N 0 3 391.472 -1.193 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)CCN2C1=O ZINC000581322404 1073554218 /nfs/dbraw/zinc/55/42/18/1073554218.db2.gz YBLROYCTRAXCSB-VHDGCEQUSA-N 0 3 391.472 -1.193 20 0 GAADHN COCCOc1ncccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581322452 1073554498 /nfs/dbraw/zinc/55/44/98/1073554498.db2.gz ZKOOMJZCEXHDTC-KBPBESRZSA-N 0 3 391.428 -1.507 20 0 GAADHN COCCOc1ncccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581322453 1073554518 /nfs/dbraw/zinc/55/45/18/1073554518.db2.gz ZKOOMJZCEXHDTC-KGLIPLIRSA-N 0 3 391.428 -1.507 20 0 GAADHN COCCOc1ncccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581322454 1073554338 /nfs/dbraw/zinc/55/43/38/1073554338.db2.gz ZKOOMJZCEXHDTC-UONOGXRCSA-N 0 3 391.428 -1.507 20 0 GAADHN COCCOc1ncccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581322455 1073554178 /nfs/dbraw/zinc/55/41/78/1073554178.db2.gz ZKOOMJZCEXHDTC-ZIAGYGMSSA-N 0 3 391.428 -1.507 20 0 GAADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1=CCN(C)CC1 ZINC000581396497 1073555782 /nfs/dbraw/zinc/55/57/82/1073555782.db2.gz GVWQDOIDRVVUOQ-CYBMUJFWSA-N 0 3 390.448 -1.890 20 0 GAADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1=CCN(C)CC1 ZINC000581396498 1073555830 /nfs/dbraw/zinc/55/58/30/1073555830.db2.gz GVWQDOIDRVVUOQ-ZDUSSCGKSA-N 0 3 390.448 -1.890 20 0 GAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000581415360 1073556627 /nfs/dbraw/zinc/55/66/27/1073556627.db2.gz VOWXKMJFANOMNS-INIZCTEOSA-N 0 3 393.488 -1.704 20 0 GAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000581415361 1073556797 /nfs/dbraw/zinc/55/67/97/1073556797.db2.gz VOWXKMJFANOMNS-MRXNPFEDSA-N 0 3 393.488 -1.704 20 0 GAADHN COCCN(C)CCN1C[C@H](NC(=O)c2nc(N)nc(N(C)C)n2)CC1=O ZINC000581555417 1073560501 /nfs/dbraw/zinc/56/05/01/1073560501.db2.gz SYWHQSZVXRTKOZ-LLVKDONJSA-N 0 3 380.453 -1.571 20 0 GAADHN COCCN(C)CCN1C[C@@H](NC(=O)c2nc(N)nc(N(C)C)n2)CC1=O ZINC000581555418 1074889535 /nfs/dbraw/zinc/88/95/35/1074889535.db2.gz SYWHQSZVXRTKOZ-NSHDSACASA-N 0 3 380.453 -1.571 20 0 GAADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H](C)O1 ZINC000581836137 1073568946 /nfs/dbraw/zinc/56/89/46/1073568946.db2.gz VCCXKGBMGMUUBL-APIJFGDWSA-N 0 3 395.504 -1.239 20 0 GAADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H](C)O1 ZINC000581836138 1073569022 /nfs/dbraw/zinc/56/90/22/1073569022.db2.gz VCCXKGBMGMUUBL-KBUPBQIOSA-N 0 3 395.504 -1.239 20 0 GAADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H](C)O1 ZINC000581836139 1073568802 /nfs/dbraw/zinc/56/88/02/1073568802.db2.gz VCCXKGBMGMUUBL-LJISPDSOSA-N 0 3 395.504 -1.239 20 0 GAADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H](C)O1 ZINC000581836140 1073568682 /nfs/dbraw/zinc/56/86/82/1073568682.db2.gz VCCXKGBMGMUUBL-LXTVHRRPSA-N 0 3 395.504 -1.239 20 0 GAADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000582014358 530167851 /nfs/dbraw/zinc/16/78/51/530167851.db2.gz PPIDTRVFFLIQOK-GHMZBOCLSA-N 0 3 381.480 -2.948 20 0 GAADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000582014359 530167889 /nfs/dbraw/zinc/16/78/89/530167889.db2.gz PPIDTRVFFLIQOK-MNOVXSKESA-N 0 3 381.480 -2.948 20 0 GAADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000582014360 530167866 /nfs/dbraw/zinc/16/78/66/530167866.db2.gz PPIDTRVFFLIQOK-QWRGUYRKSA-N 0 3 381.480 -2.948 20 0 GAADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000582014361 530168107 /nfs/dbraw/zinc/16/81/07/530168107.db2.gz PPIDTRVFFLIQOK-WDEREUQCSA-N 0 3 381.480 -2.948 20 0 GAADHN O=C(CN1CCCC1)N1CCN([C@H]2CC(=O)N(CCOCCO)C2=O)CC1 ZINC000582067120 1073585454 /nfs/dbraw/zinc/58/54/54/1073585454.db2.gz GBISJMFANCNQMD-HNNXBMFYSA-N 0 3 382.461 -1.637 20 0 GAADHN O=C(CN1CCCC1)N1CCN([C@@H]2CC(=O)N(CCOCCO)C2=O)CC1 ZINC000582067121 1073586575 /nfs/dbraw/zinc/58/65/75/1073586575.db2.gz GBISJMFANCNQMD-OAHLLOKOSA-N 0 3 382.461 -1.637 20 0 GAADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CCCCN1CCO)c(=O)n2C ZINC000582222935 1073588360 /nfs/dbraw/zinc/58/83/60/1073588360.db2.gz DVPCZQVYGDYSIX-GFCCVEGCSA-N 0 3 378.433 -1.603 20 0 GAADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1CCCCN1CCO)c(=O)n2C ZINC000582222936 1073588299 /nfs/dbraw/zinc/58/82/99/1073588299.db2.gz DVPCZQVYGDYSIX-LBPRGKRZSA-N 0 3 378.433 -1.603 20 0 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N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000595276764 1074541963 /nfs/dbraw/zinc/54/19/63/1074541963.db2.gz YLEHAZCBTHBCED-KGLIPLIRSA-N 0 3 379.461 -1.334 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000595276765 1074542074 /nfs/dbraw/zinc/54/20/74/1074542074.db2.gz YLEHAZCBTHBCED-UONOGXRCSA-N 0 3 379.461 -1.334 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000595276766 1074542111 /nfs/dbraw/zinc/54/21/11/1074542111.db2.gz YLEHAZCBTHBCED-ZIAGYGMSSA-N 0 3 379.461 -1.334 20 0 GAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cn4cncn4)cc3)CCN2C1=O ZINC000595276788 1074542206 /nfs/dbraw/zinc/54/22/06/1074542206.db2.gz ZTEKDDGDLLUXBR-CVEARBPZSA-N 0 3 397.439 -1.287 20 0 GAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cn4cncn4)cc3)CCN2C1=O ZINC000595276789 1074542300 /nfs/dbraw/zinc/54/23/00/1074542300.db2.gz ZTEKDDGDLLUXBR-HOTGVXAUSA-N 0 3 397.439 -1.287 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cn4cncn4)cc3)CCN2C1=O ZINC000595276790 1074542218 /nfs/dbraw/zinc/54/22/18/1074542218.db2.gz ZTEKDDGDLLUXBR-HZPDHXFCSA-N 0 3 397.439 -1.287 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cn4cncn4)cc3)CCN2C1=O ZINC000595276791 1074542022 /nfs/dbraw/zinc/54/20/22/1074542022.db2.gz ZTEKDDGDLLUXBR-JKSUJKDBSA-N 0 3 397.439 -1.287 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CCN2C1=O ZINC000595277693 1074542652 /nfs/dbraw/zinc/54/26/52/1074542652.db2.gz MRRYFBGWPFSYFJ-AEGPPILISA-N 0 3 385.424 -1.322 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CCN2C1=O ZINC000595277694 1074542710 /nfs/dbraw/zinc/54/27/10/1074542710.db2.gz MRRYFBGWPFSYFJ-BPLDGKMQSA-N 0 3 385.424 -1.322 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CCN2C1=O ZINC000595277695 1074542693 /nfs/dbraw/zinc/54/26/93/1074542693.db2.gz MRRYFBGWPFSYFJ-NWANDNLSSA-N 0 3 385.424 -1.322 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CCN2C1=O ZINC000595277696 1074542789 /nfs/dbraw/zinc/54/27/89/1074542789.db2.gz MRRYFBGWPFSYFJ-VHDGCEQUSA-N 0 3 385.424 -1.322 20 0 GAADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1=O ZINC000595278939 1074542763 /nfs/dbraw/zinc/54/27/63/1074542763.db2.gz UUHQPQAIHOXQSX-AVGNSLFASA-N 0 3 379.461 -1.480 20 0 GAADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1=O ZINC000595278941 1074542617 /nfs/dbraw/zinc/54/26/17/1074542617.db2.gz UUHQPQAIHOXQSX-RWMBFGLXSA-N 0 3 379.461 -1.480 20 0 GAADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1=O ZINC000595278942 1074542815 /nfs/dbraw/zinc/54/28/15/1074542815.db2.gz UUHQPQAIHOXQSX-XQQFMLRXSA-N 0 3 379.461 -1.480 20 0 GAADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1=O ZINC000595278943 1074542630 /nfs/dbraw/zinc/54/26/30/1074542630.db2.gz UUHQPQAIHOXQSX-YNEHKIRRSA-N 0 3 379.461 -1.480 20 0 GAADHN COc1ccccc1OCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595279247 1074542808 /nfs/dbraw/zinc/54/28/08/1074542808.db2.gz GPYYIYLYTSMHIG-CHWSQXEVSA-N 0 3 376.413 -1.039 20 0 GAADHN COc1ccccc1OCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595279249 1074542700 /nfs/dbraw/zinc/54/27/00/1074542700.db2.gz GPYYIYLYTSMHIG-OLZOCXBDSA-N 0 3 376.413 -1.039 20 0 GAADHN COc1ccccc1OCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595279250 1074543240 /nfs/dbraw/zinc/54/32/40/1074543240.db2.gz GPYYIYLYTSMHIG-QWHCGFSZSA-N 0 3 376.413 -1.039 20 0 GAADHN COc1ccccc1OCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595279251 1074543289 /nfs/dbraw/zinc/54/32/89/1074543289.db2.gz GPYYIYLYTSMHIG-STQMWFEESA-N 0 3 376.413 -1.039 20 0 GAADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000595279368 1074542797 /nfs/dbraw/zinc/54/27/97/1074542797.db2.gz KBQXEPRWTVZIJH-FPMFFAJLSA-N 0 3 398.427 -1.390 20 0 GAADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1nnnn1-c1ccccc1 ZINC000595279369 1074542674 /nfs/dbraw/zinc/54/26/74/1074542674.db2.gz KBQXEPRWTVZIJH-IACUBPJLSA-N 0 3 398.427 -1.390 20 0 GAADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000595279370 1074542825 /nfs/dbraw/zinc/54/28/25/1074542825.db2.gz KBQXEPRWTVZIJH-UBHSHLNASA-N 0 3 398.427 -1.390 20 0 GAADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1nnnn1-c1ccccc1 ZINC000595279371 1074542770 /nfs/dbraw/zinc/54/27/70/1074542770.db2.gz KBQXEPRWTVZIJH-YUTCNCBUSA-N 0 3 398.427 -1.390 20 0 GAADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000595280860 1074543199 /nfs/dbraw/zinc/54/31/99/1074543199.db2.gz DFJXRFSFZGBVBG-UHFFFAOYSA-N 0 3 394.432 -1.647 20 0 GAADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C1CC1 ZINC000595280934 1073905993 /nfs/dbraw/zinc/90/59/93/1073905993.db2.gz FSBZHWRJLFJJRT-NWDGAFQWSA-N 0 3 377.401 -1.085 20 0 GAADHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595280955 1074543215 /nfs/dbraw/zinc/54/32/15/1074543215.db2.gz BSWXUPUOKYWCIE-PSOPSSQASA-N 0 3 376.461 -1.145 20 0 GAADHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595280964 1074543269 /nfs/dbraw/zinc/54/32/69/1074543269.db2.gz BSWXUPUOKYWCIE-VZJVUDMVSA-N 0 3 376.461 -1.145 20 0 GAADHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595280965 1074543179 /nfs/dbraw/zinc/54/31/79/1074543179.db2.gz BSWXUPUOKYWCIE-XEGUGMAKSA-N 0 3 376.461 -1.145 20 0 GAADHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595280966 1074543092 /nfs/dbraw/zinc/54/30/92/1074543092.db2.gz BSWXUPUOKYWCIE-ZBINZKHDSA-N 0 3 376.461 -1.145 20 0 GAADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(=O)N1CCOCC1 ZINC000595281244 1074543769 /nfs/dbraw/zinc/54/37/69/1074543769.db2.gz FGLKUTSDJGXSDQ-AGIUHOORSA-N 0 3 381.433 -2.490 20 0 GAADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(=O)N1CCOCC1 ZINC000595281248 1074543818 /nfs/dbraw/zinc/54/38/18/1074543818.db2.gz FGLKUTSDJGXSDQ-AVGNSLFASA-N 0 3 381.433 -2.490 20 0 GAADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(=O)N1CCOCC1 ZINC000595281250 1074543794 /nfs/dbraw/zinc/54/37/94/1074543794.db2.gz FGLKUTSDJGXSDQ-UPJWGTAASA-N 0 3 381.433 -2.490 20 0 GAADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(=O)N1CCOCC1 ZINC000595281252 1074543577 /nfs/dbraw/zinc/54/35/77/1074543577.db2.gz FGLKUTSDJGXSDQ-XQQFMLRXSA-N 0 3 381.433 -2.490 20 0 GAADHN COC(=O)CCN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000595281421 1074543644 /nfs/dbraw/zinc/54/36/44/1074543644.db2.gz LEHWCPCTJKFCTD-LLVKDONJSA-N 0 3 394.432 -1.647 20 0 GAADHN COC(=O)CCN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000595281423 1074543862 /nfs/dbraw/zinc/54/38/62/1074543862.db2.gz LEHWCPCTJKFCTD-NSHDSACASA-N 0 3 394.432 -1.647 20 0 GAADHN COC(=O)[C@H]1CSCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000595281528 1074543260 /nfs/dbraw/zinc/54/32/60/1074543260.db2.gz MIPCNYHGSYTKHV-SECBINFHSA-N 0 3 383.430 -1.378 20 0 GAADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000595281529 1074543230 /nfs/dbraw/zinc/54/32/30/1074543230.db2.gz MIPCNYHGSYTKHV-VIFPVBQESA-N 0 3 383.430 -1.378 20 0 GAADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)C2 ZINC000595281901 1074543251 /nfs/dbraw/zinc/54/32/51/1074543251.db2.gz KUGGOMTVFTVIKN-HZSPNIEDSA-N 0 3 388.424 -1.115 20 0 GAADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)C2 ZINC000595281902 1074543306 /nfs/dbraw/zinc/54/33/06/1074543306.db2.gz KUGGOMTVFTVIKN-MCIONIFRSA-N 0 3 388.424 -1.115 20 0 GAADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)C2 ZINC000595281903 1074543163 /nfs/dbraw/zinc/54/31/63/1074543163.db2.gz KUGGOMTVFTVIKN-MGPQQGTHSA-N 0 3 388.424 -1.115 20 0 GAADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)C2 ZINC000595281904 1074543137 /nfs/dbraw/zinc/54/31/37/1074543137.db2.gz KUGGOMTVFTVIKN-RDBSUJKOSA-N 0 3 388.424 -1.115 20 0 GAADHN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)CC2 ZINC000595282476 1074543599 /nfs/dbraw/zinc/54/35/99/1074543599.db2.gz OORXZTKNYBNDPX-GRYCIOLGSA-N 0 3 375.433 -1.958 20 0 GAADHN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)CC2 ZINC000595282477 1074543826 /nfs/dbraw/zinc/54/38/26/1074543826.db2.gz OORXZTKNYBNDPX-IJLUTSLNSA-N 0 3 375.433 -1.958 20 0 GAADHN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)CC2 ZINC000595282478 1074543779 /nfs/dbraw/zinc/54/37/79/1074543779.db2.gz OORXZTKNYBNDPX-UTUOFQBUSA-N 0 3 375.433 -1.958 20 0 GAADHN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)CC2 ZINC000595282479 1074543545 /nfs/dbraw/zinc/54/35/45/1074543545.db2.gz OORXZTKNYBNDPX-WOPDTQHZSA-N 0 3 375.433 -1.958 20 0 GAADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C12CCOCC2 ZINC000595282500 1074543787 /nfs/dbraw/zinc/54/37/87/1074543787.db2.gz PJVNTKDDTFXWMD-APIJFGDWSA-N 0 3 394.472 -1.153 20 0 GAADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C12CCOCC2 ZINC000595282501 1074543810 /nfs/dbraw/zinc/54/38/10/1074543810.db2.gz PJVNTKDDTFXWMD-CBBWQLFWSA-N 0 3 394.472 -1.153 20 0 GAADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C12CCOCC2 ZINC000595282502 1074543727 /nfs/dbraw/zinc/54/37/27/1074543727.db2.gz PJVNTKDDTFXWMD-LJISPDSOSA-N 0 3 394.472 -1.153 20 0 GAADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C12CCOCC2 ZINC000595282503 1074543760 /nfs/dbraw/zinc/54/37/60/1074543760.db2.gz PJVNTKDDTFXWMD-ZQDZILKHSA-N 0 3 394.472 -1.153 20 0 GAADHN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595284850 1074543843 /nfs/dbraw/zinc/54/38/43/1074543843.db2.gz WYPIZHFSUCANJN-FPMFFAJLSA-N 0 3 387.440 -1.351 20 0 GAADHN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595284854 1074543804 /nfs/dbraw/zinc/54/38/04/1074543804.db2.gz WYPIZHFSUCANJN-IACUBPJLSA-N 0 3 387.440 -1.351 20 0 GAADHN 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CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CCO2)[nH]1 ZINC000595980204 1074548840 /nfs/dbraw/zinc/54/88/40/1074548840.db2.gz HKQVOJNDGUAGNT-TUAOUCFPSA-N 0 3 391.432 -1.963 20 0 GAADHN CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CCO2)[nH]1 ZINC000595980205 1074548781 /nfs/dbraw/zinc/54/87/81/1074548781.db2.gz HKQVOJNDGUAGNT-UTUOFQBUSA-N 0 3 391.432 -1.963 20 0 GAADHN CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CCO2)[nH]1 ZINC000595980206 1074548627 /nfs/dbraw/zinc/54/86/27/1074548627.db2.gz HKQVOJNDGUAGNT-WOPDTQHZSA-N 0 3 391.432 -1.963 20 0 GAADHN Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)n1 ZINC000595980235 1074548660 /nfs/dbraw/zinc/54/86/60/1074548660.db2.gz IAOCLMXSZUQDPZ-KBPBESRZSA-N 0 3 387.444 -1.796 20 0 GAADHN Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)n1 ZINC000595980236 1074548585 /nfs/dbraw/zinc/54/85/85/1074548585.db2.gz IAOCLMXSZUQDPZ-KGLIPLIRSA-N 0 3 387.444 -1.796 20 0 GAADHN Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)n1 ZINC000595980237 1074548652 /nfs/dbraw/zinc/54/86/52/1074548652.db2.gz IAOCLMXSZUQDPZ-UONOGXRCSA-N 0 3 387.444 -1.796 20 0 GAADHN Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)n1 ZINC000595980238 1074548637 /nfs/dbraw/zinc/54/86/37/1074548637.db2.gz IAOCLMXSZUQDPZ-ZIAGYGMSSA-N 0 3 387.444 -1.796 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)CCN2C1=O ZINC000595980244 1074548688 /nfs/dbraw/zinc/54/86/88/1074548688.db2.gz ICGMMEJISPEZTN-FRRDWIJNSA-N 0 3 378.433 -2.181 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)CCN2C1=O ZINC000595980245 1074548882 /nfs/dbraw/zinc/54/88/82/1074548882.db2.gz ICGMMEJISPEZTN-JHJVBQTASA-N 0 3 378.433 -2.181 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)CCN2C1=O ZINC000595980246 1074548568 /nfs/dbraw/zinc/54/85/68/1074548568.db2.gz ICGMMEJISPEZTN-RWMBFGLXSA-N 0 3 378.433 -2.181 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)CCN2C1=O ZINC000595980247 1074548817 /nfs/dbraw/zinc/54/88/17/1074548817.db2.gz ICGMMEJISPEZTN-YNEHKIRRSA-N 0 3 378.433 -2.181 20 0 GAADHN C[C@H](N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1)C(F)(F)F ZINC000595980261 1074548095 /nfs/dbraw/zinc/54/80/95/1074548095.db2.gz IKYLGTPEQDOEEI-QJPTWQEYSA-N 0 3 391.394 -1.148 20 0 GAADHN C[C@H](N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1)C(F)(F)F ZINC000595980262 1074548193 /nfs/dbraw/zinc/54/81/93/1074548193.db2.gz IKYLGTPEQDOEEI-SDDRHHMPSA-N 0 3 391.394 -1.148 20 0 GAADHN C[C@H](N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1)C(F)(F)F ZINC000595980263 1074548278 /nfs/dbraw/zinc/54/82/78/1074548278.db2.gz IKYLGTPEQDOEEI-SRVKXCTJSA-N 0 3 391.394 -1.148 20 0 GAADHN C[C@H](N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1)C(F)(F)F ZINC000595980264 1074548240 /nfs/dbraw/zinc/54/82/40/1074548240.db2.gz IKYLGTPEQDOEEI-TUAOUCFPSA-N 0 3 391.394 -1.148 20 0 GAADHN CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H]1c1ncc[nH]1 ZINC000595980501 1074548283 /nfs/dbraw/zinc/54/82/83/1074548283.db2.gz IYKILBQLLXQNRA-JHJVBQTASA-N 0 3 375.433 -2.005 20 0 GAADHN CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H]1c1ncc[nH]1 ZINC000595980502 1074548122 /nfs/dbraw/zinc/54/81/22/1074548122.db2.gz IYKILBQLLXQNRA-UPJWGTAASA-N 0 3 375.433 -2.005 20 0 GAADHN CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H]1c1ncc[nH]1 ZINC000595980503 1074548078 /nfs/dbraw/zinc/54/80/78/1074548078.db2.gz IYKILBQLLXQNRA-XQQFMLRXSA-N 0 3 375.433 -2.005 20 0 GAADHN CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H]1c1ncc[nH]1 ZINC000595980504 1074548208 /nfs/dbraw/zinc/54/82/08/1074548208.db2.gz IYKILBQLLXQNRA-YNEHKIRRSA-N 0 3 375.433 -2.005 20 0 GAADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@@H](C)C1 ZINC000595980523 1074548231 /nfs/dbraw/zinc/54/82/31/1074548231.db2.gz JGIZQNLHZJXZOX-BFHYXJOUSA-N 0 3 395.460 -2.147 20 0 GAADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@H](C)C1 ZINC000595980524 1074548298 /nfs/dbraw/zinc/54/82/98/1074548298.db2.gz JGIZQNLHZJXZOX-HZSPNIEDSA-N 0 3 395.460 -2.147 20 0 GAADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@@H](C)C1 ZINC000595980525 1074548033 /nfs/dbraw/zinc/54/80/33/1074548033.db2.gz JGIZQNLHZJXZOX-MELADBBJSA-N 0 3 395.460 -2.147 20 0 GAADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@H](C)C1 ZINC000595980526 1074548257 /nfs/dbraw/zinc/54/82/57/1074548257.db2.gz JGIZQNLHZJXZOX-MGPQQGTHSA-N 0 3 395.460 -2.147 20 0 GAADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCN1CC(F)F ZINC000595980550 1074547996 /nfs/dbraw/zinc/54/79/96/1074547996.db2.gz JSPTZYVPLHYNCF-AGIUHOORSA-N 0 3 387.431 -1.055 20 0 GAADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCN1CC(F)F ZINC000595980551 1074548144 /nfs/dbraw/zinc/54/81/44/1074548144.db2.gz JSPTZYVPLHYNCF-FRRDWIJNSA-N 0 3 387.431 -1.055 20 0 GAADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCN1CC(F)F ZINC000595980552 1074548159 /nfs/dbraw/zinc/54/81/59/1074548159.db2.gz JSPTZYVPLHYNCF-JHJVBQTASA-N 0 3 387.431 -1.055 20 0 GAADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCN1CC(F)F ZINC000595980553 1074548266 /nfs/dbraw/zinc/54/82/66/1074548266.db2.gz JSPTZYVPLHYNCF-UPJWGTAASA-N 0 3 387.431 -1.055 20 0 GAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](CN4CCOCC4)C3)CCN2C1=O ZINC000595980828 1074550479 /nfs/dbraw/zinc/55/04/79/1074550479.db2.gz LIUXLIMTXDVWLT-BZUAXINKSA-N 0 3 393.488 -1.672 20 0 GAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](CN4CCOCC4)C3)CCN2C1=O ZINC000595980829 1074550497 /nfs/dbraw/zinc/55/04/97/1074550497.db2.gz LIUXLIMTXDVWLT-OAGGEKHMSA-N 0 3 393.488 -1.672 20 0 GAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H](CN4CCOCC4)C3)CCN2C1=O ZINC000595980830 1074550438 /nfs/dbraw/zinc/55/04/38/1074550438.db2.gz LIUXLIMTXDVWLT-OWCLPIDISA-N 0 3 393.488 -1.672 20 0 GAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H](CN4CCOCC4)C3)CCN2C1=O ZINC000595980831 1074550460 /nfs/dbraw/zinc/55/04/60/1074550460.db2.gz LIUXLIMTXDVWLT-PMPSAXMXSA-N 0 3 393.488 -1.672 20 0 GAADHN Nc1nsc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)n1 ZINC000595980973 1074891186 /nfs/dbraw/zinc/89/11/86/1074891186.db2.gz MIASUGGAEYUWSD-NXEZZACHSA-N 0 3 394.461 -2.461 20 0 GAADHN Nc1nsc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)n1 ZINC000595980974 1074891299 /nfs/dbraw/zinc/89/12/99/1074891299.db2.gz MIASUGGAEYUWSD-UWVGGRQHSA-N 0 3 394.461 -2.461 20 0 GAADHN Nc1nsc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)n1 ZINC000595980975 1074891304 /nfs/dbraw/zinc/89/13/04/1074891304.db2.gz MIASUGGAEYUWSD-VHSXEESVSA-N 0 3 394.461 -2.461 20 0 GAADHN Nc1nsc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)n1 ZINC000595980976 1074891339 /nfs/dbraw/zinc/89/13/39/1074891339.db2.gz MIASUGGAEYUWSD-ZJUUUORDSA-N 0 3 394.461 -2.461 20 0 GAADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980984 1074550665 /nfs/dbraw/zinc/55/06/65/1074550665.db2.gz MLLHVPFKCOCGAN-HZSPNIEDSA-N 0 3 381.477 -1.940 20 0 GAADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980985 1074549992 /nfs/dbraw/zinc/54/99/92/1074549992.db2.gz MLLHVPFKCOCGAN-MCIONIFRSA-N 0 3 381.477 -1.940 20 0 GAADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980986 1074549856 /nfs/dbraw/zinc/54/98/56/1074549856.db2.gz MLLHVPFKCOCGAN-MGPQQGTHSA-N 0 3 381.477 -1.940 20 0 GAADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980987 1074549807 /nfs/dbraw/zinc/54/98/07/1074549807.db2.gz MLLHVPFKCOCGAN-RDBSUJKOSA-N 0 3 381.477 -1.940 20 0 GAADHN COCCN1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1=O ZINC000595981018 1074549771 /nfs/dbraw/zinc/54/97/71/1074549771.db2.gz MUAFFGZBQGGWNK-CHWSQXEVSA-N 0 3 381.433 -2.536 20 0 GAADHN COCCN1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1=O ZINC000595981019 1074550009 /nfs/dbraw/zinc/55/00/09/1074550009.db2.gz MUAFFGZBQGGWNK-OLZOCXBDSA-N 0 3 381.433 -2.536 20 0 GAADHN COCCN1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1=O ZINC000595981020 1074549956 /nfs/dbraw/zinc/54/99/56/1074549956.db2.gz MUAFFGZBQGGWNK-QWHCGFSZSA-N 0 3 381.433 -2.536 20 0 GAADHN COCCN1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1=O ZINC000595981021 1074550057 /nfs/dbraw/zinc/55/00/57/1074550057.db2.gz MUAFFGZBQGGWNK-STQMWFEESA-N 0 3 381.433 -2.536 20 0 GAADHN Cn1ccnc1[C@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCN1C ZINC000595981045 1074549871 /nfs/dbraw/zinc/54/98/71/1074549871.db2.gz NKULFYDWLQPZQK-BFHYXJOUSA-N 0 3 389.460 -1.994 20 0 GAADHN Cn1ccnc1[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCN1C ZINC000595981046 1074549827 /nfs/dbraw/zinc/54/98/27/1074549827.db2.gz NKULFYDWLQPZQK-MCIONIFRSA-N 0 3 389.460 -1.994 20 0 GAADHN 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GAADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O)N1CCCC1 ZINC000969508111 1073422631 /nfs/dbraw/zinc/42/26/31/1073422631.db2.gz CHHYHVPGEAACNJ-ZOBORPQBSA-N 0 3 382.461 -1.418 20 0 GAADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1)N1CCCC1 ZINC000970622356 1073486093 /nfs/dbraw/zinc/48/60/93/1073486093.db2.gz SVFWEYBLVXXHRT-ZOBORPQBSA-N 0 3 382.461 -1.418 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@H]3C[C@H]3C(N)=O)n2)CC[N@H+]1C ZINC000984133551 1074200649 /nfs/dbraw/zinc/20/06/49/1074200649.db2.gz HHWYKVITPISPPL-JHEVNIALSA-N 0 3 390.444 -1.124 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@H]3C[C@H]3C(N)=O)n2)CC[N@@H+]1C ZINC000984133551 1074200642 /nfs/dbraw/zinc/20/06/42/1074200642.db2.gz HHWYKVITPISPPL-JHEVNIALSA-N 0 3 390.444 -1.124 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCc2nc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc(=O)[n-]2)CC[N@H+]1C ZINC000984140884 1074201796 /nfs/dbraw/zinc/20/17/96/1074201796.db2.gz RWUJSJBNAMQGII-JHEVNIALSA-N 0 3 390.444 -1.124 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCc2nc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc(=O)[n-]2)CC[N@@H+]1C ZINC000984140884 1074201789 /nfs/dbraw/zinc/20/17/89/1074201789.db2.gz RWUJSJBNAMQGII-JHEVNIALSA-N 0 3 390.444 -1.124 20 0 GAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990916591 1074429194 /nfs/dbraw/zinc/42/91/94/1074429194.db2.gz RZMMFVJZBJZYCD-WVWOOGAGSA-N 0 3 386.416 -1.458 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](n3ccnn3)C2)O1 ZINC000990922248 1074429945 /nfs/dbraw/zinc/42/99/45/1074429945.db2.gz DRHKDADALRCTMA-FVCCEPFGSA-N 0 3 389.420 -1.703 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990922248 1074429943 /nfs/dbraw/zinc/42/99/43/1074429943.db2.gz DRHKDADALRCTMA-FVCCEPFGSA-N 0 3 389.420 -1.703 20 0 GAADHN CN(C)C1(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)CCC1 ZINC000990960396 1074432860 /nfs/dbraw/zinc/43/28/60/1074432860.db2.gz HNKHOXBQIPSSPM-RQJABVFESA-N 0 3 389.460 -1.248 20 0 GAADHN CN(CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1)C1CCC1 ZINC000990961065 1074433985 /nfs/dbraw/zinc/43/39/85/1074433985.db2.gz SCJMDJIADZYIBV-BARDWOONSA-N 0 3 389.460 -1.248 20 0 GAADHN Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC000993581097 1074638896 /nfs/dbraw/zinc/63/88/96/1074638896.db2.gz OXNRYEZBRYXWOC-UKTARXLSSA-N 0 3 385.428 -1.082 20 0 GAADHN Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993655076 1074642283 /nfs/dbraw/zinc/64/22/83/1074642283.db2.gz UINXJDJEFXUJFK-XJFOESAGSA-N 0 3 385.428 -1.082 20 0 GAADHN CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C(N)=O)[C@H]3CS(=O)(=O)C[C@H]32)CCN1C ZINC000995444719 1074718461 /nfs/dbraw/zinc/71/84/61/1074718461.db2.gz QUWYWSCNBGGZAL-LOWDOPEQSA-N 0 3 386.474 -1.962 20 0 GAADHN CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)CCN1C ZINC000995456370 1074720793 /nfs/dbraw/zinc/72/07/93/1074720793.db2.gz QUWYWSCNBGGZAL-QNWHQSFQSA-N 0 3 386.474 -1.962 20 0 GAADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC000997027557 1074749861 /nfs/dbraw/zinc/74/98/61/1074749861.db2.gz BYJYVCQEAONHTJ-MROQNXINSA-N 0 3 375.433 -1.281 20 0 GAADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC000997027558 1074749884 /nfs/dbraw/zinc/74/98/84/1074749884.db2.gz BYJYVCQEAONHTJ-VOAKCMCISA-N 0 3 375.433 -1.281 20 0 GAADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2)N(C)C ZINC000997027561 1074750059 /nfs/dbraw/zinc/75/00/59/1074750059.db2.gz CEHVQEHOBFTJKZ-VOAKCMCISA-N 0 3 377.449 -1.035 20 0 GAADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2)N(C)C ZINC000997027562 1074749840 /nfs/dbraw/zinc/74/98/40/1074749840.db2.gz CEHVQEHOBFTJKZ-XQHKEYJVSA-N 0 3 377.449 -1.035 20 0 GAADHN NC(=O)c1ncn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)n1 ZINC000997027580 1074749826 /nfs/dbraw/zinc/74/98/26/1074749826.db2.gz DCSKPFMLZFUECL-AGIUHOORSA-N 0 3 375.433 -1.279 20 0 GAADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2)N(C)C ZINC000997361804 1074754942 /nfs/dbraw/zinc/75/49/42/1074754942.db2.gz BKSGJXIEIRZIFM-WVWOOGAGSA-N 0 3 377.449 -1.035 20 0 GAADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2)N(C)C ZINC000997361808 1074754851 /nfs/dbraw/zinc/75/48/51/1074754851.db2.gz BKSGJXIEIRZIFM-XWUBHJNHSA-N 0 3 377.449 -1.035 20 0 GAADHN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)nn1 ZINC000997362204 1074754875 /nfs/dbraw/zinc/75/48/75/1074754875.db2.gz DFOQFBONBROXQX-DYEKYZERSA-N 0 3 375.433 -1.279 20 0 GAADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC000997363867 1074755292 /nfs/dbraw/zinc/75/52/92/1074755292.db2.gz KTYVLRHFYATJAQ-UVLXDEKHSA-N 0 3 375.433 -1.281 20 0 GAADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC000997363869 1074755186 /nfs/dbraw/zinc/75/51/86/1074755186.db2.gz KTYVLRHFYATJAQ-XWUBHJNHSA-N 0 3 375.433 -1.281 20 0 GAADHN CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC(NCC(=O)N2CCNC(=O)C2)C1 ZINC000999143013 1074778699 /nfs/dbraw/zinc/77/86/99/1074778699.db2.gz JSGSJCXMHUGLCQ-PAKLBNLPSA-N 0 3 376.457 -1.053 20 0 GAADHN O=C(CN[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC000999750862 1074784180 /nfs/dbraw/zinc/78/41/80/1074784180.db2.gz LSCQYJFCWPFMEB-LNORHHCFSA-N 0 3 376.457 -1.051 20 0 GAADHN O=C(CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC000999750863 1074784404 /nfs/dbraw/zinc/78/44/04/1074784404.db2.gz LSCQYJFCWPFMEB-YQBONMRBSA-N 0 3 376.457 -1.051 20 0 GAADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001003156449 1074806481 /nfs/dbraw/zinc/80/64/81/1074806481.db2.gz BYJYVCQEAONHTJ-FVCCEPFGSA-N 0 3 375.433 -1.281 20 0 GAADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001003156450 1074806431 /nfs/dbraw/zinc/80/64/31/1074806431.db2.gz BYJYVCQEAONHTJ-NDBYEHHHSA-N 0 3 375.433 -1.281 20 0 GAADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2)N(C)C ZINC001003158865 1074806946 /nfs/dbraw/zinc/80/69/46/1074806946.db2.gz CEHVQEHOBFTJKZ-LPWJVIDDSA-N 0 3 377.449 -1.035 20 0 GAADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2)N(C)C ZINC001003158866 1074807035 /nfs/dbraw/zinc/80/70/35/1074807035.db2.gz CEHVQEHOBFTJKZ-NDBYEHHHSA-N 0 3 377.449 -1.035 20 0 GAADHN NC(=O)c1ncn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)n1 ZINC001003158932 1074807019 /nfs/dbraw/zinc/80/70/19/1074807019.db2.gz DCSKPFMLZFUECL-UPJWGTAASA-N 0 3 375.433 -1.279 20 0 GAADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2)N(C)C ZINC001003367031 1074811453 /nfs/dbraw/zinc/81/14/53/1074811453.db2.gz BKSGJXIEIRZIFM-OXHZDVMGSA-N 0 3 377.449 -1.035 20 0 GAADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2)N(C)C ZINC001003367033 1074811436 /nfs/dbraw/zinc/81/14/36/1074811436.db2.gz BKSGJXIEIRZIFM-RFHZTLPTSA-N 0 3 377.449 -1.035 20 0 GAADHN NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)nn1 ZINC001003367415 1074811417 /nfs/dbraw/zinc/81/14/17/1074811417.db2.gz DFOQFBONBROXQX-BZPMIXESSA-N 0 3 375.433 -1.279 20 0 GAADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001003367933 1074811824 /nfs/dbraw/zinc/81/18/24/1074811824.db2.gz KTYVLRHFYATJAQ-MHDGFBEUSA-N 0 3 375.433 -1.281 20 0 GAADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001003367936 1074811864 /nfs/dbraw/zinc/81/18/64/1074811864.db2.gz KTYVLRHFYATJAQ-RFHZTLPTSA-N 0 3 375.433 -1.281 20 0 GAADHN O=C(CN[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001020423220 1073403926 /nfs/dbraw/zinc/40/39/26/1073403926.db2.gz WIXNVLNIQUPDBP-GGOFEBJYSA-N 0 3 380.445 -1.767 20 0 GAADHN O=C(CN[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001022476395 1073580501 /nfs/dbraw/zinc/58/05/01/1073580501.db2.gz WIXNVLNIQUPDBP-JEJJNBGPSA-N 0 3 380.445 -1.767 20 0 GAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O ZINC001024955719 1073763855 /nfs/dbraw/zinc/76/38/55/1073763855.db2.gz GBLSWVIWOIDYKO-NGFQHRJXSA-N 0 3 393.444 -1.238 20 0 GAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1O ZINC001024958827 1073764552 /nfs/dbraw/zinc/76/45/52/1073764552.db2.gz ZTTNBEKCXLHEGL-APIJFGDWSA-N 0 3 393.444 -1.416 20 0 GAADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O)N1CCCC1 ZINC001025000210 1073767913 /nfs/dbraw/zinc/76/79/13/1073767913.db2.gz CHHYHVPGEAACNJ-YIYPIFLZSA-N 0 3 382.461 -1.418 20 0 GAADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)N1CCCC1 ZINC001025678134 1073830095 /nfs/dbraw/zinc/83/00/95/1073830095.db2.gz SVFWEYBLVXXHRT-YIYPIFLZSA-N 0 3 382.461 -1.418 20 0 GAADHN O=C(N[C@@H]1[C@H]2CN(C[C@H](O)CN3C(=O)CCC3=O)C[C@H]21)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001025909864 1073862688 /nfs/dbraw/zinc/86/26/88/1073862688.db2.gz BAIUQTQOZIOHHS-LNJCNPFESA-N 0 3 389.452 -1.034 20 0 GAADHN O=C(N[C@@H]1[C@H]2CN(C[C@@H](O)CN3C(=O)CCC3=O)C[C@H]21)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001025909865 1073862617 /nfs/dbraw/zinc/86/26/17/1073862617.db2.gz BAIUQTQOZIOHHS-LXONRRGESA-N 0 3 389.452 -1.034 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)O1 ZINC001043675575 1073408793 /nfs/dbraw/zinc/40/87/93/1073408793.db2.gz VAKPLGSHQCKFKJ-RGCMKSIDSA-N 0 3 377.445 -1.078 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)O1 ZINC001043677767 1073408941 /nfs/dbraw/zinc/40/89/41/1073408941.db2.gz AVVXBCNMDASAFX-RGCMKSIDSA-N 0 3 377.445 -1.078 20 0 GAADHN Cc1nc(CN2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H](n3ccnn3)C2)n[nH]1 ZINC001069958432 1073522624 /nfs/dbraw/zinc/52/26/24/1073522624.db2.gz GONLRFXGNFKVJI-REBRKWNGSA-N 0 3 389.464 -1.035 20 0 GAADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NCCn3cncn3)[C@@H](n3ccnn3)C2)C1 ZINC001070197030 1073531158 /nfs/dbraw/zinc/53/11/58/1073531158.db2.gz PLKBYMVWGRUAKL-TUVASFSCSA-N 0 3 387.448 -1.174 20 0 GAADHN O=C(N1C[C@@H](NCCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2 ZINC001070199051 1073531243 /nfs/dbraw/zinc/53/12/43/1073531243.db2.gz DMCCVAYYXPWVBC-LKQDWFRTSA-N 0 3 389.416 -1.792 20 0 GAADHN O=C(N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2 ZINC001070199107 1073530885 /nfs/dbraw/zinc/53/08/85/1073530885.db2.gz HDTAZSRLKIQELK-LOUJCGABSA-N 0 3 375.433 -1.319 20 0 GAADHN O=C(N1C[C@@H](NCCN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2 ZINC001070199382 1073531359 /nfs/dbraw/zinc/53/13/59/1073531359.db2.gz WLZVONXAHMSTNL-AHXJXLJNSA-N 0 3 388.428 -1.195 20 0 GAADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070211567 1073532134 /nfs/dbraw/zinc/53/21/34/1073532134.db2.gz OWHBGJVJBFLSQL-XGUBFFRZSA-N 0 3 393.448 -1.551 20 0 GAADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070211569 1073532110 /nfs/dbraw/zinc/53/21/10/1073532110.db2.gz OWUCALBUGFWLKX-XGUBFFRZSA-N 0 3 376.421 -1.285 20 0 GAADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]2n2ccnn2)n[nH]1 ZINC001070217520 1073531865 /nfs/dbraw/zinc/53/18/65/1073531865.db2.gz GINQBUPXQZNYKN-REBRKWNGSA-N 0 3 389.464 -1.035 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NCCn3cncn3)[C@@H](n3ccnn3)C2)O1 ZINC001070217530 1073531706 /nfs/dbraw/zinc/53/17/06/1073531706.db2.gz HGZOFMQYBOUXKN-LVQVYYBASA-N 0 3 389.464 -1.370 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001070217553 1073531793 /nfs/dbraw/zinc/53/17/93/1073531793.db2.gz HZMZMXSZTGLWNA-LVQVYYBASA-N 0 3 391.476 -1.429 20 0 GAADHN O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070218496 1073532736 /nfs/dbraw/zinc/53/27/36/1073532736.db2.gz KCHISRVKMLJMSU-KXNHARMFSA-N 0 3 379.339 -1.042 20 0 GAADHN O=C([C@H]1CC[C@@H](C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)O1)N1CCCC1 ZINC001070272238 1073533572 /nfs/dbraw/zinc/53/35/72/1073533572.db2.gz CPOZUGJKOZIMMO-QXSJWSMHSA-N 0 3 392.460 -1.218 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCn3cncn3)[C@@H](n3ccnn3)C2)O1 ZINC001070273974 1073533277 /nfs/dbraw/zinc/53/32/77/1073533277.db2.gz MRDNKWLYOIGPCM-ZOBORPQBSA-N 0 3 389.420 -2.056 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCn3cccn3)[C@@H](n3ccnn3)C2)O1 ZINC001070274115 1073534063 /nfs/dbraw/zinc/53/40/63/1073534063.db2.gz SEGIAGRHPRVRFK-CBBWQLFWSA-N 0 3 388.432 -1.451 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070275216 1073533900 /nfs/dbraw/zinc/53/39/00/1073533900.db2.gz AHPVPYWQSKKJMH-RQJABVFESA-N 0 3 375.433 -1.637 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070275271 1073533873 /nfs/dbraw/zinc/53/38/73/1073533873.db2.gz DGJHCMMLLGAVEY-KXNHARMFSA-N 0 3 390.404 -2.707 20 0 GAADHN Cc1nc(C)n(CCN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC001070275318 1073534749 /nfs/dbraw/zinc/53/47/49/1073534749.db2.gz GLKOHMKWBMTEHK-BARDWOONSA-N 0 3 387.448 -1.350 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCCN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070275337 1073534610 /nfs/dbraw/zinc/53/46/10/1073534610.db2.gz HCBMGCBNGHGNNQ-XQHKEYJVSA-N 0 3 389.416 -2.110 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070275355 1073534532 /nfs/dbraw/zinc/53/45/32/1073534532.db2.gz IACHYGLKSFRHLB-XQHKEYJVSA-N 0 3 376.421 -2.234 20 0 GAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070276472 1073535469 /nfs/dbraw/zinc/53/54/69/1073535469.db2.gz ILGIDMZSGAKIEP-BARDWOONSA-N 0 3 387.448 -1.364 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCn3cncn3)[C@@H](n3ccnn3)C2)C1 ZINC001070276587 1073535627 /nfs/dbraw/zinc/53/56/27/1073535627.db2.gz ODWNKHAIGINFHY-BARDWOONSA-N 0 3 387.448 -1.187 20 0 GAADHN Cn1ccc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cc1=O ZINC001070276760 1073535427 /nfs/dbraw/zinc/53/54/27/1073535427.db2.gz YVHAAAJTJOFXLO-BARDWOONSA-N 0 3 385.428 -1.360 20 0 GAADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070278195 1073536103 /nfs/dbraw/zinc/53/61/03/1073536103.db2.gz VQQYUOMQRLRKBR-CXTNEJHOSA-N 0 3 391.432 -1.404 20 0 GAADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCN3C(=O)CNC3=O)[C@@H](n3ccnn3)C2)O1 ZINC001070279190 1073536055 /nfs/dbraw/zinc/53/60/55/1073536055.db2.gz OPCRBKLHHJGNSL-YIYPIFLZSA-N 0 3 391.432 -1.261 20 0 GAADHN O=C([C@@H]1OCC[C@@H]1Cn1cccn1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070293946 1073536345 /nfs/dbraw/zinc/53/63/45/1073536345.db2.gz COQORKLNWWNRFP-LVQVYYBASA-N 0 3 375.433 -1.086 20 0 GAADHN Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2NCCN2CCNC2=O)c1 ZINC001070534989 1073536735 /nfs/dbraw/zinc/53/67/35/1073536735.db2.gz YHDRSUJQOKDUTF-UKTARXLSSA-N 0 3 389.460 -1.549 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1n[nH]c([C@H]2CC[C@@H](CNCc3cnon3)O2)n1 ZINC001070575524 1073537285 /nfs/dbraw/zinc/53/72/85/1073537285.db2.gz ABJWYVJRJMJXLQ-WHOHXGKFSA-N 0 3 390.404 -1.065 20 0 GAADHN Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCCN1CCNC1=O ZINC001070691771 1073537867 /nfs/dbraw/zinc/53/78/67/1073537867.db2.gz IUCWDMALSKHTCB-XJFOESAGSA-N 0 3 389.460 -1.549 20 0 GAADHN C[C@H]1[C@@H](NCC(=O)N2CCNC(=O)C2)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001074753120 1073543591 /nfs/dbraw/zinc/54/35/91/1073543591.db2.gz CNQIXAYKQLDMMN-ZRGUGPCDSA-N 0 3 376.457 -1.053 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(CCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC001075940559 1074333761 /nfs/dbraw/zinc/33/37/61/1074333761.db2.gz WAMMXECIPRYEJC-LXTVHRRPSA-N 0 3 379.461 -1.210 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(CCCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC001076236925 1074421719 /nfs/dbraw/zinc/42/17/19/1074421719.db2.gz JQXPYHBZSXBKPO-RFQIPJPRSA-N 0 3 393.444 -1.506 20 0 GAADHN O=C(N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001077170289 1074442426 /nfs/dbraw/zinc/44/24/26/1074442426.db2.gz WJVPPBUSEUBOCO-HBJVGIJOSA-N 0 3 376.417 -1.384 20 0 GAADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001080436127 1074894258 /nfs/dbraw/zinc/89/42/58/1074894258.db2.gz IQYVTOJDSMVFPB-FVCCEPFGSA-N 0 3 381.433 -1.602 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082517405 1074898177 /nfs/dbraw/zinc/89/81/77/1074898177.db2.gz LRMNWCZJJWYLMB-AAVRWANBSA-N 0 3 379.461 -1.704 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082517778 1074898120 /nfs/dbraw/zinc/89/81/20/1074898120.db2.gz DXJPTPPAVHYBSU-QHSBEEBCSA-N 0 3 391.472 -1.065 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082569210 1074898011 /nfs/dbraw/zinc/89/80/11/1074898011.db2.gz SLIRPONZYAOSPG-FIRUKDTASA-N 0 3 380.445 -1.176 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082589861 1074898224 /nfs/dbraw/zinc/89/82/24/1074898224.db2.gz QXDZVUHIOQGTQB-RRCSTGOVSA-N 0 3 393.488 -1.260 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082590459 1074898151 /nfs/dbraw/zinc/89/81/51/1074898151.db2.gz XNHJYTOVNFYDRI-KBUPBQIOSA-N 0 3 381.477 -1.900 20 0 GAADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082652201 1074898096 /nfs/dbraw/zinc/89/80/96/1074898096.db2.gz KPMKCMZKBSPMDC-GOACYYOKSA-N 0 3 376.457 -1.195 20 0 GAADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082657592 1074898036 /nfs/dbraw/zinc/89/80/36/1074898036.db2.gz HQFFRZWADMPDHE-KBUPBQIOSA-N 0 3 388.472 -1.082 20 0 GAADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082657878 1074898065 /nfs/dbraw/zinc/89/80/65/1074898065.db2.gz ABOXELMPBKBRIM-SUKQMUEJSA-N 0 3 394.472 -1.567 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCc1cc(=O)n2nccc2[nH]1 ZINC001082738706 1074898164 /nfs/dbraw/zinc/89/81/64/1074898164.db2.gz ALQDWAXFLGVCEE-RUZUBIRVSA-N 0 3 388.428 -1.008 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082738850 1074898052 /nfs/dbraw/zinc/89/80/52/1074898052.db2.gz JDTGOVANPCJKKJ-FVCCEPFGSA-N 0 3 381.433 -2.586 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082739081 1074898087 /nfs/dbraw/zinc/89/80/87/1074898087.db2.gz XHGWEKNQTPOKEK-RUZUBIRVSA-N 0 3 393.444 -1.947 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082743798 1074898565 /nfs/dbraw/zinc/89/85/65/1074898565.db2.gz CEPZXLDSBUOYGD-GUIRCDHDSA-N 0 3 391.472 -1.078 20 0 GAADHN CNC(=O)C1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)CC1 ZINC001082745214 1074898643 /nfs/dbraw/zinc/89/86/43/1074898643.db2.gz KXBDSLZSQFQKFY-REBRKWNGSA-N 0 3 393.488 -1.471 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)N1CCC(C(N)=O)CC1 ZINC001082745350 1074898636 /nfs/dbraw/zinc/89/86/36/1074898636.db2.gz SBZPPDVOKUPTBO-RUZUBIRVSA-N 0 3 379.461 -1.732 20 0 GAADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)CC1 ZINC001082745411 1074898534 /nfs/dbraw/zinc/89/85/34/1074898534.db2.gz WTQSGXQWYMOIBQ-REBRKWNGSA-N 0 3 379.461 -1.765 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082746101 1074898585 /nfs/dbraw/zinc/89/85/85/1074898585.db2.gz JOBAREAHMNSSFD-YIYPIFLZSA-N 0 3 379.461 -1.894 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082746319 1074898590 /nfs/dbraw/zinc/89/85/90/1074898590.db2.gz YCPWMVKZBWVQPK-REBRKWNGSA-N 0 3 391.472 -1.255 20 0 GAADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082746400 1074898108 /nfs/dbraw/zinc/89/81/08/1074898108.db2.gz DLBGICACWXOVNR-YIYPIFLZSA-N 0 3 379.461 -1.717 20 0 GAADHN 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CN(C)CCN1CCN(C(=O)C(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)CC1=O ZINC001118833404 1073791691 /nfs/dbraw/zinc/79/16/91/1073791691.db2.gz KBILEVQDGUNNDS-HDICACEKSA-N 0 3 384.477 -1.942 20 0 GAADHN CN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001118842576 1073793158 /nfs/dbraw/zinc/79/31/58/1073793158.db2.gz MKHQALNZQIHFRO-HZSPNIEDSA-N 0 3 379.461 -1.526 20 0 GAADHN CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001118842577 1073793217 /nfs/dbraw/zinc/79/32/17/1073793217.db2.gz MKHQALNZQIHFRO-MJBXVCDLSA-N 0 3 379.461 -1.526 20 0 GAADHN Cn1c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001118861837 1073794336 /nfs/dbraw/zinc/79/43/36/1073794336.db2.gz QBGOWSDGKPTPNM-NEPJUHHUSA-N 0 3 375.429 -1.143 20 0 GAADHN Cn1c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001118861841 1073794173 /nfs/dbraw/zinc/79/41/73/1073794173.db2.gz QBGOWSDGKPTPNM-NWDGAFQWSA-N 0 3 375.429 -1.143 20 0 GAADHN Cn1c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001118861844 1073794259 /nfs/dbraw/zinc/79/42/59/1073794259.db2.gz QBGOWSDGKPTPNM-RYUDHWBXSA-N 0 3 375.429 -1.143 20 0 GAADHN Cn1c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001118861845 1073794350 /nfs/dbraw/zinc/79/43/50/1073794350.db2.gz QBGOWSDGKPTPNM-VXGBXAGGSA-N 0 3 375.429 -1.143 20 0 GAADHN CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC001118880443 1073797068 /nfs/dbraw/zinc/79/70/68/1073797068.db2.gz JTARGBBLWRQLCH-AWEZNQCLSA-N 0 3 392.522 -1.189 20 0 GAADHN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC001118880444 1073796950 /nfs/dbraw/zinc/79/69/50/1073796950.db2.gz JTARGBBLWRQLCH-CQSZACIVSA-N 0 3 392.522 -1.189 20 0 GAADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@@H](C)O1 ZINC001118883491 1073798027 /nfs/dbraw/zinc/79/80/27/1073798027.db2.gz YDWDYTUJQCWAFB-CABCVRRESA-N 0 3 384.477 -1.129 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CC1=O ZINC001118887139 1073799167 /nfs/dbraw/zinc/79/91/67/1073799167.db2.gz PSRGYTYLHUFHRG-GFCCVEGCSA-N 0 3 377.449 -1.049 20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CC1=O ZINC001118887140 1073799269 /nfs/dbraw/zinc/79/92/69/1073799269.db2.gz PSRGYTYLHUFHRG-LBPRGKRZSA-N 0 3 377.449 -1.049 20 0 GAADHN CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)CC1 ZINC001118897975 1073802428 /nfs/dbraw/zinc/80/24/28/1073802428.db2.gz ICSGQJUJDQORQT-CABCVRRESA-N 0 3 379.461 -1.654 20 0 GAADHN CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC001118898489 1073802506 /nfs/dbraw/zinc/80/25/06/1073802506.db2.gz MVYXETPBSZTCIM-UHFFFAOYSA-N 0 3 381.477 -1.264 20 0 GAADHN CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC001118899410 1073802909 /nfs/dbraw/zinc/80/29/09/1073802909.db2.gz WCNJGMAARLQSHZ-HNNXBMFYSA-N 0 3 381.477 -1.264 20 0 GAADHN CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC001118899411 1073802995 /nfs/dbraw/zinc/80/29/95/1073802995.db2.gz 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-1.311 20 0 GAADHN O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001118921574 1073806892 /nfs/dbraw/zinc/80/68/92/1073806892.db2.gz XUSUMMHKZJHRFL-KBUPBQIOSA-N 0 3 385.486 -1.311 20 0 GAADHN O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001118921575 1073806618 /nfs/dbraw/zinc/80/66/18/1073806618.db2.gz XUSUMMHKZJHRFL-LXTVHRRPSA-N 0 3 385.486 -1.311 20 0 GAADHN O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001118921576 1073806791 /nfs/dbraw/zinc/80/67/91/1073806791.db2.gz XUSUMMHKZJHRFL-TUVASFSCSA-N 0 3 385.486 -1.311 20 0 GAADHN CCN1CCN(CCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001118935622 1073808647 /nfs/dbraw/zinc/80/86/47/1073808647.db2.gz QHHJCRODKAWEBY-AWEZNQCLSA-N 0 3 382.552 -1.175 20 0 GAADHN CCN1CCN(CCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001118935623 1073808818 /nfs/dbraw/zinc/80/88/18/1073808818.db2.gz QHHJCRODKAWEBY-CQSZACIVSA-N 0 3 382.552 -1.175 20 0 GAADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC001118956275 1073809812 /nfs/dbraw/zinc/80/98/12/1073809812.db2.gz YUPRYOPGIMUQPJ-KBXCAEBGSA-N 0 3 382.461 -1.329 20 0 GAADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC001118956276 1073809725 /nfs/dbraw/zinc/80/97/25/1073809725.db2.gz YUPRYOPGIMUQPJ-KDOFPFPSSA-N 0 3 382.461 -1.329 20 0 GAADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC001118956277 1073809678 /nfs/dbraw/zinc/80/96/78/1073809678.db2.gz YUPRYOPGIMUQPJ-KSSFIOAISA-N 0 3 382.461 -1.329 20 0 GAADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC001118956279 1073809559 /nfs/dbraw/zinc/80/95/59/1073809559.db2.gz YUPRYOPGIMUQPJ-RDTXWAMCSA-N 0 3 382.461 -1.329 20 0 GAADHN COCCN(C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C1CCOCC1 ZINC001118969297 1073811377 /nfs/dbraw/zinc/81/13/77/1073811377.db2.gz QXNPCYWDPUKYGB-UHFFFAOYSA-N 0 3 384.477 -1.127 20 0 GAADHN COCCN1CCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)CC1=O ZINC001119018505 1073813947 /nfs/dbraw/zinc/81/39/47/1073813947.db2.gz NTPMJFGKCQKQNY-UHFFFAOYSA-N 0 3 395.504 -1.458 20 0 GAADHN CN(CCN1CCCCC1)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001119020654 1073813883 /nfs/dbraw/zinc/81/38/83/1073813883.db2.gz IVJQEHHIJVNVGZ-GOSISDBHSA-N 0 3 382.461 -1.325 20 0 GAADHN CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001119020660 1073814068 /nfs/dbraw/zinc/81/40/68/1073814068.db2.gz IVJQEHHIJVNVGZ-SFHVURJKSA-N 0 3 382.461 -1.325 20 0 GAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCn2cncn2)CC1 ZINC001119068748 1073814981 /nfs/dbraw/zinc/81/49/81/1073814981.db2.gz DJDHDMFJPVWNDK-AWEZNQCLSA-N 0 3 377.449 -1.451 20 0 GAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCn2cncn2)CC1 ZINC001119068749 1073815090 /nfs/dbraw/zinc/81/50/90/1073815090.db2.gz DJDHDMFJPVWNDK-CQSZACIVSA-N 0 3 377.449 -1.451 20 0 GAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC(=O)N(CC)CC)CC1 ZINC001119071103 1073815605 /nfs/dbraw/zinc/81/56/05/1073815605.db2.gz WBXPXANHVLLSNS-UHFFFAOYSA-N 0 3 383.493 -1.016 20 0 GAADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001119148374 1073819760 /nfs/dbraw/zinc/81/97/60/1073819760.db2.gz NCGDFPIAJTTYGQ-GOSISDBHSA-N 0 3 384.477 -1.223 20 0 GAADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001119148375 1073819873 /nfs/dbraw/zinc/81/98/73/1073819873.db2.gz NCGDFPIAJTTYGQ-SFHVURJKSA-N 0 3 384.477 -1.223 20 0 GAADHN CC(C)N1CCCN(C(=O)C(=O)NC[C@]23COCCN2C(=O)COC3)CC1 ZINC001119152728 1073819697 /nfs/dbraw/zinc/81/96/97/1073819697.db2.gz DFFJDXBKPMBRIP-GOSISDBHSA-N 0 3 382.461 -1.327 20 0 GAADHN CC(C)N1CCCN(C(=O)C(=O)NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC001119152730 1073820608 /nfs/dbraw/zinc/82/06/08/1073820608.db2.gz DFFJDXBKPMBRIP-SFHVURJKSA-N 0 3 382.461 -1.327 20 0 GAADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001119193550 1073821088 /nfs/dbraw/zinc/82/10/88/1073821088.db2.gz PGVZOLIKBWJZDA-KGLIPLIRSA-N 0 3 384.477 -1.083 20 0 GAADHN CN(C)S(=O)(=O)NCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119203813 1073821141 /nfs/dbraw/zinc/82/11/41/1073821141.db2.gz ZZATVECGSLNVLW-UHFFFAOYSA-N 0 3 376.527 -1.196 20 0 GAADHN CN1CCN(C2CCN(C(=O)C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC001119240803 1073821311 /nfs/dbraw/zinc/82/13/11/1073821311.db2.gz RYCCTPVYALBATD-AWEZNQCLSA-N 0 3 379.461 -1.512 20 0 GAADHN CN1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC001119240804 1073820903 /nfs/dbraw/zinc/82/09/03/1073820903.db2.gz RYCCTPVYALBATD-CQSZACIVSA-N 0 3 379.461 -1.512 20 0 GAADHN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC001119293764 1073821637 /nfs/dbraw/zinc/82/16/37/1073821637.db2.gz WUUKUBKVBPCUFU-UHFFFAOYSA-N 0 3 387.506 -1.318 20 0 GAADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001119523853 1073825405 /nfs/dbraw/zinc/82/54/05/1073825405.db2.gz VFINXNJVJNZYFN-ZIAGYGMSSA-N 0 3 380.445 -1.322 20 0 GAADHN C[C@H]1CN(c2nnnn2CCNS(C)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC001119655306 1073826747 /nfs/dbraw/zinc/82/67/47/1073826747.db2.gz LMZQTBIIFVPMIE-KBPBESRZSA-N 0 3 386.526 -1.316 20 0 GAADHN C[C@@H]1CN(c2nnnn2CCNS(C)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC001119655307 1073826773 /nfs/dbraw/zinc/82/67/73/1073826773.db2.gz LMZQTBIIFVPMIE-KGLIPLIRSA-N 0 3 386.526 -1.316 20 0 GAADHN C[C@H]1CN(c2nnnn2CCNS(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC001119655308 1073826669 /nfs/dbraw/zinc/82/66/69/1073826669.db2.gz LMZQTBIIFVPMIE-UONOGXRCSA-N 0 3 386.526 -1.316 20 0 GAADHN C[C@@H]1CN(c2nnnn2CCNS(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC001119655309 1073826607 /nfs/dbraw/zinc/82/66/07/1073826607.db2.gz LMZQTBIIFVPMIE-ZIAGYGMSSA-N 0 3 386.526 -1.316 20 0 GAADHN O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001119701665 1073827365 /nfs/dbraw/zinc/82/73/65/1073827365.db2.gz RTNUJTDIEUWYST-UHFFFAOYSA-N 0 3 387.484 -1.079 20 0 GAADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CCN2C1=O ZINC001119703313 1073827314 /nfs/dbraw/zinc/82/73/14/1073827314.db2.gz ODTWRKZBIKVJIX-HNNXBMFYSA-N 0 3 380.493 -1.388 20 0 GAADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CCN2C1=O ZINC001119703314 1073827495 /nfs/dbraw/zinc/82/74/95/1073827495.db2.gz ODTWRKZBIKVJIX-OAHLLOKOSA-N 0 3 380.493 -1.388 20 0 GAADHN CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)cc2)CC1 ZINC001119725559 1073828522 /nfs/dbraw/zinc/82/85/22/1073828522.db2.gz ONTJKFRLUFYMGL-INIZCTEOSA-N 0 3 394.497 -1.037 20 0 GAADHN C[C@H](O)CN1CCN(CC(=O)NC[C@H](C)N2CCN(C[C@H](C)O)CC2)CC1 ZINC001119825536 1073829960 /nfs/dbraw/zinc/82/99/60/1073829960.db2.gz RHOFDGGCDFWFLW-BZSNNMDCSA-N 0 3 385.553 -1.512 20 0 GAADHN C[C@H](CNC(=O)CN1CCN(C[C@H](C)O)CC1)N1CCN(C[C@H](C)O)CC1 ZINC001119825537 1073829843 /nfs/dbraw/zinc/82/98/43/1073829843.db2.gz RHOFDGGCDFWFLW-SQNIBIBYSA-N 0 3 385.553 -1.512 20 0 GAADHN O=C(C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC001120329210 1073833417 /nfs/dbraw/zinc/83/34/17/1073833417.db2.gz UHFRVDDWQUGWQX-CABCVRRESA-N 0 3 399.517 -1.176 20 0 GAADHN O=C(C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N1CCC[C@H]1CN1CCCCC1 ZINC001120329211 1073833403 /nfs/dbraw/zinc/83/34/03/1073833403.db2.gz UHFRVDDWQUGWQX-GJZGRUSLSA-N 0 3 399.517 -1.176 20 0 GAADHN O=C(C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC001120329212 1073833504 /nfs/dbraw/zinc/83/35/04/1073833504.db2.gz UHFRVDDWQUGWQX-HUUCEWRRSA-N 0 3 399.517 -1.176 20 0 GAADHN O=C(C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N1CCC[C@H]1CN1CCCCC1 ZINC001120329213 1073833301 /nfs/dbraw/zinc/83/33/01/1073833301.db2.gz UHFRVDDWQUGWQX-LSDHHAIUSA-N 0 3 399.517 -1.176 20 0 GAADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1CCNCCC12CCOCC2 ZINC001120376213 1073834075 /nfs/dbraw/zinc/83/40/75/1073834075.db2.gz ITYVAIJUUQABJF-INIZCTEOSA-N 0 3 398.504 -1.491 20 0 GAADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1CCNCCC12CCOCC2 ZINC001120376214 1073834107 /nfs/dbraw/zinc/83/41/07/1073834107.db2.gz ITYVAIJUUQABJF-MRXNPFEDSA-N 0 3 398.504 -1.491 20 0 GAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001120387804 1073835193 /nfs/dbraw/zinc/83/51/93/1073835193.db2.gz MGPSHXKPRRXCRX-CYBMUJFWSA-N 0 3 386.474 -1.944 20 0 GAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001120387805 1073835281 /nfs/dbraw/zinc/83/52/81/1073835281.db2.gz MGPSHXKPRRXCRX-ZDUSSCGKSA-N 0 3 386.474 -1.944 20 0 GAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001120388853 1073835902 /nfs/dbraw/zinc/83/59/02/1073835902.db2.gz UDDDQGZWAXFUMO-CYBMUJFWSA-N 0 3 388.490 -1.698 20 0 GAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001120388854 1073835719 /nfs/dbraw/zinc/83/57/19/1073835719.db2.gz UDDDQGZWAXFUMO-ZDUSSCGKSA-N 0 3 388.490 -1.698 20 0 GAADHN CN1CCN(CCNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1(C)C ZINC001120418073 1073836791 /nfs/dbraw/zinc/83/67/91/1073836791.db2.gz OBXCUJUQLHQNLF-UHFFFAOYSA-N 0 3 382.552 -1.177 20 0 GAADHN COC[C@H]1CNCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001120421528 1073837151 /nfs/dbraw/zinc/83/71/51/1073837151.db2.gz YNXBAQOMXCDZPT-CABCVRRESA-N 0 3 383.493 -1.508 20 0 GAADHN COC[C@@H]1CNCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001120421529 1073836993 /nfs/dbraw/zinc/83/69/93/1073836993.db2.gz YNXBAQOMXCDZPT-GJZGRUSLSA-N 0 3 383.493 -1.508 20 0 GAADHN COC[C@H]1CNCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001120421530 1073836856 /nfs/dbraw/zinc/83/68/56/1073836856.db2.gz YNXBAQOMXCDZPT-HUUCEWRRSA-N 0 3 383.493 -1.508 20 0 GAADHN COC[C@@H]1CNCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001120421531 1073836914 /nfs/dbraw/zinc/83/69/14/1073836914.db2.gz YNXBAQOMXCDZPT-LSDHHAIUSA-N 0 3 383.493 -1.508 20 0 GAADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CCO1 ZINC001120473519 1073839136 /nfs/dbraw/zinc/83/91/36/1073839136.db2.gz NRFVIRKYBVHYTL-CYBMUJFWSA-N 0 3 384.433 -1.991 20 0 GAADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CCO1 ZINC001120473520 1073839154 /nfs/dbraw/zinc/83/91/54/1073839154.db2.gz NRFVIRKYBVHYTL-ZDUSSCGKSA-N 0 3 384.433 -1.991 20 0 GAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 ZINC001120506452 1073839730 /nfs/dbraw/zinc/83/97/30/1073839730.db2.gz PJCADFWMARAGBQ-UHFFFAOYSA-N 0 3 391.472 -1.414 20 0 GAADHN COCC[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001120514448 1073840383 /nfs/dbraw/zinc/84/03/83/1073840383.db2.gz GKUXREVGABRHEY-DLBZAZTESA-N 0 3 397.520 -1.654 20 0 GAADHN COCC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001120514449 1073840124 /nfs/dbraw/zinc/84/01/24/1073840124.db2.gz GKUXREVGABRHEY-IAGOWNOFSA-N 0 3 397.520 -1.654 20 0 GAADHN COCC[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001120514450 1073840512 /nfs/dbraw/zinc/84/05/12/1073840512.db2.gz GKUXREVGABRHEY-IRXDYDNUSA-N 0 3 397.520 -1.654 20 0 GAADHN COCC[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001120514451 1073840276 /nfs/dbraw/zinc/84/02/76/1073840276.db2.gz GKUXREVGABRHEY-SJORKVTESA-N 0 3 397.520 -1.654 20 0 GAADHN O=C(C[C@H]1COCCN1)N1CCNCCN(C(=O)C[C@H]2COCCN2)CC1 ZINC001122182297 1073844303 /nfs/dbraw/zinc/84/43/03/1073844303.db2.gz OAINJVZURDJZJG-HOTGVXAUSA-N 0 3 383.493 -1.996 20 0 GAADHN O=C(C[C@@H]1COCCN1)N1CCNCCN(C(=O)C[C@@H]2COCCN2)CC1 ZINC001122182298 1073844727 /nfs/dbraw/zinc/84/47/27/1073844727.db2.gz OAINJVZURDJZJG-HZPDHXFCSA-N 0 3 383.493 -1.996 20 0 GAADHN CCS(=O)(=O)NCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC001123256210 1073847696 /nfs/dbraw/zinc/84/76/96/1073847696.db2.gz HPOGEWXHTXYZRI-UHFFFAOYSA-N 0 3 399.521 -1.001 20 0 GAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001123810899 1073849471 /nfs/dbraw/zinc/84/94/71/1073849471.db2.gz QAHQTLUCNOGSQI-LLVKDONJSA-N 0 3 384.462 -1.291 20 0 GAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001123810900 1073849486 /nfs/dbraw/zinc/84/94/86/1073849486.db2.gz QAHQTLUCNOGSQI-NSHDSACASA-N 0 3 384.462 -1.291 20 0 GAADHN CN(C)CCN1C[C@H](C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)CC1=O ZINC001123913784 1073849985 /nfs/dbraw/zinc/84/99/85/1073849985.db2.gz YMLCHKQEKJICEU-GFCCVEGCSA-N 0 3 377.449 -1.268 20 0 GAADHN CN(C)CCN1C[C@@H](C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)CC1=O ZINC001123913788 1073849625 /nfs/dbraw/zinc/84/96/25/1073849625.db2.gz YMLCHKQEKJICEU-LBPRGKRZSA-N 0 3 377.449 -1.268 20 0 GAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001123951112 1073850837 /nfs/dbraw/zinc/85/08/37/1073850837.db2.gz UJUHIZGPTVMOSE-BRSBDYLESA-N 0 3 392.548 -1.224 20 0 GAADHN CCN1CCN(C2CN(C(=O)CNS(=O)(=O)c3cn(C)c(C)n3)C2)CC1 ZINC001124052918 1073851218 /nfs/dbraw/zinc/85/12/18/1073851218.db2.gz JFBFWGQCTAHMSI-UHFFFAOYSA-N 0 3 384.506 -1.145 20 0 GAADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129850220 1075020499 /nfs/dbraw/zinc/02/04/99/1075020499.db2.gz SJAXDXMFOPNMLW-TUVASFSCSA-N 0 3 380.449 -1.457 20 0 GAADHN CC(=O)NCCOCCN[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129863704 1075020886 /nfs/dbraw/zinc/02/08/86/1075020886.db2.gz GWUGEVIPDYHYRI-DFGXFYAUSA-N 0 3 392.460 -1.191 20 0 GAADHN NC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001129898432 1075021899 /nfs/dbraw/zinc/02/18/99/1075021899.db2.gz VHULGGCNCVIGBZ-WFFHOREQSA-N 0 3 387.404 -1.659 20 0 GAADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129898578 1075021765 /nfs/dbraw/zinc/02/17/65/1075021765.db2.gz XTTLGKPBRSVGGJ-UKMLZYKCSA-N 0 3 392.460 -1.050 20 0 GAADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912373 1075020934 /nfs/dbraw/zinc/02/09/34/1075020934.db2.gz BIRUCPSBVUSFON-LVQVYYBASA-N 0 3 393.492 -1.183 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NCC(=O)NC3CC3)[C@@H](n3ccnn3)C2)O1 ZINC001129912385 1075021509 /nfs/dbraw/zinc/02/15/09/1075021509.db2.gz CBEKNTITFZSRTD-DMRZNYOFSA-N 0 3 391.476 -1.383 20 0 GAADHN CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912455 1075021438 /nfs/dbraw/zinc/02/14/38/1075021438.db2.gz HDELVONHYSAOOG-LVQVYYBASA-N 0 3 393.492 -1.135 20 0 GAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912459 1075021403 /nfs/dbraw/zinc/02/14/03/1075021403.db2.gz HHGUICQTMYEXQV-APIJFGDWSA-N 0 3 379.465 -1.525 20 0 GAADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912478 1075021329 /nfs/dbraw/zinc/02/13/29/1075021329.db2.gz JIZYEEVVXGEDKW-LVQVYYBASA-N 0 3 393.492 -1.137 20 0 GAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NCC(=O)N(C)C)[C@@H](n3ccnn3)C2)O1 ZINC001129912560 1075021280 /nfs/dbraw/zinc/02/12/80/1075021280.db2.gz OGVUIYZHJKOXQK-APIJFGDWSA-N 0 3 379.465 -1.573 20 0 GAADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129939394 1075021833 /nfs/dbraw/zinc/02/18/33/1075021833.db2.gz DRNANFXQEXTPNH-ZOFXXKQRSA-N 0 3 395.460 -1.320 20 0 GAADHN COCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H]1n1ccnn1 ZINC001130006207 1075022548 /nfs/dbraw/zinc/02/25/48/1075022548.db2.gz XTUPBBKTUXIZAO-CBBWQLFWSA-N 0 3 380.449 -1.098 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001130007127 1075022604 /nfs/dbraw/zinc/02/26/04/1075022604.db2.gz ASDYMEKNTCSUGC-RQJABVFESA-N 0 3 375.433 -1.733 20 0 GAADHN CC(C)NC(=O)NCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007248 1075022634 /nfs/dbraw/zinc/02/26/34/1075022634.db2.gz GJRZSPTXNZGONC-RQJABVFESA-N 0 3 392.464 -1.551 20 0 GAADHN CC(=O)NCCOCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007256 1075022584 /nfs/dbraw/zinc/02/25/84/1075022584.db2.gz GMWOQCAHWOABAB-BARDWOONSA-N 0 3 393.448 -2.106 20 0 GAADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007682 1075023025 /nfs/dbraw/zinc/02/30/25/1075023025.db2.gz QQIPNDMHPQUYBY-XQHKEYJVSA-N 0 3 384.462 -1.824 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)O1 ZINC001130009261 1075023265 /nfs/dbraw/zinc/02/32/65/1075023265.db2.gz FTFBJTKOLBUTOK-ZOBORPQBSA-N 0 3 382.421 -2.339 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130009302 1075023439 /nfs/dbraw/zinc/02/34/39/1075023439.db2.gz HVOFGWGUJSGUJK-BARDWOONSA-N 0 3 380.449 -1.470 20 0 GAADHN 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CC(=O)O[C@@H](C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001144162314 1075055036 /nfs/dbraw/zinc/05/50/36/1075055036.db2.gz ZGDQBZOLGCTLJD-IQKMCBHZSA-N 0 3 396.360 -2.655 20 0 GAADHN CN(Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144898475 1075065043 /nfs/dbraw/zinc/06/50/43/1075065043.db2.gz AWPNRSZDBWKQIJ-BRWVUGGUSA-N 0 3 398.431 -1.107 20 0 GAADHN CN(Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144898476 1075064969 /nfs/dbraw/zinc/06/49/69/1075064969.db2.gz AWPNRSZDBWKQIJ-GVDBMIGSSA-N 0 3 398.431 -1.107 20 0 GAADHN CN(Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144898477 1075065109 /nfs/dbraw/zinc/06/51/09/1075065109.db2.gz AWPNRSZDBWKQIJ-IXDOHACOSA-N 0 3 398.431 -1.107 20 0 GAADHN CN(Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144898479 1075064982 /nfs/dbraw/zinc/06/49/82/1075064982.db2.gz AWPNRSZDBWKQIJ-YESZJQIVSA-N 0 3 398.431 -1.107 20 0 GAADHN O=C(C(=O)N1CCC(N2CCc3ccccc3C2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899408 1075066270 /nfs/dbraw/zinc/06/62/70/1075066270.db2.gz JUFDYGIQRQDHFP-FGTMMUONSA-N 0 3 392.452 -1.320 20 0 GAADHN O=C(C(=O)N1CCC(N2CCc3ccccc3C2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899409 1075066319 /nfs/dbraw/zinc/06/63/19/1075066319.db2.gz JUFDYGIQRQDHFP-KZNAEPCWSA-N 0 3 392.452 -1.320 20 0 GAADHN O=C(C(=O)N1CCC(N2CCc3ccccc3C2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899410 1075066291 /nfs/dbraw/zinc/06/62/91/1075066291.db2.gz JUFDYGIQRQDHFP-OKZBNKHCSA-N 0 3 392.452 -1.320 20 0 GAADHN O=C(C(=O)N1CCC(N2CCc3ccccc3C2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899411 1075066342 /nfs/dbraw/zinc/06/63/42/1075066342.db2.gz JUFDYGIQRQDHFP-RCCFBDPRSA-N 0 3 392.452 -1.320 20 0 GAADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc2)CC1 ZINC001144901974 1075069563 /nfs/dbraw/zinc/06/95/63/1075069563.db2.gz GSRBKKGBWSHBEL-BRWVUGGUSA-N 0 3 395.456 -1.593 20 0 GAADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc2)CC1 ZINC001144901975 1075069539 /nfs/dbraw/zinc/06/95/39/1075069539.db2.gz GSRBKKGBWSHBEL-GVDBMIGSSA-N 0 3 395.456 -1.593 20 0 GAADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc2)CC1 ZINC001144901976 1075069532 /nfs/dbraw/zinc/06/95/32/1075069532.db2.gz GSRBKKGBWSHBEL-IXDOHACOSA-N 0 3 395.456 -1.593 20 0 GAADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc2)CC1 ZINC001144901977 1075069590 /nfs/dbraw/zinc/06/95/90/1075069590.db2.gz GSRBKKGBWSHBEL-YESZJQIVSA-N 0 3 395.456 -1.593 20 0 GAADHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903535 1075070554 /nfs/dbraw/zinc/07/05/54/1075070554.db2.gz LCKCAIASYCWSGI-LUKYLMHMSA-N 0 3 380.441 -1.341 20 0 GAADHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903536 1075070601 /nfs/dbraw/zinc/07/06/01/1075070601.db2.gz LCKCAIASYCWSGI-MWDXBVQZSA-N 0 3 380.441 -1.341 20 0 GAADHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903537 1075070539 /nfs/dbraw/zinc/07/05/39/1075070539.db2.gz LCKCAIASYCWSGI-VVLHAWIVSA-N 0 3 380.441 -1.341 20 0 GAADHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903538 1075070593 /nfs/dbraw/zinc/07/05/93/1075070593.db2.gz LCKCAIASYCWSGI-YLFCFFPRSA-N 0 3 380.441 -1.341 20 0 GAADHN CS(=O)(=O)N(C(=O)C(O)=C([O-])[C@@H](O)[C@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903815 1075070788 /nfs/dbraw/zinc/07/07/88/1075070788.db2.gz MUDYLLCCJUBJHA-GRYCIOLGSA-N 0 3 376.387 -2.918 20 0 GAADHN CS(=O)(=O)N(C(=O)C([O-])=C(O)[C@@H](O)[C@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903815 1075070785 /nfs/dbraw/zinc/07/07/85/1075070785.db2.gz MUDYLLCCJUBJHA-GRYCIOLGSA-N 0 3 376.387 -2.918 20 0 GAADHN CS(=O)(=O)N(C(=O)C(O)=C([O-])[C@H](O)[C@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903817 1075070821 /nfs/dbraw/zinc/07/08/21/1075070821.db2.gz MUDYLLCCJUBJHA-IJLUTSLNSA-N 0 3 376.387 -2.918 20 0 GAADHN CS(=O)(=O)N(C(=O)C([O-])=C(O)[C@H](O)[C@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903817 1075070820 /nfs/dbraw/zinc/07/08/20/1075070820.db2.gz MUDYLLCCJUBJHA-IJLUTSLNSA-N 0 3 376.387 -2.918 20 0 GAADHN CS(=O)(=O)N(C(=O)C(O)=C([O-])[C@H](O)[C@@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903819 1075070815 /nfs/dbraw/zinc/07/08/15/1075070815.db2.gz MUDYLLCCJUBJHA-QJPTWQEYSA-N 0 3 376.387 -2.918 20 0 GAADHN CS(=O)(=O)N(C(=O)C([O-])=C(O)[C@H](O)[C@@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903819 1075070811 /nfs/dbraw/zinc/07/08/11/1075070811.db2.gz MUDYLLCCJUBJHA-QJPTWQEYSA-N 0 3 376.387 -2.918 20 0 GAADHN CS(=O)(=O)N(C(=O)C(O)=C([O-])[C@@H](O)[C@@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903822 1075070764 /nfs/dbraw/zinc/07/07/64/1075070764.db2.gz MUDYLLCCJUBJHA-SDDRHHMPSA-N 0 3 376.387 -2.918 20 0 GAADHN CS(=O)(=O)N(C(=O)C([O-])=C(O)[C@@H](O)[C@@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903822 1075070760 /nfs/dbraw/zinc/07/07/60/1075070760.db2.gz MUDYLLCCJUBJHA-SDDRHHMPSA-N 0 3 376.387 -2.918 20 0 GAADHN O=C(NCC(=O)N1CCN(C2CCCCC2)CC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146628991 1075081333 /nfs/dbraw/zinc/08/13/33/1075081333.db2.gz RLXHHJJHOBTWHE-JFIYKMOQSA-N 0 3 381.473 -1.008 20 0 GAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C1CC=CC1 ZINC001146702747 1075082072 /nfs/dbraw/zinc/08/20/72/1075082072.db2.gz VJRODIQQOFWXEC-XBMUNGEKSA-N 0 3 376.373 -1.641 20 0 GAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C1=CCCCC1 ZINC001146725765 1075082182 /nfs/dbraw/zinc/08/21/82/1075082182.db2.gz XIWFUHIVADLSCU-NKTGWMFESA-N 0 3 390.400 -1.106 20 0 GAADHN Cn1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001147014373 1075082665 /nfs/dbraw/zinc/08/26/65/1075082665.db2.gz XVUGGRJDCPXZCB-XBMUNGEKSA-N 0 3 389.372 -2.220 20 0 GAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1ccco1 ZINC001147096561 1075083056 /nfs/dbraw/zinc/08/30/56/1075083056.db2.gz INAKLTJBGPHOBX-BPTATDOASA-N 0 3 376.329 -1.965 20 0 GAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cscn1 ZINC001147369663 1075083032 /nfs/dbraw/zinc/08/30/32/1075083032.db2.gz IZJQXFJXESKYHF-HTFXMJNNSA-N 0 3 393.385 -2.102 20 0 GAADHN Nc1cn(C(=O)c2cc3n(n2)CCNC3=O)ccc1=NCCN1CCOCC1 ZINC001147538426 1075083727 /nfs/dbraw/zinc/08/37/27/1075083727.db2.gz CEWURMDWRHGVOC-UHFFFAOYSA-N 0 3 385.428 -1.068 20 0 GAADHN CCN1CCN(c2ccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)cc2)CC1 ZINC001149010516 1075085608 /nfs/dbraw/zinc/08/56/08/1075085608.db2.gz JNRNICCFMCKXHJ-VDCDIQELSA-N 0 3 395.456 -1.642 20 0 GAADHN CCN1CCN(c2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001149010523 1075085569 /nfs/dbraw/zinc/08/55/69/1075085569.db2.gz JNRNICCFMCKXHJ-VYIWNADRSA-N 0 3 395.456 -1.642 20 0 GAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001151862204 1073905855 /nfs/dbraw/zinc/90/58/55/1073905855.db2.gz VUFPSPRATNNERW-GXTWGEPZSA-N 0 3 391.432 -1.235 20 0 GAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001151862209 1073905746 /nfs/dbraw/zinc/90/57/46/1073905746.db2.gz VUFPSPRATNNERW-JSGCOSHPSA-N 0 3 391.432 -1.235 20 0 GAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001151862211 1073905996 /nfs/dbraw/zinc/90/59/96/1073905996.db2.gz VUFPSPRATNNERW-OCCSQVGLSA-N 0 3 391.432 -1.235 20 0 GAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001151862214 1073905934 /nfs/dbraw/zinc/90/59/34/1073905934.db2.gz VUFPSPRATNNERW-TZMCWYRMSA-N 0 3 391.432 -1.235 20 0 GAADHN CNC(=O)CN1CCCC12CCN(C(=O)c1ncn3c1nnn(C)c3=O)CC2 ZINC001152745104 1073908944 /nfs/dbraw/zinc/90/89/44/1073908944.db2.gz NRKXAWBQXTWEJO-UHFFFAOYSA-N 0 3 388.432 -1.360 20 0 GAADHN Cn1nnc2c(C(=O)n3ccc(=NCCN4CCOCC4)c(N)c3)ncn2c1=O ZINC001152747430 1073908983 /nfs/dbraw/zinc/90/89/83/1073908983.db2.gz RGWUYKQEMZNGPY-UHFFFAOYSA-N 0 3 399.415 -1.872 20 0 GAADHN CN(CCNC(=O)c1cc2n(n1)CCN(C)S2(=O)=O)CCOCCO ZINC001153232324 1073911470 /nfs/dbraw/zinc/91/14/70/1073911470.db2.gz IFUMBDVPPDCJPC-UHFFFAOYSA-N 0 3 375.451 -1.812 20 0 GAADHN CN(C)CCn1nccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001153995587 1073913300 /nfs/dbraw/zinc/91/33/00/1073913300.db2.gz VPHMYIIGESQAJW-UHFFFAOYSA-N 0 3 382.450 -1.291 20 0 GAADHN CN(c1nc(N2CCOCC2)nc(N2CCOCC2)n1)S(=O)(=O)CCN ZINC001156231496 1073920840 /nfs/dbraw/zinc/92/08/40/1073920840.db2.gz IVKKQBJXJJETNS-UHFFFAOYSA-N 0 3 387.466 -1.731 20 0 GAADHN CN(c1cc(N2CCOCC2)nc(N2CCOCC2)n1)S(=O)(=O)CCN ZINC001156232295 1073920869 /nfs/dbraw/zinc/92/08/69/1073920869.db2.gz VLVGDXWAUGDZMB-UHFFFAOYSA-N 0 3 386.478 -1.126 20 0 GAADHN CN(c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)S(=O)(=O)CCN ZINC001156240656 1073921192 /nfs/dbraw/zinc/92/11/92/1073921192.db2.gz TXLJFGMXKRQZHC-UHFFFAOYSA-N 0 3 376.460 -1.323 20 0 GAADHN NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157303433 1073923908 /nfs/dbraw/zinc/92/39/08/1073923908.db2.gz HUVKWBMLRWSVJN-KBPBESRZSA-N 0 3 375.429 -2.354 20 0 GAADHN NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001157303439 1073923787 /nfs/dbraw/zinc/92/37/87/1073923787.db2.gz HUVKWBMLRWSVJN-UONOGXRCSA-N 0 3 375.429 -2.354 20 0 GAADHN NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1CCCC[C@H](N)C1=O ZINC001157304520 1073923820 /nfs/dbraw/zinc/92/38/20/1073923820.db2.gz ZKBTWOFTIDHCJZ-GJZGRUSLSA-N 0 3 389.456 -1.345 20 0 GAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001157309117 1073924352 /nfs/dbraw/zinc/92/43/52/1073924352.db2.gz DFUJXSLLCJOJDS-JDFRZJQESA-N 0 3 391.472 -1.195 20 0 GAADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H](N)CN)ccc12 ZINC001157365246 1073924505 /nfs/dbraw/zinc/92/45/05/1073924505.db2.gz VVQAOEGPDKXPRK-LBPRGKRZSA-N 0 3 375.385 -1.442 20 0 GAADHN C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](N)C2Cc3ccccc3C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421692 1073925150 /nfs/dbraw/zinc/92/51/50/1073925150.db2.gz AJWUFXSZSHFCNK-CMNJCQDJSA-N 0 3 380.441 -1.311 20 0 GAADHN CN[C@H](C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)OC(C)(C)C ZINC001157423130 1073925097 /nfs/dbraw/zinc/92/50/97/1073925097.db2.gz KPXFXPCGFPFINW-LHGYAUNYSA-N 0 3 378.466 -1.262 20 0 GAADHN C[C@@H]1O[C@@H](OCCNC(=O)CN2CCCC[C@H](N)C2=O)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423150 1073925118 /nfs/dbraw/zinc/92/51/18/1073925118.db2.gz KRKFIJICLYTZBR-HGADGRJFSA-N 0 3 375.422 -2.714 20 0 GAADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157423752 1073924966 /nfs/dbraw/zinc/92/49/66/1073924966.db2.gz OTSXVTCMDRUDHD-HGADGRJFSA-N 0 3 392.449 -1.734 20 0 GAADHN CN[C@@H](COCc1ccccc1)C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157424323 1073925911 /nfs/dbraw/zinc/92/59/11/1073925911.db2.gz RSCGTTMENAHAOT-HGOLCKAWSA-N 0 3 398.456 -1.249 20 0 GAADHN C[C@@H]1O[C@@H](OCCNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424347 1073925790 /nfs/dbraw/zinc/92/57/90/1073925790.db2.gz SBUFKCVXGHUTLF-WIALDJIHSA-N 0 3 392.449 -1.604 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521763 1073926625 /nfs/dbraw/zinc/92/66/25/1073926625.db2.gz LBLQJWFEZRXCNC-BQBZGAKWSA-N 0 3 377.327 -1.654 20 0 GAADHN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545374 1073926558 /nfs/dbraw/zinc/92/65/58/1073926558.db2.gz RMWNPCBGYIHSQY-QPSCCSFWSA-N 0 3 397.451 -1.388 20 0 GAADHN CC(=O)CN(C)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001157862949 1073927942 /nfs/dbraw/zinc/92/79/42/1073927942.db2.gz NAYSBXFEEKHZGZ-HUBLWGQQSA-N 0 3 388.440 -1.065 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877647 1073928628 /nfs/dbraw/zinc/92/86/28/1073928628.db2.gz MAJHOJYMRQBIBQ-UWVGGRQHSA-N 0 3 383.840 -1.514 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157934961 1073929325 /nfs/dbraw/zinc/92/93/25/1073929325.db2.gz PSDDUFDJXXZIOB-DWURIKNASA-N 0 3 386.346 -1.052 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157934962 1073929286 /nfs/dbraw/zinc/92/92/86/1073929286.db2.gz PSDDUFDJXXZIOB-NMSKTSORSA-N 0 3 386.346 -1.052 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157934963 1073929305 /nfs/dbraw/zinc/92/93/05/1073929305.db2.gz PSDDUFDJXXZIOB-YDEXJTGXSA-N 0 3 386.346 -1.052 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157934964 1073929232 /nfs/dbraw/zinc/92/92/32/1073929232.db2.gz PSDDUFDJXXZIOB-YFBYITSOSA-N 0 3 386.346 -1.052 20 0 GAADHN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC001157966958 1073929138 /nfs/dbraw/zinc/92/91/38/1073929138.db2.gz AHTVGAGNBJGHQX-AWEZNQCLSA-N 0 3 390.444 -2.533 20 0 GAADHN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC001157966959 1073929352 /nfs/dbraw/zinc/92/93/52/1073929352.db2.gz AHTVGAGNBJGHQX-CQSZACIVSA-N 0 3 390.444 -2.533 20 0 GAADHN CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001158000511 1073930087 /nfs/dbraw/zinc/93/00/87/1073930087.db2.gz YNRIRSKQIKPELC-GXTWGEPZSA-N 0 3 378.433 -1.323 20 0 GAADHN CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001158000514 1073929806 /nfs/dbraw/zinc/92/98/06/1073929806.db2.gz YNRIRSKQIKPELC-JSGCOSHPSA-N 0 3 378.433 -1.323 20 0 GAADHN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001158416176 1073933521 /nfs/dbraw/zinc/93/35/21/1073933521.db2.gz SMGQIJKDHBFPST-KVFJLYFUSA-N 0 3 384.433 -1.736 20 0 GAADHN COC(=O)c1cnc(-n2nncc2CN)c(S(=O)(=O)N2CCOCC2)c1 ZINC001158428096 1073933549 /nfs/dbraw/zinc/93/35/49/1073933549.db2.gz OQBQULGIJLUYBP-UHFFFAOYSA-N 0 3 382.402 -1.072 20 0 GAADHN CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001158430207 1073933683 /nfs/dbraw/zinc/93/36/83/1073933683.db2.gz FFLAOEBTVMXORJ-IUCAKERBSA-N 0 3 381.393 -2.496 20 0 GAADHN Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517048 1073934136 /nfs/dbraw/zinc/93/41/36/1073934136.db2.gz SUBASPQZXRMMQR-FIDHJVLJSA-N 0 3 391.472 -1.032 20 0 GAADHN Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517049 1073934044 /nfs/dbraw/zinc/93/40/44/1073934044.db2.gz SUBASPQZXRMMQR-MZBWOGCUSA-N 0 3 391.472 -1.032 20 0 GAADHN Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517050 1073934156 /nfs/dbraw/zinc/93/41/56/1073934156.db2.gz SUBASPQZXRMMQR-WRQOLXDDSA-N 0 3 391.472 -1.032 20 0 GAADHN Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517051 1073934192 /nfs/dbraw/zinc/93/41/92/1073934192.db2.gz SUBASPQZXRMMQR-ZHCJQAHYSA-N 0 3 391.472 -1.032 20 0 GAADHN Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]3O2)n1 ZINC001158693862 1073935441 /nfs/dbraw/zinc/93/54/41/1073935441.db2.gz PQYBUWHAADVMBO-DUIQVVMOSA-N 0 3 394.432 -1.236 20 0 GAADHN O=C([C@H]1COC2(CNC2)CN1)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694752 1073935852 /nfs/dbraw/zinc/93/58/52/1073935852.db2.gz WCZGOJRATMDXGE-HWMZRRJGSA-N 0 3 378.473 -1.055 20 0 GAADHN O=C([C@@H]1COC2(CNC2)CN1)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694756 1073936098 /nfs/dbraw/zinc/93/60/98/1073936098.db2.gz WCZGOJRATMDXGE-MPTYRVRUSA-N 0 3 378.473 -1.055 20 0 GAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001158735013 1073936043 /nfs/dbraw/zinc/93/60/43/1073936043.db2.gz JYDNHLOKSNGGNN-WPRPVWTQSA-N 0 3 389.434 -2.567 20 0 GAADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)CN1CCCC[C@H](N)C1=O ZINC001158735665 1073935881 /nfs/dbraw/zinc/93/58/81/1073935881.db2.gz WRLNCUNPXPTLCV-LBPRGKRZSA-N 0 3 399.473 -1.052 20 0 GAADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1CCCN1C(=O)CN ZINC001158735980 1073935835 /nfs/dbraw/zinc/93/58/35/1073935835.db2.gz XWWNHYUKLLDMCB-LBPRGKRZSA-N 0 3 385.446 -1.442 20 0 GAADHN CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001158746861 1073936027 /nfs/dbraw/zinc/93/60/27/1073936027.db2.gz JEIVSKDYXDEJLG-AWEZNQCLSA-N 0 3 393.444 -1.506 20 0 GAADHN CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001158746862 1073935815 /nfs/dbraw/zinc/93/58/15/1073935815.db2.gz JEIVSKDYXDEJLG-CQSZACIVSA-N 0 3 393.444 -1.506 20 0 GAADHN O=C([C@H]1COC2(CNC2)CN1)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747888 1073936700 /nfs/dbraw/zinc/93/67/00/1073936700.db2.gz KPOSKMUNTZUXAH-LVQVYYBASA-N 0 3 394.472 -1.408 20 0 GAADHN O=C([C@@H]1COC2(CNC2)CN1)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747889 1073936828 /nfs/dbraw/zinc/93/68/28/1073936828.db2.gz KPOSKMUNTZUXAH-WCVJEAGWSA-N 0 3 394.472 -1.408 20 0 GAADHN CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001158748348 1073936805 /nfs/dbraw/zinc/93/68/05/1073936805.db2.gz WSDCZYMQKCVXGO-GFCCVEGCSA-N 0 3 396.448 -1.060 20 0 GAADHN CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001158789611 1073936769 /nfs/dbraw/zinc/93/67/69/1073936769.db2.gz FFOFKPXJEVIOGN-AXFHLTTASA-N 0 3 381.437 -1.922 20 0 GAADHN CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001158789612 1073936645 /nfs/dbraw/zinc/93/66/45/1073936645.db2.gz FFOFKPXJEVIOGN-DCAQKATOSA-N 0 3 381.437 -1.922 20 0 GAADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N(C)C[C@H](O)CO ZINC001158800585 1073937191 /nfs/dbraw/zinc/93/71/91/1073937191.db2.gz WIAIBPSMVQVLQD-AJNGGQMLSA-N 0 3 386.493 -1.333 20 0 GAADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N(C)C[C@@H](O)CO ZINC001158800586 1073937402 /nfs/dbraw/zinc/93/74/02/1073937402.db2.gz WIAIBPSMVQVLQD-XGUBFFRZSA-N 0 3 386.493 -1.333 20 0 GAADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001158810256 1073937392 /nfs/dbraw/zinc/93/73/92/1073937392.db2.gz DTTGBZBPJNCTIW-KBPBESRZSA-N 0 3 382.461 -1.771 20 0 GAADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001158810301 1073937431 /nfs/dbraw/zinc/93/74/31/1073937431.db2.gz DTTGBZBPJNCTIW-KGLIPLIRSA-N 0 3 382.461 -1.771 20 0 GAADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001158810303 1073937298 /nfs/dbraw/zinc/93/72/98/1073937298.db2.gz DTTGBZBPJNCTIW-UONOGXRCSA-N 0 3 382.461 -1.771 20 0 GAADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001158810305 1073937248 /nfs/dbraw/zinc/93/72/48/1073937248.db2.gz DTTGBZBPJNCTIW-ZIAGYGMSSA-N 0 3 382.461 -1.771 20 0 GAADHN O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@@H]2COC3(CNC3)CN2)C1)N1CCCC1 ZINC001158810589 1073937220 /nfs/dbraw/zinc/93/72/20/1073937220.db2.gz IHBSCTNULWNWBS-CAOSSQGBSA-N 0 3 378.473 -1.055 20 0 GAADHN O=C([C@H]1COC2(CNC2)CN1)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810590 1073937416 /nfs/dbraw/zinc/93/74/16/1073937416.db2.gz IHBSCTNULWNWBS-ZJIFWQFVSA-N 0 3 378.473 -1.055 20 0 GAADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001158810626 1073937313 /nfs/dbraw/zinc/93/73/13/1073937313.db2.gz JMLJEBJUQKUPEO-CHWSQXEVSA-N 0 3 385.465 -1.325 20 0 GAADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001158810627 1073937382 /nfs/dbraw/zinc/93/73/82/1073937382.db2.gz JMLJEBJUQKUPEO-QWHCGFSZSA-N 0 3 385.465 -1.325 20 0 GAADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001158811598 1073937407 /nfs/dbraw/zinc/93/74/07/1073937407.db2.gz XSCNDOQKXFWXEE-IZEVZFMRSA-N 0 3 375.491 -1.005 20 0 GAADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001158811599 1073937454 /nfs/dbraw/zinc/93/74/54/1073937454.db2.gz XSCNDOQKXFWXEE-OCDDVZBJSA-N 0 3 375.491 -1.005 20 0 GAADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001158811600 1073937443 /nfs/dbraw/zinc/93/74/43/1073937443.db2.gz XSCNDOQKXFWXEE-OLXKUKDPSA-N 0 3 375.491 -1.005 20 0 GAADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001158811601 1073937235 /nfs/dbraw/zinc/93/72/35/1073937235.db2.gz XSCNDOQKXFWXEE-UXGGDIESSA-N 0 3 375.491 -1.005 20 0 GAADHN N[C@H]1CCCCN(CC(=O)N2CCn3c(CN4CCOCC4)nnc3C2)C1=O ZINC001158821156 1073938712 /nfs/dbraw/zinc/93/87/12/1073938712.db2.gz AUMDJNFUPSFTDT-AWEZNQCLSA-N 0 3 391.476 -1.208 20 0 GAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821174 1073938750 /nfs/dbraw/zinc/93/87/50/1073938750.db2.gz BLYXPSLTPFCFQA-CYBMUJFWSA-N 0 3 377.449 -2.217 20 0 GAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821175 1073938563 /nfs/dbraw/zinc/93/85/63/1073938563.db2.gz BLYXPSLTPFCFQA-ZDUSSCGKSA-N 0 3 377.449 -2.217 20 0 GAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822057 1073938380 /nfs/dbraw/zinc/93/83/80/1073938380.db2.gz SPOVZLIEFZWGSW-GFCCVEGCSA-N 0 3 380.453 -1.772 20 0 GAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158835199 1073938636 /nfs/dbraw/zinc/93/86/36/1073938636.db2.gz ZXMWQCNDQJFAMW-GUYCJALGSA-N 0 3 393.492 -1.058 20 0 GAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158870929 1073938583 /nfs/dbraw/zinc/93/85/83/1073938583.db2.gz FRTZXCNYOXZKLY-AWEZNQCLSA-N 0 3 399.455 -1.033 20 0 GAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158870930 1073938593 /nfs/dbraw/zinc/93/85/93/1073938593.db2.gz FRTZXCNYOXZKLY-CQSZACIVSA-N 0 3 399.455 -1.033 20 0 GAADHN CC(C)Oc1ncnc2c1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001158967618 1073939359 /nfs/dbraw/zinc/93/93/59/1073939359.db2.gz CCTVATTYQGPTDV-FZMZJTMJSA-N 0 3 392.460 -1.102 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967813 1073939308 /nfs/dbraw/zinc/93/93/08/1073939308.db2.gz FDAGZTCTAXLQMY-RVMXOQNASA-N 0 3 391.432 -2.400 20 0 GAADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001158991446 1073942310 /nfs/dbraw/zinc/94/23/10/1073942310.db2.gz MJWLEBOWGAITAN-BBRMVZONSA-N 0 3 389.460 -1.092 20 0 GAADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001158991450 1073942932 /nfs/dbraw/zinc/94/29/32/1073942932.db2.gz MJWLEBOWGAITAN-CJNGLKHVSA-N 0 3 389.460 -1.092 20 0 GAADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001158992337 1073942905 /nfs/dbraw/zinc/94/29/05/1073942905.db2.gz VTFHLNRYFPWLBJ-DOMZBBRYSA-N 0 3 375.433 -1.103 20 0 GAADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001158992337 1073942894 /nfs/dbraw/zinc/94/28/94/1073942894.db2.gz VTFHLNRYFPWLBJ-DOMZBBRYSA-N 0 3 375.433 -1.103 20 0 GAADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H](N)Cc2cnc[nH]2)C1 ZINC001158992339 1073942710 /nfs/dbraw/zinc/94/27/10/1073942710.db2.gz VTFHLNRYFPWLBJ-IUODEOHRSA-N 0 3 375.433 -1.103 20 0 GAADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001158992339 1073942692 /nfs/dbraw/zinc/94/26/92/1073942692.db2.gz VTFHLNRYFPWLBJ-IUODEOHRSA-N 0 3 375.433 -1.103 20 0 GAADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H](N)Cc2cnc[nH]2)C1 ZINC001158992340 1073943061 /nfs/dbraw/zinc/94/30/61/1073943061.db2.gz VTFHLNRYFPWLBJ-SWLSCSKDSA-N 0 3 375.433 -1.103 20 0 GAADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001158992340 1073943054 /nfs/dbraw/zinc/94/30/54/1073943054.db2.gz VTFHLNRYFPWLBJ-SWLSCSKDSA-N 0 3 375.433 -1.103 20 0 GAADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001158992341 1073942650 /nfs/dbraw/zinc/94/26/50/1073942650.db2.gz VTFHLNRYFPWLBJ-WFASDCNBSA-N 0 3 375.433 -1.103 20 0 GAADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001158992341 1073942634 /nfs/dbraw/zinc/94/26/34/1073942634.db2.gz VTFHLNRYFPWLBJ-WFASDCNBSA-N 0 3 375.433 -1.103 20 0 GAADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001158992649 1073943594 /nfs/dbraw/zinc/94/35/94/1073943594.db2.gz YPDICGJTBDCOBD-BSJMDQAVSA-N 0 3 385.490 -1.300 20 0 GAADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001158992658 1073943589 /nfs/dbraw/zinc/94/35/89/1073943589.db2.gz YPDICGJTBDCOBD-NVIBNEEGSA-N 0 3 385.490 -1.300 20 0 GAADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001158992663 1073943602 /nfs/dbraw/zinc/94/36/02/1073943602.db2.gz YPDICGJTBDCOBD-QYRWSJFESA-N 0 3 385.490 -1.300 20 0 GAADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001158992668 1073943555 /nfs/dbraw/zinc/94/35/55/1073943555.db2.gz YPDICGJTBDCOBD-VEWLYKBQSA-N 0 3 385.490 -1.300 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001159047382 1073943645 /nfs/dbraw/zinc/94/36/45/1073943645.db2.gz LBFXCSNOZFQYAG-MQLXINIDSA-N 0 3 397.476 -1.964 20 0 GAADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001159077659 1073944795 /nfs/dbraw/zinc/94/47/95/1073944795.db2.gz RXMZGMFODBHDGU-DAYGRLMNSA-N 0 3 396.488 -1.428 20 0 GAADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001159077673 1073944873 /nfs/dbraw/zinc/94/48/73/1073944873.db2.gz RXMZGMFODBHDGU-MPGHIAIKSA-N 0 3 396.488 -1.428 20 0 GAADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001159077675 1073945007 /nfs/dbraw/zinc/94/50/07/1073945007.db2.gz RXMZGMFODBHDGU-RKVPGOIHSA-N 0 3 396.488 -1.428 20 0 GAADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001159077677 1073944812 /nfs/dbraw/zinc/94/48/12/1073944812.db2.gz RXMZGMFODBHDGU-VKJFTORMSA-N 0 3 396.488 -1.428 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001159084913 1073944782 /nfs/dbraw/zinc/94/47/82/1073944782.db2.gz OFBOEUWKUIEMMI-XYJRDEOASA-N 0 3 391.432 -2.166 20 0 GAADHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]21 ZINC001159108465 1073945144 /nfs/dbraw/zinc/94/51/44/1073945144.db2.gz DFVQOLSPBPAHRW-FPYNETTCSA-N 0 3 383.449 -2.307 20 0 GAADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)Cc3cncn3C)C2)C1 ZINC001159122848 1073945774 /nfs/dbraw/zinc/94/57/74/1073945774.db2.gz BJOIQKLATCEXNZ-LPHOPBHVSA-N 0 3 392.504 -1.023 20 0 GAADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](N)Cc3cncn3C)C2)C1 ZINC001159122849 1073945673 /nfs/dbraw/zinc/94/56/73/1073945673.db2.gz BJOIQKLATCEXNZ-QFBILLFUSA-N 0 3 392.504 -1.023 20 0 GAADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H](N)Cc3c[nH]cn3)C2)C1 ZINC001159123048 1073945634 /nfs/dbraw/zinc/94/56/34/1073945634.db2.gz CYCBUTUPCQEKLQ-CRAIPNDOSA-N 0 3 378.477 -1.034 20 0 GAADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](N)Cc3c[nH]cn3)C2)C1 ZINC001159123049 1073945686 /nfs/dbraw/zinc/94/56/86/1073945686.db2.gz CYCBUTUPCQEKLQ-MAUKXSAKSA-N 0 3 378.477 -1.034 20 0 GAADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](N)Cc3c[nH]cn3)C2)C1 ZINC001159123050 1073945862 /nfs/dbraw/zinc/94/58/62/1073945862.db2.gz CYCBUTUPCQEKLQ-QAPCUYQASA-N 0 3 378.477 -1.034 20 0 GAADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)Cc3c[nH]cn3)C2)C1 ZINC001159123051 1073945818 /nfs/dbraw/zinc/94/58/18/1073945818.db2.gz CYCBUTUPCQEKLQ-YJBOKZPZSA-N 0 3 378.477 -1.034 20 0 GAADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]3COC4(CNC4)CN3)C2)C1 ZINC001159123523 1073945877 /nfs/dbraw/zinc/94/58/77/1073945877.db2.gz JHEABEMTYYTJNG-CRAIPNDOSA-N 0 3 395.504 -1.996 20 0 GAADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3COC4(CNC4)CN3)C2)C1 ZINC001159123525 1073945896 /nfs/dbraw/zinc/94/58/96/1073945896.db2.gz JHEABEMTYYTJNG-MAUKXSAKSA-N 0 3 395.504 -1.996 20 0 GAADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]3COC4(CNC4)CN3)C2)C1 ZINC001159123526 1073945712 /nfs/dbraw/zinc/94/57/12/1073945712.db2.gz JHEABEMTYYTJNG-QAPCUYQASA-N 0 3 395.504 -1.996 20 0 GAADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3COC4(CNC4)CN3)C2)C1 ZINC001159123527 1073945754 /nfs/dbraw/zinc/94/57/54/1073945754.db2.gz JHEABEMTYYTJNG-YJBOKZPZSA-N 0 3 395.504 -1.996 20 0 GAADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](N)CCCNC(N)=O)C2)C1 ZINC001159124910 1073946363 /nfs/dbraw/zinc/94/63/63/1073946363.db2.gz RWIFITJJINIRSA-KDOFPFPSSA-N 0 3 398.508 -1.551 20 0 GAADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H](N)CCCNC(N)=O)C2)C1 ZINC001159124911 1073946554 /nfs/dbraw/zinc/94/65/54/1073946554.db2.gz RWIFITJJINIRSA-RDTXWAMCSA-N 0 3 398.508 -1.551 20 0 GAADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](N)CC[S@](C)=O)C2)C1 ZINC001159126977 1073947335 /nfs/dbraw/zinc/94/73/35/1073947335.db2.gz RFYFQNZPEFWSMO-CHLCXMBXSA-N 0 3 388.534 -1.231 20 0 GAADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)CC[S@](C)=O)C2)C1 ZINC001159126988 1073947274 /nfs/dbraw/zinc/94/72/74/1073947274.db2.gz RFYFQNZPEFWSMO-QAPORCKPSA-N 0 3 388.534 -1.231 20 0 GAADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)CC[S@@](C)=O)C2)C1 ZINC001159126993 1073947446 /nfs/dbraw/zinc/94/74/46/1073947446.db2.gz RFYFQNZPEFWSMO-SJUHQFKNSA-N 0 3 388.534 -1.231 20 0 GAADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](N)CC[S@@](C)=O)C2)C1 ZINC001159126997 1073947298 /nfs/dbraw/zinc/94/72/98/1073947298.db2.gz RFYFQNZPEFWSMO-WZXMGIQQSA-N 0 3 388.534 -1.231 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001159135778 1073947381 /nfs/dbraw/zinc/94/73/81/1073947381.db2.gz ZJWZUELQUKAQFO-QCEMKRCNSA-N 0 3 388.472 -1.036 20 0 GAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159159191 1073947405 /nfs/dbraw/zinc/94/74/05/1073947405.db2.gz YCPAAKWKXFRKAF-ZFWWWQNUSA-N 0 3 378.477 -1.312 20 0 GAADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CN)CC3)C1=O ZINC001159180505 1073947390 /nfs/dbraw/zinc/94/73/90/1073947390.db2.gz DQBDIJJRELQWQG-BLLLJJGKSA-N 0 3 387.506 -1.995 20 0 GAADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CN)CC3)C1=O ZINC001159180509 1073947250 /nfs/dbraw/zinc/94/72/50/1073947250.db2.gz DQBDIJJRELQWQG-LRDDRELGSA-N 0 3 387.506 -1.995 20 0 GAADHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@@H]21 ZINC001159191941 1073947966 /nfs/dbraw/zinc/94/79/66/1073947966.db2.gz KIZUTHROFAFXGI-BYNSBNAKSA-N 0 3 381.477 -1.549 20 0 GAADHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@@H]21 ZINC001159191942 1073947954 /nfs/dbraw/zinc/94/79/54/1073947954.db2.gz KIZUTHROFAFXGI-ZQDZILKHSA-N 0 3 381.477 -1.549 20 0 GAADHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H](N)CCCNC(N)=O)C[C@@H]21 ZINC001159191943 1073948056 /nfs/dbraw/zinc/94/80/56/1073948056.db2.gz KJZGAOSRMGSYFB-IGQOVBAYSA-N 0 3 384.481 -1.103 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159227474 1073948691 /nfs/dbraw/zinc/94/86/91/1073948691.db2.gz HFGOQVFVVYNHHU-PYJNHQTQSA-N 0 3 379.461 -1.304 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273754 1073949286 /nfs/dbraw/zinc/94/92/86/1073949286.db2.gz VNZGJWYGHVFYHD-RVMXOQNASA-N 0 3 391.432 -2.400 20 0 GAADHN Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]32)nn1 ZINC001159297247 1073949166 /nfs/dbraw/zinc/94/91/66/1073949166.db2.gz IELCHOAVYHGMGK-MCIONIFRSA-N 0 3 377.449 -1.023 20 0 GAADHN CCOC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)Cc2cnn(C)c21 ZINC001159404308 1073950133 /nfs/dbraw/zinc/95/01/33/1073950133.db2.gz YRLQZZRMPRVGNI-DRZSPHRISA-N 0 3 380.449 -1.410 20 0 GAADHN CCOC[C@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)Cc2cnn(C)c21 ZINC001159404309 1073950028 /nfs/dbraw/zinc/95/00/28/1073950028.db2.gz YRLQZZRMPRVGNI-UHTWSYAYSA-N 0 3 380.449 -1.410 20 0 GAADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](N)CCCNC(N)=O)CC3)CC1 ZINC001159417533 1073950220 /nfs/dbraw/zinc/95/02/20/1073950220.db2.gz UGADEXWLHHJSSZ-OAHLLOKOSA-N 0 3 392.508 -1.252 20 0 GAADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCN2C(=O)CN)CC3)CC1 ZINC001159424278 1073950169 /nfs/dbraw/zinc/95/01/69/1073950169.db2.gz IHGCCHAQGUEZAU-INIZCTEOSA-N 0 3 389.504 -1.078 20 0 GAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001159426596 1073950104 /nfs/dbraw/zinc/95/01/04/1073950104.db2.gz YJSNOSLBWDXNLA-ZFWWWQNUSA-N 0 3 393.492 -2.203 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159437050 1073950719 /nfs/dbraw/zinc/95/07/19/1073950719.db2.gz RDWOCWWPJWBGIU-DOCVPZNWSA-N 0 3 382.461 -1.121 20 0 GAADHN Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C3)n1 ZINC001159471238 1073951337 /nfs/dbraw/zinc/95/13/37/1073951337.db2.gz FVUQSRDIYAICHL-LOMUDGDOSA-N 0 3 380.405 -2.188 20 0 GAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491304 1073951591 /nfs/dbraw/zinc/95/15/91/1073951591.db2.gz BXIAGPFZRPDICA-ONGXEEELSA-N 0 3 380.405 -2.451 20 0 GAADHN O=C([C@H]1Cn2nccc2CN(C(=O)[C@H]2COC3(CNC3)CN2)C1)N1CCCC1 ZINC001159492850 1073952179 /nfs/dbraw/zinc/95/21/79/1073952179.db2.gz JTFIABDWNBCZOF-GDBMZVCRSA-N 0 3 388.472 -1.206 20 0 GAADHN O=C([C@@H]1Cn2nccc2CN(C(=O)[C@H]2COC3(CNC3)CN2)C1)N1CCCC1 ZINC001159492851 1073952032 /nfs/dbraw/zinc/95/20/32/1073952032.db2.gz JTFIABDWNBCZOF-GOEBONIOSA-N 0 3 388.472 -1.206 20 0 GAADHN O=C([C@@H]1Cn2nccc2CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1)N1CCCC1 ZINC001159492852 1073951987 /nfs/dbraw/zinc/95/19/87/1073951987.db2.gz JTFIABDWNBCZOF-HOCLYGCPSA-N 0 3 388.472 -1.206 20 0 GAADHN O=C([C@H]1Cn2nccc2CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1)N1CCCC1 ZINC001159492853 1073951933 /nfs/dbraw/zinc/95/19/33/1073951933.db2.gz JTFIABDWNBCZOF-ZBFHGGJFSA-N 0 3 388.472 -1.206 20 0 GAADHN NC(=O)NCCC[C@@H](N)C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493436 1073952019 /nfs/dbraw/zinc/95/20/19/1073952019.db2.gz OTHQPTUQQKWLIA-LLVKDONJSA-N 0 3 379.421 -1.500 20 0 GAADHN O=C(c1n[nH]c2c1CN(C(=O)[C@H]1COC3(CNC3)CN1)C2)N1CCOCC1 ZINC001159493831 1073952056 /nfs/dbraw/zinc/95/20/56/1073952056.db2.gz ROBDPQUSFZBJCU-CYBMUJFWSA-N 0 3 376.417 -1.945 20 0 GAADHN O=C(c1n[nH]c2c1CN(C(=O)[C@@H]1COC3(CNC3)CN1)C2)N1CCOCC1 ZINC001159493832 1073952201 /nfs/dbraw/zinc/95/22/01/1073952201.db2.gz ROBDPQUSFZBJCU-ZDUSSCGKSA-N 0 3 376.417 -1.945 20 0 GAADHN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001159519025 1073952758 /nfs/dbraw/zinc/95/27/58/1073952758.db2.gz BKSYHOCNWWWMPG-CYBMUJFWSA-N 0 3 377.449 -1.681 20 0 GAADHN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001159519026 1073952828 /nfs/dbraw/zinc/95/28/28/1073952828.db2.gz BKSYHOCNWWWMPG-ZDUSSCGKSA-N 0 3 377.449 -1.681 20 0 GAADHN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001159519788 1073952794 /nfs/dbraw/zinc/95/27/94/1073952794.db2.gz MMZRJULLMMQGRV-GFCCVEGCSA-N 0 3 380.453 -1.236 20 0 GAADHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)O2)n1 ZINC001159519864 1073952730 /nfs/dbraw/zinc/95/27/30/1073952730.db2.gz PBXKVGDJJSEQFA-FXAPSIEYSA-N 0 3 394.432 -1.094 20 0 GAADHN CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001159540527 1073953922 /nfs/dbraw/zinc/95/39/22/1073953922.db2.gz BBMLFUVYKFMICS-RKVPGOIHSA-N 0 3 380.489 -1.046 20 0 GAADHN CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001159540532 1073953777 /nfs/dbraw/zinc/95/37/77/1073953777.db2.gz BBMLFUVYKFMICS-VKJFTORMSA-N 0 3 380.489 -1.046 20 0 GAADHN NC[C@H](N)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540549 1073953881 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N=c1nc2c(ncn2COCCO)c(N)n1C(=O)CN1CCCC[C@H](N)C1=O ZINC001218704225 1074024323 /nfs/dbraw/zinc/02/43/23/1074024323.db2.gz NEHDVTKBJUFXEI-JTQLQIEISA-N 0 3 392.420 -1.759 20 0 GAADHN CCOc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc(C(=O)OC)n1 ZINC001218716983 1074024508 /nfs/dbraw/zinc/02/45/08/1074024508.db2.gz LIAGGCDCFBIODS-WPRPVWTQSA-N 0 3 381.389 -1.087 20 0 GAADHN CC(=O)N1CCC(n2nccc2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1 ZINC001218735767 1074024341 /nfs/dbraw/zinc/02/43/41/1074024341.db2.gz RGJLTMYNTSRMLU-GWCFXTLKSA-N 0 3 393.448 -1.288 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CC(F)(F)F)c1ncc(N)cn1 ZINC001218739324 1074024428 /nfs/dbraw/zinc/02/44/28/1074024428.db2.gz BCOJABIHIUSTNV-XPUUQOCRSA-N 0 3 377.327 -1.339 20 0 GAADHN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccnn1-c1ccncc1 ZINC001218741448 1074024836 /nfs/dbraw/zinc/02/48/36/1074024836.db2.gz ONYKPIIUXHTDND-UHFFFAOYSA-N 0 3 388.388 -2.487 20 0 GAADHN O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1COC2(CNC2)CN1 ZINC001218770074 1074025126 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CNS(=O)(=O)CCc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc1 ZINC001218893198 1074029934 /nfs/dbraw/zinc/02/99/34/1074029934.db2.gz ZMWGLHBRUFEQRV-GWCFXTLKSA-N 0 3 399.473 -1.576 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C ZINC001218894465 1074029901 /nfs/dbraw/zinc/02/99/01/1074029901.db2.gz QZXBUHZVLNJJAY-ONGXEEELSA-N 0 3 385.446 -1.417 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218901037 1074029841 /nfs/dbraw/zinc/02/98/41/1074029841.db2.gz BHZJTWJYEWIRQZ-XDTLVQLUSA-N 0 3 377.401 -1.017 20 0 GAADHN COC(=O)c1n[nH]c2cccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c21 ZINC001218931924 1074029920 /nfs/dbraw/zinc/02/99/20/1074029920.db2.gz MBGCZBUKRVKVRC-XVKPBYJWSA-N 0 3 376.373 -1.005 20 0 GAADHN COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218933925 1074030171 /nfs/dbraw/zinc/03/01/71/1074030171.db2.gz AMLOLQTVASOGCQ-KWQFWETISA-N 0 3 394.384 -1.094 20 0 GAADHN 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C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001221155479 1074058023 /nfs/dbraw/zinc/05/80/23/1074058023.db2.gz MFUQPTICNLPOBD-FZMZJTMJSA-N 0 3 390.444 -1.070 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC1(c2ccncc2)CCOCC1 ZINC001221174459 1074058232 /nfs/dbraw/zinc/05/82/32/1074058232.db2.gz CSYQMEXRGUFNCR-JSGCOSHPSA-N 0 3 377.445 -1.047 20 0 GAADHN CC(C)CC1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CCS(=O)(=O)CC1 ZINC001221217125 1074058253 /nfs/dbraw/zinc/05/82/53/1074058253.db2.gz WZXGUKCGELJRBC-RYUDHWBXSA-N 0 3 390.506 -1.197 20 0 GAADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)N)C(N)=O ZINC001221232681 1074058783 /nfs/dbraw/zinc/05/87/83/1074058783.db2.gz NMONLWFGSKRCMX-WOPDTQHZSA-N 0 3 389.522 -1.296 20 0 GAADHN COc1ccc2c(C[C@H](N)C(=O)N3CN[C@H](N)[C@H]4NCN[C@H]43)cc(=O)oc2c1 ZINC001221265596 1074058859 /nfs/dbraw/zinc/05/88/59/1074058859.db2.gz NEPMSNDMVWQAQR-IEAZIUSSSA-N 0 3 388.428 -1.810 20 0 GAADHN COc1ccc2c(C[C@H](N)C(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)cc(=O)oc2c1 ZINC001221265597 1074058742 /nfs/dbraw/zinc/05/87/42/1074058742.db2.gz NEPMSNDMVWQAQR-NKKGCODLSA-N 0 3 388.428 -1.810 20 0 GAADHN COc1ccc2c(C[C@H](N)C(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)cc(=O)oc2c1 ZINC001221265598 1074058628 /nfs/dbraw/zinc/05/86/28/1074058628.db2.gz NEPMSNDMVWQAQR-OSMBCOQSSA-N 0 3 388.428 -1.810 20 0 GAADHN COc1ccc2c(C[C@H](N)C(=O)N3CN[C@H](N)[C@@H]4NCN[C@H]43)cc(=O)oc2c1 ZINC001221265599 1074058982 /nfs/dbraw/zinc/05/89/82/1074058982.db2.gz NEPMSNDMVWQAQR-STECZYCISA-N 0 3 388.428 -1.810 20 0 GAADHN CC1(C)OCc2cc(C[C@H](N)C(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)ccc2O1 ZINC001221266011 1074058884 /nfs/dbraw/zinc/05/88/84/1074058884.db2.gz RNJCTUSOKMZWQZ-DRPJVOAASA-N 0 3 376.461 -1.279 20 0 GAADHN CC1(C)OCc2cc(C[C@H](N)C(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)ccc2O1 ZINC001221266016 1074058684 /nfs/dbraw/zinc/05/86/84/1074058684.db2.gz RNJCTUSOKMZWQZ-QCEMKRCNSA-N 0 3 376.461 -1.279 20 0 GAADHN CC1(C)OCc2cc(C[C@H](N)C(=O)N3CN[C@H](N)[C@@H]4NCN[C@H]43)ccc2O1 ZINC001221266017 1074058945 /nfs/dbraw/zinc/05/89/45/1074058945.db2.gz RNJCTUSOKMZWQZ-TUUVXOQKSA-N 0 3 376.461 -1.279 20 0 GAADHN CC1(C)OCc2cc(C[C@H](N)C(=O)N3CN[C@H](N)[C@H]4NCN[C@H]43)ccc2O1 ZINC001221266019 1074059318 /nfs/dbraw/zinc/05/93/18/1074059318.db2.gz RNJCTUSOKMZWQZ-UKMLZYKCSA-N 0 3 376.461 -1.279 20 0 GAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H](O)CF)C(=O)CF ZINC001221335955 1074059293 /nfs/dbraw/zinc/05/92/93/1074059293.db2.gz CMELPWLFJYANFV-MIJXAVMKSA-N 0 3 394.419 -1.666 20 0 GAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H](O)CF)C(=O)CF ZINC001221335957 1074059123 /nfs/dbraw/zinc/05/91/23/1074059123.db2.gz CMELPWLFJYANFV-RMIALFOJSA-N 0 3 394.419 -1.666 20 0 GAADHN C[S@](=O)CC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347622 1074059973 /nfs/dbraw/zinc/05/99/73/1074059973.db2.gz AQRFCKVHNMNNRH-DILDSQINSA-N 0 3 398.489 -1.991 20 0 GAADHN C[S@](=O)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347622 1074059967 /nfs/dbraw/zinc/05/99/67/1074059967.db2.gz AQRFCKVHNMNNRH-DILDSQINSA-N 0 3 398.489 -1.991 20 0 GAADHN C[S@@](=O)CC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347632 1074059948 /nfs/dbraw/zinc/05/99/48/1074059948.db2.gz AQRFCKVHNMNNRH-DYSICVKHSA-N 0 3 398.489 -1.991 20 0 GAADHN C[S@@](=O)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347632 1074059941 /nfs/dbraw/zinc/05/99/41/1074059941.db2.gz AQRFCKVHNMNNRH-DYSICVKHSA-N 0 3 398.489 -1.991 20 0 GAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001221347743 1074060039 /nfs/dbraw/zinc/06/00/39/1074060039.db2.gz CIMGMTPXZASYRP-IHRRRGAJSA-N 0 3 388.432 -1.794 20 0 GAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001221347744 1074059808 /nfs/dbraw/zinc/05/98/08/1074059808.db2.gz CIMGMTPXZASYRP-RDBSUJKOSA-N 0 3 388.432 -1.794 20 0 GAADHN COC(=O)c1ccc([C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc1 ZINC001221366851 1074061025 /nfs/dbraw/zinc/06/10/25/1074061025.db2.gz USBYSZODHFMXCO-XDTLVQLUSA-N 0 3 380.401 -1.670 20 0 GAADHN CC[C@@H](CO)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001221380943 1074060942 /nfs/dbraw/zinc/06/09/42/1074060942.db2.gz WEIXLSMODCFFAX-ASHKBJFXSA-N 0 3 390.456 -1.225 20 0 GAADHN CC[C@H](CO)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001221380948 1074061083 /nfs/dbraw/zinc/06/10/83/1074061083.db2.gz WEIXLSMODCFFAX-OXIQGZBJSA-N 0 3 390.456 -1.225 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1ccc(C(=O)N(C)C)cc1 ZINC001221393039 1074061482 /nfs/dbraw/zinc/06/14/82/1074061482.db2.gz QYEKBDMWSGAZOM-FZMZJTMJSA-N 0 3 377.445 -1.246 20 0 GAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnn(C)c(=O)c1Br ZINC001221402186 1074061726 /nfs/dbraw/zinc/06/17/26/1074061726.db2.gz XYDQOZQSSIKLJG-WDSKDSINSA-N 0 3 389.210 -1.811 20 0 GAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC(O)(c2ncnn2C)C1 ZINC001221639449 1074062200 /nfs/dbraw/zinc/06/22/00/1074062200.db2.gz OMHPYZFLIILSPV-CYBMUJFWSA-N 0 3 379.465 -1.029 20 0 GAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC(O)(c2ncnn2C)C1 ZINC001221639450 1074062022 /nfs/dbraw/zinc/06/20/22/1074062022.db2.gz OMHPYZFLIILSPV-ZDUSSCGKSA-N 0 3 379.465 -1.029 20 0 GAADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC001226058966 1074067797 /nfs/dbraw/zinc/06/77/97/1074067797.db2.gz ZFYRNONTGWZYII-UHFFFAOYSA-N 0 3 380.493 -1.066 20 0 GAADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)O1 ZINC001228576086 1074071150 /nfs/dbraw/zinc/07/11/50/1074071150.db2.gz UWMKCCAFVPQMKE-LPWJVIDDSA-N 0 3 383.449 -1.166 20 0 GAADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001228586000 1074071515 /nfs/dbraw/zinc/07/15/15/1074071515.db2.gz XUDNYVDEPCGNCD-FVCCEPFGSA-N 0 3 383.449 -1.118 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(=O)N1CCCC1 ZINC001228632116 1074071496 /nfs/dbraw/zinc/07/14/96/1074071496.db2.gz CIYQHSRCBVWVPS-LXTVHRRPSA-N 0 3 393.488 -1.137 20 0 GAADHN CNC(=O)CN1C(=O)CC[C@@]12CCCN(Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231767467 1074077144 /nfs/dbraw/zinc/07/71/44/1074077144.db2.gz IJJBOZLMXKVWGX-GOSISDBHSA-N 0 3 377.445 -1.213 20 0 GAADHN CNC(=O)CN1C(=O)CC[C@]12CCCN(Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231767470 1074077239 /nfs/dbraw/zinc/07/72/39/1074077239.db2.gz IJJBOZLMXKVWGX-SFHVURJKSA-N 0 3 377.445 -1.213 20 0 GAADHN Cn1cc(CN2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)c(=O)n(C)c1=O ZINC001231768183 1074077165 /nfs/dbraw/zinc/07/71/65/1074077165.db2.gz PLPGPWMUYTYAHI-RBSFLKMASA-N 0 3 378.429 -1.325 20 0 GAADHN COCCN1CCO[C@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)CC[C@H]2C1=O ZINC001231768486 1074076951 /nfs/dbraw/zinc/07/69/51/1074076951.db2.gz JEMSMZDMKRVTRK-CABCVRRESA-N 0 3 380.445 -1.220 20 0 GAADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(CCO)CC[C@@H]12 ZINC001235493595 1074085608 /nfs/dbraw/zinc/08/56/08/1074085608.db2.gz OIWSUSUOKDICEC-ZBFHGGJFSA-N 0 3 375.491 -1.046 20 0 GAADHN NCCS(=O)(=O)N[C@H]1CCc2c(ccc(=O)n2CCN2CCOCC2)C1 ZINC001238364656 1074089862 /nfs/dbraw/zinc/08/98/62/1074089862.db2.gz WDKSXHICWHOYDW-HNNXBMFYSA-N 0 3 384.502 -1.084 20 0 GAADHN NCCS(=O)(=O)N[C@@H]1CCc2c(ccc(=O)n2CCN2CCOCC2)C1 ZINC001238364667 1074089959 /nfs/dbraw/zinc/08/99/59/1074089959.db2.gz WDKSXHICWHOYDW-OAHLLOKOSA-N 0 3 384.502 -1.084 20 0 GAADHN NCCS(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001238594643 1074092096 /nfs/dbraw/zinc/09/20/96/1074092096.db2.gz GNQLASOSNWKPRV-UHFFFAOYSA-N 0 3 376.504 -1.129 20 0 GAADHN NCCS(=O)(=O)NCCOCCOCCOCCOCCOCCO ZINC001238594786 1074091937 /nfs/dbraw/zinc/09/19/37/1074091937.db2.gz IKHFTNIMMZIABZ-UHFFFAOYSA-N 0 3 388.483 -2.060 20 0 GAADHN NCCS(=O)(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001238595814 1074092033 /nfs/dbraw/zinc/09/20/33/1074092033.db2.gz PBCAYSGBZDFFFJ-GVXVVHGQSA-N 0 3 393.535 -1.294 20 0 GAADHN NCCS(=O)(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001239073423 1074092420 /nfs/dbraw/zinc/09/24/20/1074092420.db2.gz BYIVBAHVBRGCEA-UHFFFAOYSA-N 0 3 386.478 -1.089 20 0 GAADHN CN(C)c1ncc2c(n1)[C@H]1CN(S(=O)(=O)CCN)C[C@H]1S(=O)(=O)C2 ZINC001239073480 1074092506 /nfs/dbraw/zinc/09/25/06/1074092506.db2.gz CZDQAKGWEVQXKF-WDEREUQCSA-N 0 3 375.476 -1.473 20 0 GAADHN NCCS(=O)(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001239077762 1074092525 /nfs/dbraw/zinc/09/25/25/1074092525.db2.gz NOLACOLPUSMSGY-JHJVBQTASA-N 0 3 395.503 -2.131 20 0 GAADHN NCCS(=O)(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001239077763 1074092643 /nfs/dbraw/zinc/09/26/43/1074092643.db2.gz NOLACOLPUSMSGY-YNEHKIRRSA-N 0 3 395.503 -2.131 20 0 GAADHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(S(=O)(=O)CCN)C2 ZINC001239077771 1074092482 /nfs/dbraw/zinc/09/24/82/1074092482.db2.gz NUTIADKCNSHITM-HNNXBMFYSA-N 0 3 384.462 -1.652 20 0 GAADHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(S(=O)(=O)CCN)C2 ZINC001239077772 1074092398 /nfs/dbraw/zinc/09/23/98/1074092398.db2.gz 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ZINC001571286890 945962202 /nfs/dbraw/zinc/96/22/02/945962202.db2.gz URYUVNRYRFZWHF-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571286890 945962194 /nfs/dbraw/zinc/96/21/94/945962194.db2.gz URYUVNRYRFZWHF-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2ccncc2-c2nn[nH]n2)C1 ZINC001571286959 945966143 /nfs/dbraw/zinc/96/61/43/945966143.db2.gz WRXQAFSARJNMSI-DOMZBBRYSA-N 0 3 388.432 -1.086 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2ccncc2-c2nn[nH]n2)C1 ZINC001571286960 945965865 /nfs/dbraw/zinc/96/58/65/945965865.db2.gz WRXQAFSARJNMSI-IUODEOHRSA-N 0 3 388.432 -1.086 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2ccncc2-c2nn[nH]n2)C1 ZINC001571286961 945965480 /nfs/dbraw/zinc/96/54/80/945965480.db2.gz WRXQAFSARJNMSI-SWLSCSKDSA-N 0 3 388.432 -1.086 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@H]2COCCN2c2ccncc2-c2nn[nH]n2)C1 ZINC001571286962 945964940 /nfs/dbraw/zinc/96/49/40/945964940.db2.gz WRXQAFSARJNMSI-WFASDCNBSA-N 0 3 388.432 -1.086 20 0 GAADHN CC(=O)N(C)CC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573405349 948043351 /nfs/dbraw/zinc/04/33/51/948043351.db2.gz POWTYZOHJHWKJA-UHFFFAOYSA-N 0 3 387.448 -1.022 20 0 GAADHN CC(=O)NCC(=O)N(C)CCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573502807 946390681 /nfs/dbraw/zinc/39/06/81/946390681.db2.gz YXMRAUBBXHTZBD-UHFFFAOYSA-N 0 3 387.448 -1.022 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573514681 946532047 /nfs/dbraw/zinc/53/20/47/946532047.db2.gz CKTHIUHNBSZDJT-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573514681 946532039 /nfs/dbraw/zinc/53/20/39/946532039.db2.gz CKTHIUHNBSZDJT-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573514683 946532516 /nfs/dbraw/zinc/53/25/16/946532516.db2.gz CKTHIUHNBSZDJT-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573514683 946532509 /nfs/dbraw/zinc/53/25/09/946532509.db2.gz CKTHIUHNBSZDJT-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573515004 946538723 /nfs/dbraw/zinc/53/87/23/946538723.db2.gz GLOHJNZBYLJZIR-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573515004 946538713 /nfs/dbraw/zinc/53/87/13/946538713.db2.gz GLOHJNZBYLJZIR-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573515005 946538267 /nfs/dbraw/zinc/53/82/67/946538267.db2.gz GLOHJNZBYLJZIR-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573515005 946538256 /nfs/dbraw/zinc/53/82/56/946538256.db2.gz GLOHJNZBYLJZIR-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573515256 946540069 /nfs/dbraw/zinc/54/00/69/946540069.db2.gz JRWMQHCOADRVCP-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573515256 946540063 /nfs/dbraw/zinc/54/00/63/946540063.db2.gz JRWMQHCOADRVCP-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573515257 946540586 /nfs/dbraw/zinc/54/05/86/946540586.db2.gz JRWMQHCOADRVCP-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573515257 946540579 /nfs/dbraw/zinc/54/05/79/946540579.db2.gz JRWMQHCOADRVCP-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573515487 946545869 /nfs/dbraw/zinc/54/58/69/946545869.db2.gz NBWNAFSCUYZDTM-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573515489 946546188 /nfs/dbraw/zinc/54/61/88/946546188.db2.gz NBWNAFSCUYZDTM-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573516166 946557800 /nfs/dbraw/zinc/55/78/00/946557800.db2.gz VOIAXCFOGJEWNX-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573516166 946557794 /nfs/dbraw/zinc/55/77/94/946557794.db2.gz VOIAXCFOGJEWNX-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573516168 946557532 /nfs/dbraw/zinc/55/75/32/946557532.db2.gz VOIAXCFOGJEWNX-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573516168 946557526 /nfs/dbraw/zinc/55/75/26/946557526.db2.gz VOIAXCFOGJEWNX-NSHDSACASA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573516188 946556954 /nfs/dbraw/zinc/55/69/54/946556954.db2.gz WAFFRAQMJTUSHE-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573516188 946556948 /nfs/dbraw/zinc/55/69/48/946556948.db2.gz WAFFRAQMJTUSHE-LLVKDONJSA-N 0 3 388.432 -1.287 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573516410 946562720 /nfs/dbraw/zinc/56/27/20/946562720.db2.gz YXJRLRRNOCHIGI-UHFFFAOYSA-N 0 3 388.432 -1.333 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573516410 946562711 /nfs/dbraw/zinc/56/27/11/946562711.db2.gz YXJRLRRNOCHIGI-UHFFFAOYSA-N 0 3 388.432 -1.333 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001573537426 946747471 /nfs/dbraw/zinc/74/74/71/946747471.db2.gz AKVUCSXDRKSSTF-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001573537426 946747464 /nfs/dbraw/zinc/74/74/64/946747464.db2.gz AKVUCSXDRKSSTF-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001573537427 946747866 /nfs/dbraw/zinc/74/78/66/946747866.db2.gz AKVUCSXDRKSSTF-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001573537427 946747862 /nfs/dbraw/zinc/74/78/62/946747862.db2.gz AKVUCSXDRKSSTF-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001573537614 946752241 /nfs/dbraw/zinc/75/22/41/946752241.db2.gz HAIJAWWJPPNQAA-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001573537614 946752229 /nfs/dbraw/zinc/75/22/29/946752229.db2.gz HAIJAWWJPPNQAA-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)C(N)=O ZINC001573537625 946755888 /nfs/dbraw/zinc/75/58/88/946755888.db2.gz HOZJSTCNDPWECO-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)C(N)=O ZINC001573537625 946755874 /nfs/dbraw/zinc/75/58/74/946755874.db2.gz HOZJSTCNDPWECO-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)C(N)=O ZINC001573537626 946756414 /nfs/dbraw/zinc/75/64/14/946756414.db2.gz HOZJSTCNDPWECO-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)C(N)=O ZINC001573537626 946756407 /nfs/dbraw/zinc/75/64/07/946756407.db2.gz HOZJSTCNDPWECO-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(N)=O ZINC001573537743 946757144 /nfs/dbraw/zinc/75/71/44/946757144.db2.gz KKVNDLICEZFHMF-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(N)=O ZINC001573537743 946757133 /nfs/dbraw/zinc/75/71/33/946757133.db2.gz KKVNDLICEZFHMF-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001573537933 946760064 /nfs/dbraw/zinc/76/00/64/946760064.db2.gz NFVJHBWTOYVKOF-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001573537933 946760052 /nfs/dbraw/zinc/76/00/52/946760052.db2.gz NFVJHBWTOYVKOF-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001573537934 946759856 /nfs/dbraw/zinc/75/98/56/946759856.db2.gz NFVJHBWTOYVKOF-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001573537934 946759849 /nfs/dbraw/zinc/75/98/49/946759849.db2.gz NFVJHBWTOYVKOF-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001573538250 946766235 /nfs/dbraw/zinc/76/62/35/946766235.db2.gz QZUAVYAQSZNYBG-HZMBPMFUSA-N 0 3 388.432 -1.159 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001573538251 946764837 /nfs/dbraw/zinc/76/48/37/946764837.db2.gz QZUAVYAQSZNYBG-YGRLFVJLSA-N 0 3 388.432 -1.159 20 0 GAADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573692081 948253794 /nfs/dbraw/zinc/25/37/94/948253794.db2.gz MJTADEFOJBKHIS-CMPLNLGQSA-N 0 3 382.446 -1.134 20 0 GAADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573692083 948254762 /nfs/dbraw/zinc/25/47/62/948254762.db2.gz MJTADEFOJBKHIS-JQWIXIFHSA-N 0 3 382.446 -1.134 20 0 GAADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573692085 948254070 /nfs/dbraw/zinc/25/40/70/948254070.db2.gz MJTADEFOJBKHIS-PWSUYJOCSA-N 0 3 382.446 -1.134 20 0 GAADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573692131 948255718 /nfs/dbraw/zinc/25/57/18/948255718.db2.gz MJTADEFOJBKHIS-ZYHUDNBSSA-N 0 3 382.446 -1.134 20 0 GAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574948512 949468762 /nfs/dbraw/zinc/46/87/62/949468762.db2.gz KTJZFBRWYVBGTJ-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574948512 949468746 /nfs/dbraw/zinc/46/87/46/949468746.db2.gz KTJZFBRWYVBGTJ-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574948515 949465960 /nfs/dbraw/zinc/46/59/60/949465960.db2.gz KTJZFBRWYVBGTJ-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574948515 949465952 /nfs/dbraw/zinc/46/59/52/949465952.db2.gz KTJZFBRWYVBGTJ-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574948591 949466177 /nfs/dbraw/zinc/46/61/77/949466177.db2.gz LLIQKCVJANMREG-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574948594 949466268 /nfs/dbraw/zinc/46/62/68/949466268.db2.gz LLIQKCVJANMREG-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574949290 949485119 /nfs/dbraw/zinc/48/51/19/949485119.db2.gz SGUDEWPETNFEGN-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574949290 949485103 /nfs/dbraw/zinc/48/51/03/949485103.db2.gz SGUDEWPETNFEGN-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574949291 949484050 /nfs/dbraw/zinc/48/40/50/949484050.db2.gz SGUDEWPETNFEGN-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574949291 949484036 /nfs/dbraw/zinc/48/40/36/949484036.db2.gz SGUDEWPETNFEGN-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574977591 950120974 /nfs/dbraw/zinc/12/09/74/950120974.db2.gz MBHAESKZZSRTSL-JQWIXIFHSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574977591 950120949 /nfs/dbraw/zinc/12/09/49/950120949.db2.gz MBHAESKZZSRTSL-JQWIXIFHSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574977592 950120498 /nfs/dbraw/zinc/12/04/98/950120498.db2.gz MBHAESKZZSRTSL-PWSUYJOCSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574977592 950120476 /nfs/dbraw/zinc/12/04/76/950120476.db2.gz MBHAESKZZSRTSL-PWSUYJOCSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001575017047 950971862 /nfs/dbraw/zinc/97/18/62/950971862.db2.gz GLOZBWUESILLIF-NXEZZACHSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001575017047 950971844 /nfs/dbraw/zinc/97/18/44/950971844.db2.gz GLOZBWUESILLIF-NXEZZACHSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001575017048 950973089 /nfs/dbraw/zinc/97/30/89/950973089.db2.gz GLOZBWUESILLIF-UWVGGRQHSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001575017048 950973072 /nfs/dbraw/zinc/97/30/72/950973072.db2.gz GLOZBWUESILLIF-UWVGGRQHSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001575017049 950971336 /nfs/dbraw/zinc/97/13/36/950971336.db2.gz GLOZBWUESILLIF-VHSXEESVSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001575017049 950971323 /nfs/dbraw/zinc/97/13/23/950971323.db2.gz GLOZBWUESILLIF-VHSXEESVSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001575017050 950974354 /nfs/dbraw/zinc/97/43/54/950974354.db2.gz GLOZBWUESILLIF-ZJUUUORDSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001575017050 950974333 /nfs/dbraw/zinc/97/43/33/950974333.db2.gz GLOZBWUESILLIF-ZJUUUORDSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575018306 951019761 /nfs/dbraw/zinc/01/97/61/951019761.db2.gz PHNRDTCLUDDMNO-MNOVXSKESA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575018306 951019749 /nfs/dbraw/zinc/01/97/49/951019749.db2.gz PHNRDTCLUDDMNO-MNOVXSKESA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575018308 951019178 /nfs/dbraw/zinc/01/91/78/951019178.db2.gz PHNRDTCLUDDMNO-QWRGUYRKSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575018308 951019169 /nfs/dbraw/zinc/01/91/69/951019169.db2.gz PHNRDTCLUDDMNO-QWRGUYRKSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575041693 951348713 /nfs/dbraw/zinc/34/87/13/951348713.db2.gz AINPTCLMAKXMEC-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575041693 951348703 /nfs/dbraw/zinc/34/87/03/951348703.db2.gz AINPTCLMAKXMEC-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575041694 951348627 /nfs/dbraw/zinc/34/86/27/951348627.db2.gz AINPTCLMAKXMEC-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575041694 951348614 /nfs/dbraw/zinc/34/86/14/951348614.db2.gz AINPTCLMAKXMEC-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575042383 951364011 /nfs/dbraw/zinc/36/40/11/951364011.db2.gz ITIKJCWKIHPFBX-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575042385 951362840 /nfs/dbraw/zinc/36/28/40/951362840.db2.gz ITIKJCWKIHPFBX-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575043484 951394493 /nfs/dbraw/zinc/39/44/93/951394493.db2.gz RVWLAIHYYWCZCO-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575043484 951394483 /nfs/dbraw/zinc/39/44/83/951394483.db2.gz RVWLAIHYYWCZCO-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575043485 951392057 /nfs/dbraw/zinc/39/20/57/951392057.db2.gz RVWLAIHYYWCZCO-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575043485 951392044 /nfs/dbraw/zinc/39/20/44/951392044.db2.gz RVWLAIHYYWCZCO-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575068612 951635800 /nfs/dbraw/zinc/63/58/00/951635800.db2.gz CFJUCDPVHIOMHE-JTQLQIEISA-N 0 3 389.420 -1.891 20 0 GAADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575068613 951635735 /nfs/dbraw/zinc/63/57/35/951635735.db2.gz CFJUCDPVHIOMHE-SNVBAGLBSA-N 0 3 389.420 -1.891 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575069333 951642702 /nfs/dbraw/zinc/64/27/02/951642702.db2.gz HVSZXLMPGGUUMS-JTQLQIEISA-N 0 3 389.420 -1.891 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575069335 951642342 /nfs/dbraw/zinc/64/23/42/951642342.db2.gz HVSZXLMPGGUUMS-SNVBAGLBSA-N 0 3 389.420 -1.891 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575070219 951651006 /nfs/dbraw/zinc/65/10/06/951651006.db2.gz PJZHTAOTMHKYNC-JTQLQIEISA-N 0 3 389.420 -1.891 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575070219 951651003 /nfs/dbraw/zinc/65/10/03/951651003.db2.gz PJZHTAOTMHKYNC-JTQLQIEISA-N 0 3 389.420 -1.891 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575070220 951650590 /nfs/dbraw/zinc/65/05/90/951650590.db2.gz PJZHTAOTMHKYNC-SNVBAGLBSA-N 0 3 389.420 -1.891 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575070220 951650583 /nfs/dbraw/zinc/65/05/83/951650583.db2.gz PJZHTAOTMHKYNC-SNVBAGLBSA-N 0 3 389.420 -1.891 20 0 GAADHN C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575077086 951660937 /nfs/dbraw/zinc/66/09/37/951660937.db2.gz BXDMCOLGPUCGCK-SECBINFHSA-N 0 3 375.393 -1.203 20 0 GAADHN C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575077086 951660932 /nfs/dbraw/zinc/66/09/32/951660932.db2.gz BXDMCOLGPUCGCK-SECBINFHSA-N 0 3 375.393 -1.203 20 0 GAADHN C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575077087 951660099 /nfs/dbraw/zinc/66/00/99/951660099.db2.gz BXDMCOLGPUCGCK-VIFPVBQESA-N 0 3 375.393 -1.203 20 0 GAADHN C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575077087 951660094 /nfs/dbraw/zinc/66/00/94/951660094.db2.gz BXDMCOLGPUCGCK-VIFPVBQESA-N 0 3 375.393 -1.203 20 0 GAADHN C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575079201 951688883 /nfs/dbraw/zinc/68/88/83/951688883.db2.gz MBGRJLIKXVNIGB-GXSJLCMTSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575079201 951688874 /nfs/dbraw/zinc/68/88/74/951688874.db2.gz MBGRJLIKXVNIGB-GXSJLCMTSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575079203 951689068 /nfs/dbraw/zinc/68/90/68/951689068.db2.gz MBGRJLIKXVNIGB-KOLCDFICSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575079203 951689062 /nfs/dbraw/zinc/68/90/62/951689062.db2.gz MBGRJLIKXVNIGB-KOLCDFICSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575079205 951689515 /nfs/dbraw/zinc/68/95/15/951689515.db2.gz MBGRJLIKXVNIGB-MWLCHTKSSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575079205 951689510 /nfs/dbraw/zinc/68/95/10/951689510.db2.gz MBGRJLIKXVNIGB-MWLCHTKSSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001575079207 951689324 /nfs/dbraw/zinc/68/93/24/951689324.db2.gz MBGRJLIKXVNIGB-ONGXEEELSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001575079207 951689319 /nfs/dbraw/zinc/68/93/19/951689319.db2.gz MBGRJLIKXVNIGB-ONGXEEELSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575080202 951706251 /nfs/dbraw/zinc/70/62/51/951706251.db2.gz PRLWMZPBWCUMPW-NXEZZACHSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575080202 951706241 /nfs/dbraw/zinc/70/62/41/951706241.db2.gz PRLWMZPBWCUMPW-NXEZZACHSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575080203 951705516 /nfs/dbraw/zinc/70/55/16/951705516.db2.gz PRLWMZPBWCUMPW-UWVGGRQHSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575080203 951705509 /nfs/dbraw/zinc/70/55/09/951705509.db2.gz PRLWMZPBWCUMPW-UWVGGRQHSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575080204 951706557 /nfs/dbraw/zinc/70/65/57/951706557.db2.gz PRLWMZPBWCUMPW-VHSXEESVSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575080204 951706548 /nfs/dbraw/zinc/70/65/48/951706548.db2.gz PRLWMZPBWCUMPW-VHSXEESVSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001575080205 951706940 /nfs/dbraw/zinc/70/69/40/951706940.db2.gz PRLWMZPBWCUMPW-ZJUUUORDSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001575080205 951706934 /nfs/dbraw/zinc/70/69/34/951706934.db2.gz PRLWMZPBWCUMPW-ZJUUUORDSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001575080963 951717682 /nfs/dbraw/zinc/71/76/82/951717682.db2.gz TUOBCRAKKHDMLI-SECBINFHSA-N 0 3 375.393 -1.298 20 0 GAADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001575080963 951717675 /nfs/dbraw/zinc/71/76/75/951717675.db2.gz TUOBCRAKKHDMLI-SECBINFHSA-N 0 3 375.393 -1.298 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001575080965 951718711 /nfs/dbraw/zinc/71/87/11/951718711.db2.gz TUOBCRAKKHDMLI-VIFPVBQESA-N 0 3 375.393 -1.298 20 0 GAADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001575080965 951718705 /nfs/dbraw/zinc/71/87/05/951718705.db2.gz TUOBCRAKKHDMLI-VIFPVBQESA-N 0 3 375.393 -1.298 20 0 GAADHN C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575081772 951725632 /nfs/dbraw/zinc/72/56/32/951725632.db2.gz VLKOXJLSGRMONN-GXSJLCMTSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575081772 951725625 /nfs/dbraw/zinc/72/56/25/951725625.db2.gz VLKOXJLSGRMONN-GXSJLCMTSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575081773 951725666 /nfs/dbraw/zinc/72/56/66/951725666.db2.gz VLKOXJLSGRMONN-KOLCDFICSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575081773 951725663 /nfs/dbraw/zinc/72/56/63/951725663.db2.gz VLKOXJLSGRMONN-KOLCDFICSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575081775 951725644 /nfs/dbraw/zinc/72/56/44/951725644.db2.gz VLKOXJLSGRMONN-MWLCHTKSSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575081775 951725640 /nfs/dbraw/zinc/72/56/40/951725640.db2.gz VLKOXJLSGRMONN-MWLCHTKSSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001575081777 951725163 /nfs/dbraw/zinc/72/51/63/951725163.db2.gz VLKOXJLSGRMONN-ONGXEEELSA-N 0 3 385.450 -1.444 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001575081777 951725157 /nfs/dbraw/zinc/72/51/57/951725157.db2.gz VLKOXJLSGRMONN-ONGXEEELSA-N 0 3 385.450 -1.444 20 0 GAADHN Cc1nccn1CC(=O)N[C@@H]1COC2(CN(CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577578101 1075304441 /nfs/dbraw/zinc/30/44/41/1075304441.db2.gz LXHDVXGYZFWSHL-ZDUSSCGKSA-N 0 3 388.432 -1.414 20 0 GAADHN Cc1nccn1CC(=O)NCCN1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577578492 1075304218 /nfs/dbraw/zinc/30/42/18/1075304218.db2.gz QTSMUDZHYDSXLM-UHFFFAOYSA-N 0 3 389.464 -1.640 20 0 GAADHN Cc1nccn1CC(=O)NC[C@@]1(C)CN(CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577578776 1075304378 /nfs/dbraw/zinc/30/43/78/1075304378.db2.gz UTXYKDJPEWJEMV-KRWDZBQOSA-N 0 3 390.448 -1.167 20 0 GAADHN Cc1nccn1CC(=O)NC[C@]1(C)CN(CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577578777 1075304183 /nfs/dbraw/zinc/30/41/83/1075304183.db2.gz UTXYKDJPEWJEMV-QGZVFWFLSA-N 0 3 390.448 -1.167 20 0 GAADHN Cc1nccn1CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001577578976 1075304419 /nfs/dbraw/zinc/30/44/19/1075304419.db2.gz ZDZMCZRFNJCPGR-BXUZGUMPSA-N 0 3 379.421 -1.150 20 0 GAADHN Cc1nccn1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001577578977 1075304398 /nfs/dbraw/zinc/30/43/98/1075304398.db2.gz ZDZMCZRFNJCPGR-FZMZJTMJSA-N 0 3 379.421 -1.150 20 0 GAADHN Cc1nccn1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001577578978 1075304273 /nfs/dbraw/zinc/30/42/73/1075304273.db2.gz ZDZMCZRFNJCPGR-RISCZKNCSA-N 0 3 379.421 -1.150 20 0 GAADHN Cc1nccn1CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001577578979 1075304363 /nfs/dbraw/zinc/30/43/63/1075304363.db2.gz ZDZMCZRFNJCPGR-SMDDNHRTSA-N 0 3 379.421 -1.150 20 0 GAADHN Cc1ncn(C)c1C(=O)N(C)C[C@H](O)CN(C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580201 1075304345 /nfs/dbraw/zinc/30/43/45/1075304345.db2.gz FBPGUQFDYBCMTG-GXTWGEPZSA-N 0 3 392.464 -1.084 20 0 GAADHN Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)CN(C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580202 1075304241 /nfs/dbraw/zinc/30/42/41/1075304241.db2.gz FBPGUQFDYBCMTG-JSGCOSHPSA-N 0 3 392.464 -1.084 20 0 GAADHN Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)CN(C)[C@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580203 1075304204 /nfs/dbraw/zinc/30/42/04/1075304204.db2.gz FBPGUQFDYBCMTG-OCCSQVGLSA-N 0 3 392.464 -1.084 20 0 GAADHN Cc1ncn(C)c1C(=O)N(C)C[C@H](O)CN(C)[C@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580204 1075304320 /nfs/dbraw/zinc/30/43/20/1075304320.db2.gz FBPGUQFDYBCMTG-TZMCWYRMSA-N 0 3 392.464 -1.084 20 0 GAADHN Cc1nnc(CC(=O)N2CCC[C@](CO)(NCC(=O)NCc3cn[nH]n3)C2)o1 ZINC001577599678 1075306300 /nfs/dbraw/zinc/30/63/00/1075306300.db2.gz LUZRJKXVHVYREQ-INIZCTEOSA-N 0 3 392.420 -1.702 20 0 GAADHN Cc1nnc(CC(=O)N2CCC[C@@](CO)(NCC(=O)NCc3cn[nH]n3)C2)o1 ZINC001577599679 1075306249 /nfs/dbraw/zinc/30/62/49/1075306249.db2.gz LUZRJKXVHVYREQ-MRXNPFEDSA-N 0 3 392.420 -1.702 20 0 GAADHN Cc1nn(CC(=O)N[C@@]2(CO)CCCN(CCc3c[nH]nn3)C2)c(=O)n1C ZINC001577600015 1075306733 /nfs/dbraw/zinc/30/67/33/1075306733.db2.gz OTVPKAUJRJQPIP-INIZCTEOSA-N 0 3 378.437 -1.806 20 0 GAADHN Cc1nn(CC(=O)N[C@]2(CO)CCCN(CCc3c[nH]nn3)C2)c(=O)n1C ZINC001577600016 1075306699 /nfs/dbraw/zinc/30/66/99/1075306699.db2.gz OTVPKAUJRJQPIP-MRXNPFEDSA-N 0 3 378.437 -1.806 20 0 GAADHN Cc1nn(CC(=O)NCCCN2CCN(Cc3c[nH]nn3)CC2)c(=O)n1C ZINC001577600777 1075306596 /nfs/dbraw/zinc/30/65/96/1075306596.db2.gz ZXCLOLWAZSNMGH-UHFFFAOYSA-N 0 3 377.453 -1.668 20 0 GAADHN Cn1c(=O)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2c[nH]nn2)n(C)c1=O ZINC001577643937 1075308731 /nfs/dbraw/zinc/30/87/31/1075308731.db2.gz DFWLSATVFGTFDZ-HALDLXJZSA-N 0 3 387.444 -1.229 20 0 GAADHN Cn1c(=O)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2cn[nH]n2)n(C)c1=O ZINC001577643937 1075308728 /nfs/dbraw/zinc/30/87/28/1075308728.db2.gz DFWLSATVFGTFDZ-HALDLXJZSA-N 0 3 387.444 -1.229 20 0 GAADHN Cn1c(=O)cc(CNC2(CNC(=O)CCOCc3cn[nH]n3)CC2)n(C)c1=O ZINC001577644176 1075308515 /nfs/dbraw/zinc/30/85/15/1075308515.db2.gz IBBWCIRUWSLTGG-UHFFFAOYSA-N 0 3 391.432 -1.453 20 0 GAADHN Cn1c(=O)ccn(CC(=O)N[C@@]2(CO)CCCN(CCc3c[nH]nn3)C2)c1=O ZINC001577644526 1075309666 /nfs/dbraw/zinc/30/96/66/1075309666.db2.gz UHVWEWYOBZBQTM-KRWDZBQOSA-N 0 3 391.432 -2.149 20 0 GAADHN Cn1c(=O)ccn(CC(=O)N[C@]2(CO)CCCN(CCc3c[nH]nn3)C2)c1=O ZINC001577644527 1075309656 /nfs/dbraw/zinc/30/96/56/1075309656.db2.gz UHVWEWYOBZBQTM-QGZVFWFLSA-N 0 3 391.432 -2.149 20 0 GAADHN Cn1c(=O)ccn(CC(=O)N2CCC3(CN(CCc4cn[nH]n4)C3)CC2)c1=O ZINC001577644686 1075309631 /nfs/dbraw/zinc/30/96/31/1075309631.db2.gz ZJIDCMOPVPXQGM-UHFFFAOYSA-N 0 3 387.444 -1.168 20 0 GAADHN Cn1cc(C(=O)N2CCCO[C@H](CNCc3c[nH]nn3)C2)c(=O)n(C)c1=O ZINC001577647257 1075309997 /nfs/dbraw/zinc/30/99/97/1075309997.db2.gz LKZSZSSGZAFYIO-GFCCVEGCSA-N 0 3 377.405 -1.777 20 0 GAADHN Cn1cc(C(=O)N2CCCO[C@@H](CNCc3c[nH]nn3)C2)c(=O)n(C)c1=O ZINC001577647263 1075309893 /nfs/dbraw/zinc/30/98/93/1075309893.db2.gz LKZSZSSGZAFYIO-LBPRGKRZSA-N 0 3 377.405 -1.777 20 0 GAADHN Cn1cc(C(=O)N2CC3(C2)CCCN(CCc2cn[nH]n2)C3)c(=O)n(C)c1=O ZINC001577647325 1075310147 /nfs/dbraw/zinc/31/01/47/1075310147.db2.gz MQRZFDCMUDRXJB-UHFFFAOYSA-N 0 3 387.444 -1.017 20 0 GAADHN Cn1cc(C(=O)N2CCC[C@](CO)(NCC(=O)NCc3cn[nH]n3)C2)cn1 ZINC001577647528 1075310116 /nfs/dbraw/zinc/31/01/16/1075310116.db2.gz PVAZXENKVPHQLT-INIZCTEOSA-N 0 3 376.421 -1.589 20 0 GAADHN Cn1cc(C(=O)N2CCC[C@@](CO)(NCC(=O)NCc3cn[nH]n3)C2)cn1 ZINC001577647529 1075309935 /nfs/dbraw/zinc/30/99/35/1075309935.db2.gz PVAZXENKVPHQLT-MRXNPFEDSA-N 0 3 376.421 -1.589 20 0 GAADHN Cn1cc(C(=O)NC[C@@H]2[C@H]3CN(CC(=O)NCc4c[nH]nn4)C[C@H]32)ccc1=O ZINC001577650322 1075310950 /nfs/dbraw/zinc/31/09/50/1075310950.db2.gz DUXHWBFJTYTJIS-QKDCVEJESA-N 0 3 385.428 -1.273 20 0 GAADHN Cn1cc(C(=O)NC[C@@H]2[C@H]3CN(CC(=O)NCc4c[nH]nn4)C[C@H]32)n(C)c1=O ZINC001577650508 1075310865 /nfs/dbraw/zinc/31/08/65/1075310865.db2.gz KZEIUQSOALZSPF-XYYAHUGASA-N 0 3 388.432 -1.934 20 0 GAADHN Cn1cc(CNC[C@H](O)CNC(=O)C2CCN(Cc3c[nH]nn3)CC2)nn1 ZINC001577656142 1075312149 /nfs/dbraw/zinc/31/21/49/1075312149.db2.gz LNUGQSAQBXJNBH-HNNXBMFYSA-N 0 3 377.453 -1.588 20 0 GAADHN Cn1cc(CNC[C@@H](O)CNC(=O)C2CCN(Cc3c[nH]nn3)CC2)nn1 ZINC001577656143 1075312196 /nfs/dbraw/zinc/31/21/96/1075312196.db2.gz LNUGQSAQBXJNBH-OAHLLOKOSA-N 0 3 377.453 -1.588 20 0 GAADHN Cn1cc([C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2NCc2c[nH]nn2)cn1 ZINC001577658945 1075312630 /nfs/dbraw/zinc/31/26/30/1075312630.db2.gz UQLFOVOXBNBSLN-LSDHHAIUSA-N 0 3 388.432 -1.519 20 0 GAADHN Cn1cnc(C(=O)NCC[C@@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577672622 1075315242 /nfs/dbraw/zinc/31/52/42/1075315242.db2.gz MXTUJCUYQBTYFK-GFCCVEGCSA-N 0 3 388.432 -1.343 20 0 GAADHN Cn1cnc(C(=O)NCC[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577672624 1075315281 /nfs/dbraw/zinc/31/52/81/1075315281.db2.gz MXTUJCUYQBTYFK-LBPRGKRZSA-N 0 3 388.432 -1.343 20 0 GAADHN Cn1cnc(C(=O)NCCCN(CC(=O)NCc2c[nH]nn2)C2CC2)cc1=O ZINC001577673326 1075316061 /nfs/dbraw/zinc/31/60/61/1075316061.db2.gz YXJPKKAYMUHMBY-UHFFFAOYSA-N 0 3 388.432 -1.201 20 0 GAADHN Cn1cnn(CC(=O)N2CC(n3cc(CNCCc4c[nH]nn4)nn3)C2)c1=O ZINC001577678182 1075317079 /nfs/dbraw/zinc/31/70/79/1075317079.db2.gz JIXFFPWEUSCPQT-UHFFFAOYSA-N 0 3 387.408 -2.293 20 0 GAADHN Cn1nc(C(=O)NC[C@@H]2[C@H]3CN(CC(=O)NCc4c[nH]nn4)C[C@H]32)ccc1=O ZINC001577680076 1075318504 /nfs/dbraw/zinc/31/85/04/1075318504.db2.gz BITPCPBTAVRUKW-XYYAHUGASA-N 0 3 386.416 -1.878 20 0 GAADHN Cn1cnnc1COCC(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001577680164 1075318403 /nfs/dbraw/zinc/31/84/03/1075318403.db2.gz FQSPRRBXFDJRTI-UHFFFAOYSA-N 0 3 377.453 -1.226 20 0 GAADHN Cn1cnnc1COCC(=O)N1CCC[C@H](N(CCO)CCc2cn[nH]n2)C1 ZINC001577680681 1075318965 /nfs/dbraw/zinc/31/89/65/1075318965.db2.gz UJXINTVKIADWBI-HNNXBMFYSA-N 0 3 392.464 -1.022 20 0 GAADHN Cn1cnnc1COCC(=O)N1CCC[C@@H](N(CCO)CCc2cn[nH]n2)C1 ZINC001577680682 1075319078 /nfs/dbraw/zinc/31/90/78/1075319078.db2.gz UJXINTVKIADWBI-OAHLLOKOSA-N 0 3 392.464 -1.022 20 0 GAADHN Cn1[n-]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3Cc3cn[nH]n3)C2)nc1=O ZINC001577683450 1075319931 /nfs/dbraw/zinc/31/99/31/1075319931.db2.gz PFOQWONCYUURNU-JSGCOSHPSA-N 0 3 389.464 -1.171 20 0 GAADHN Cn1[n-]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3Cc3cn[nH]n3)C2)nc1=O ZINC001577683451 1075320069 /nfs/dbraw/zinc/32/00/69/1075320069.db2.gz PFOQWONCYUURNU-OCCSQVGLSA-N 0 3 389.464 -1.171 20 0 GAADHN Cn1nccc1CCN1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)[C@@H](O)C1 ZINC001577691793 1075321680 /nfs/dbraw/zinc/32/16/80/1075321680.db2.gz UMEWDTRBMYUMED-IKGGRYGDSA-N 0 3 388.476 -1.093 20 0 GAADHN Cn1nnc(C(=O)NCCC2CCN(CC(=O)NCc3c[nH]nn3)CC2)n1 ZINC001577693637 1075322158 /nfs/dbraw/zinc/32/21/58/1075322158.db2.gz FCCHKCULXXBVSH-UHFFFAOYSA-N 0 3 376.425 -1.524 20 0 GAADHN Cn1nnc(C(=O)N2CCC[C@@H](n3cc(CNCCc4c[nH]nn4)nn3)C2)n1 ZINC001577693901 1075322674 /nfs/dbraw/zinc/32/26/74/1075322674.db2.gz MJRCAJBWUMLTAL-CYBMUJFWSA-N 0 3 386.424 -1.271 20 0 GAADHN Cn1nnc(C(=O)N2CCC[C@H](n3cc(CNCCc4c[nH]nn4)nn3)C2)n1 ZINC001577693902 1075322492 /nfs/dbraw/zinc/32/24/92/1075322492.db2.gz MJRCAJBWUMLTAL-ZDUSSCGKSA-N 0 3 386.424 -1.271 20 0 GAADHN Cn1nnc(C(=O)N2CCC(N(CCO)CC(=O)NCc3cn[nH]n3)CC2)n1 ZINC001577694016 1075322975 /nfs/dbraw/zinc/32/29/75/1075322975.db2.gz POUOZIBDTSKGSQ-UHFFFAOYSA-N 0 3 392.424 -2.457 20 0 GAADHN Cn1nncc1CNCC1(O)CCN(C(=O)CCOCc2cn[nH]n2)CC1 ZINC001577696423 1075324666 /nfs/dbraw/zinc/32/46/66/1075324666.db2.gz SDNAROIKUHPFQV-UHFFFAOYSA-N 0 3 378.437 -1.017 20 0 GAADHN NC(=O)CCCC(=O)N1C[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C[C@H]2C1 ZINC001577727422 1075328480 /nfs/dbraw/zinc/32/84/80/1075328480.db2.gz KIQJNPHNDMEWLF-OLZOCXBDSA-N 0 3 377.449 -1.143 20 0 GAADHN NC(=O)Cn1cc(C(=O)N[C@H]2COC3(CN(CCc4c[nH]nn4)C3)C2)nn1 ZINC001577730094 1075329461 /nfs/dbraw/zinc/32/94/61/1075329461.db2.gz BBZHDFJYELYGGG-LLVKDONJSA-N 0 3 375.393 -2.303 20 0 GAADHN NC(=O)Cn1cc(C(=O)N[C@@H]2COC3(CN(CCc4c[nH]nn4)C3)C2)nn1 ZINC001577730096 1075329402 /nfs/dbraw/zinc/32/94/02/1075329402.db2.gz BBZHDFJYELYGGG-NSHDSACASA-N 0 3 375.393 -2.303 20 0 GAADHN NC(=O)NC(=O)CNC[C@@H]1CN(C(=O)CCCCCc2c[nH]nn2)CCO1 ZINC001577730229 1075329574 /nfs/dbraw/zinc/32/95/74/1075329574.db2.gz COXZUSXWUBGSGF-CYBMUJFWSA-N 0 3 381.437 -1.081 20 0 GAADHN NC(=O)NC(=O)CNC[C@H]1CN(C(=O)CCCCCc2c[nH]nn2)CCO1 ZINC001577730230 1075329557 /nfs/dbraw/zinc/32/95/57/1075329557.db2.gz COXZUSXWUBGSGF-ZDUSSCGKSA-N 0 3 381.437 -1.081 20 0 GAADHN NC(=O)NCCC(=O)N1C[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C[C@H]2C1 ZINC001577732511 1075331262 /nfs/dbraw/zinc/33/12/62/1075331262.db2.gz FBDKYGPQYYFBLT-NEPJUHHUSA-N 0 3 378.437 -1.740 20 0 GAADHN NC(=O)NCCC(=O)N1CCC2(CCN(CC(=O)NCc3c[nH]nn3)C2)CC1 ZINC001577732996 1075332136 /nfs/dbraw/zinc/33/21/36/1075332136.db2.gz QUFKVJBPOREPLI-UHFFFAOYSA-N 0 3 392.464 -1.206 20 0 GAADHN NC(=O)NCCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733172 1075332468 /nfs/dbraw/zinc/33/24/68/1075332468.db2.gz UAZLELCGNXAHKX-AAEUAGOBSA-N 0 3 378.437 -1.598 20 0 GAADHN NC(=O)NCCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733172 1075332461 /nfs/dbraw/zinc/33/24/61/1075332461.db2.gz UAZLELCGNXAHKX-AAEUAGOBSA-N 0 3 378.437 -1.598 20 0 GAADHN NC(=O)NCCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733174 1075332684 /nfs/dbraw/zinc/33/26/84/1075332684.db2.gz UAZLELCGNXAHKX-DGCLKSJQSA-N 0 3 378.437 -1.598 20 0 GAADHN NC(=O)NCCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733174 1075332679 /nfs/dbraw/zinc/33/26/79/1075332679.db2.gz UAZLELCGNXAHKX-DGCLKSJQSA-N 0 3 378.437 -1.598 20 0 GAADHN NC(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733176 1075332649 /nfs/dbraw/zinc/33/26/49/1075332649.db2.gz UAZLELCGNXAHKX-WCQYABFASA-N 0 3 378.437 -1.598 20 0 GAADHN NC(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733176 1075332645 /nfs/dbraw/zinc/33/26/45/1075332645.db2.gz UAZLELCGNXAHKX-WCQYABFASA-N 0 3 378.437 -1.598 20 0 GAADHN NC(=O)NCCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001577733178 1075332622 /nfs/dbraw/zinc/33/26/22/1075332622.db2.gz UAZLELCGNXAHKX-YPMHNXCESA-N 0 3 378.437 -1.598 20 0 GAADHN NC(=O)NCCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733178 1075332619 /nfs/dbraw/zinc/33/26/19/1075332619.db2.gz UAZLELCGNXAHKX-YPMHNXCESA-N 0 3 378.437 -1.598 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](N3CCN(CCc4c[nH]nn4)CC3)C2)O1 ZINC001577733466 1075332571 /nfs/dbraw/zinc/33/25/71/1075332571.db2.gz YQQDZXNXRUVBJJ-HRCADAONSA-N 0 3 391.476 -1.401 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N3CCN(CCc4c[nH]nn4)CC3)C2)O1 ZINC001577733469 1075333117 /nfs/dbraw/zinc/33/31/17/1075333117.db2.gz YQQDZXNXRUVBJJ-OWCLPIDISA-N 0 3 391.476 -1.401 20 0 GAADHN NC(=O)NCCC(=O)N1CCCC[C@@H]1CNC(=O)CCNCc1c[nH]nn1 ZINC001577733525 1075332999 /nfs/dbraw/zinc/33/29/99/1075332999.db2.gz ZREGJALZLJHION-CYBMUJFWSA-N 0 3 380.453 -1.160 20 0 GAADHN NC(=O)NCCC(=O)N1CCCC[C@H]1CNC(=O)CCNCc1c[nH]nn1 ZINC001577733526 1075333048 /nfs/dbraw/zinc/33/30/48/1075333048.db2.gz ZREGJALZLJHION-ZDUSSCGKSA-N 0 3 380.453 -1.160 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1c[nH]nn1)C1CCN([C@H]2CCCNC2=O)CC1 ZINC001577735168 1075333440 /nfs/dbraw/zinc/33/34/40/1075333440.db2.gz KUXZUKGTIZDAKL-ILXRZTDVSA-N 0 3 389.460 -1.002 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1c[nH]nn1)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC001577735169 1075333372 /nfs/dbraw/zinc/33/33/72/1075333372.db2.gz KUXZUKGTIZDAKL-QLFBSQMISA-N 0 3 389.460 -1.002 20 0 GAADHN NC(=O)c1cc(C(=O)N2CC(n3cc(CNCCc4c[nH]nn4)nn3)C2)c[nH]1 ZINC001577735541 1075334338 /nfs/dbraw/zinc/33/43/38/1075334338.db2.gz ZKZATKKDKPSMKX-UHFFFAOYSA-N 0 3 384.404 -1.147 20 0 GAADHN NC(=O)c1csc(C(=O)NC[C@@H](CO)NCC(=O)NCc2c[nH]nn2)c1 ZINC001577740313 1075335280 /nfs/dbraw/zinc/33/52/80/1075335280.db2.gz LYYYOBXWMLBRJW-JTQLQIEISA-N 0 3 381.418 -2.038 20 0 GAADHN NC(=O)c1csc(C(=O)NC[C@H](CO)NCC(=O)NCc2c[nH]nn2)c1 ZINC001577740320 1075335113 /nfs/dbraw/zinc/33/51/13/1075335113.db2.gz LYYYOBXWMLBRJW-SNVBAGLBSA-N 0 3 381.418 -2.038 20 0 GAADHN NC(=O)c1ncn(CC(=O)NC2(CO)CCN(CCc3cn[nH]n3)CC2)n1 ZINC001577740350 1075335248 /nfs/dbraw/zinc/33/52/48/1075335248.db2.gz MOMHDJIUHXLRFK-UHFFFAOYSA-N 0 3 377.409 -2.319 20 0 GAADHN NC(=O)c1ncn(CC(=O)NCCCN2CCN(Cc3c[nH]nn3)CC2)n1 ZINC001577740713 1075335536 /nfs/dbraw/zinc/33/55/36/1075335536.db2.gz SRODQPAJUWBVRW-UHFFFAOYSA-N 0 3 376.425 -2.181 20 0 GAADHN NC(=O)c1ncn(CC(=O)NC[C@@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577740956 1075335778 /nfs/dbraw/zinc/33/57/78/1075335778.db2.gz YXAFZQUCHSBNEX-JTQLQIEISA-N 0 3 390.408 -2.750 20 0 GAADHN NC(=O)c1ncn(CC(=O)NC[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577740957 1075335656 /nfs/dbraw/zinc/33/56/56/1075335656.db2.gz YXAFZQUCHSBNEX-SNVBAGLBSA-N 0 3 390.408 -2.750 20 0 GAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577776480 1075341631 /nfs/dbraw/zinc/34/16/31/1075341631.db2.gz FTFLWSYFXWZQFS-JHEVNIALSA-N 0 3 389.416 -2.232 20 0 GAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577776482 1075341541 /nfs/dbraw/zinc/34/15/41/1075341541.db2.gz FTFLWSYFXWZQFS-XYJRDEOASA-N 0 3 389.416 -2.232 20 0 GAADHN O=C(CCc1[nH]c(O)nc1O)NCC1(NCC(=O)NCc2c[nH]nn2)CCC1 ZINC001577796589 1075343060 /nfs/dbraw/zinc/34/30/60/1075343060.db2.gz DIQKAZKLZPVCMA-LLVKDONJSA-N 0 3 392.420 -1.962 20 0 GAADHN O=C(CCc1[nH]c(O)nc1O)NCC1(NCC(=O)NCc2c[nH]nn2)CCC1 ZINC001577796590 1075342856 /nfs/dbraw/zinc/34/28/56/1075342856.db2.gz DIQKAZKLZPVCMA-NSHDSACASA-N 0 3 392.420 -1.962 20 0 GAADHN O=C(CCc1[nH]c(O)nc1O)NC1(CO)CCN(CCc2c[nH]nn2)CC1 ZINC001577796959 1075343351 /nfs/dbraw/zinc/34/33/51/1075343351.db2.gz OPRWVEKZBMYKCT-GFCCVEGCSA-N 0 3 379.421 -1.722 20 0 GAADHN O=C(CCc1[nH]c(O)nc1O)NC1(CO)CCN(CCc2c[nH]nn2)CC1 ZINC001577796960 1075343553 /nfs/dbraw/zinc/34/35/53/1075343553.db2.gz OPRWVEKZBMYKCT-LBPRGKRZSA-N 0 3 379.421 -1.722 20 0 GAADHN O=C(CCCN1C(=O)CNC1=O)NC[C@@]1(O)CCN(CCc2cn[nH]n2)C1 ZINC001577828422 1075345644 /nfs/dbraw/zinc/34/56/44/1075345644.db2.gz VEFHVTQMTLXTNX-INIZCTEOSA-N 0 3 379.421 -1.768 20 0 GAADHN O=C(CCCN1C(=O)CNC1=O)NC[C@]1(O)CCN(CCc2cn[nH]n2)C1 ZINC001577828423 1075345765 /nfs/dbraw/zinc/34/57/65/1075345765.db2.gz VEFHVTQMTLXTNX-MRXNPFEDSA-N 0 3 379.421 -1.768 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001577851745 1075347307 /nfs/dbraw/zinc/34/73/07/1075347307.db2.gz AGLFEOLIZHPTNR-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001577851745 1075347301 /nfs/dbraw/zinc/34/73/01/1075347301.db2.gz AGLFEOLIZHPTNR-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001577851745 1075347297 /nfs/dbraw/zinc/34/72/97/1075347297.db2.gz AGLFEOLIZHPTNR-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001577851745 1075347294 /nfs/dbraw/zinc/34/72/94/1075347294.db2.gz AGLFEOLIZHPTNR-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001577851854 1075347280 /nfs/dbraw/zinc/34/72/80/1075347280.db2.gz DFSSCQMSZAOQKL-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001577851854 1075347276 /nfs/dbraw/zinc/34/72/76/1075347276.db2.gz DFSSCQMSZAOQKL-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001577851854 1075347272 /nfs/dbraw/zinc/34/72/72/1075347272.db2.gz DFSSCQMSZAOQKL-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001577851854 1075347267 /nfs/dbraw/zinc/34/72/67/1075347267.db2.gz DFSSCQMSZAOQKL-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001577859428 1075348200 /nfs/dbraw/zinc/34/82/00/1075348200.db2.gz GXEPURAVVNXCPT-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001577859428 1075348197 /nfs/dbraw/zinc/34/81/97/1075348197.db2.gz GXEPURAVVNXCPT-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001577859428 1075348196 /nfs/dbraw/zinc/34/81/96/1075348196.db2.gz GXEPURAVVNXCPT-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001577859428 1075348192 /nfs/dbraw/zinc/34/81/92/1075348192.db2.gz GXEPURAVVNXCPT-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001577859429 1075348290 /nfs/dbraw/zinc/34/82/90/1075348290.db2.gz GXEPURAVVNXCPT-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001577859429 1075348287 /nfs/dbraw/zinc/34/82/87/1075348287.db2.gz GXEPURAVVNXCPT-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001577859429 1075348285 /nfs/dbraw/zinc/34/82/85/1075348285.db2.gz GXEPURAVVNXCPT-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN 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CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001577859699 1075348269 /nfs/dbraw/zinc/34/82/69/1075348269.db2.gz MQAFZZZZYGFJPA-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001577859699 1075348264 /nfs/dbraw/zinc/34/82/64/1075348264.db2.gz MQAFZZZZYGFJPA-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001577859699 1075348259 /nfs/dbraw/zinc/34/82/59/1075348259.db2.gz MQAFZZZZYGFJPA-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001577859699 1075348256 /nfs/dbraw/zinc/34/82/56/1075348256.db2.gz MQAFZZZZYGFJPA-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001577860012 1075348403 /nfs/dbraw/zinc/34/84/03/1075348403.db2.gz RCVMSKWMRCSUMB-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 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1075348814 /nfs/dbraw/zinc/34/88/14/1075348814.db2.gz QPCBJMAPRXRDCV-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001577866974 1075348812 /nfs/dbraw/zinc/34/88/12/1075348812.db2.gz QPCBJMAPRXRDCV-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001577867194 1075348871 /nfs/dbraw/zinc/34/88/71/1075348871.db2.gz XGAZEKDTTLXFMW-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001577867194 1075348868 /nfs/dbraw/zinc/34/88/68/1075348868.db2.gz XGAZEKDTTLXFMW-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001577867194 1075348866 /nfs/dbraw/zinc/34/88/66/1075348866.db2.gz XGAZEKDTTLXFMW-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001577867194 1075348863 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O=C(CCCc1cn[nH]n1)N[C@@H]1CN(C[C@H](O)COC2CCOCC2)C[C@@H]1O ZINC001577868471 1075349921 /nfs/dbraw/zinc/34/99/21/1075349921.db2.gz WKCPAUSHJPVHQY-UAGQMJEPSA-N 0 3 397.476 -1.155 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001577869391 1075349881 /nfs/dbraw/zinc/34/98/81/1075349881.db2.gz AJIANRNVNIHADM-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001577869391 1075349876 /nfs/dbraw/zinc/34/98/76/1075349876.db2.gz AJIANRNVNIHADM-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001577869391 1075349867 /nfs/dbraw/zinc/34/98/67/1075349867.db2.gz AJIANRNVNIHADM-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001577869391 1075349864 /nfs/dbraw/zinc/34/98/64/1075349864.db2.gz AJIANRNVNIHADM-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001577869392 1075350152 /nfs/dbraw/zinc/35/01/52/1075350152.db2.gz AJIANRNVNIHADM-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001577869392 1075350148 /nfs/dbraw/zinc/35/01/48/1075350148.db2.gz AJIANRNVNIHADM-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001577869392 1075350144 /nfs/dbraw/zinc/35/01/44/1075350144.db2.gz AJIANRNVNIHADM-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001577869392 1075350141 /nfs/dbraw/zinc/35/01/41/1075350141.db2.gz AJIANRNVNIHADM-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001577869522 1075349972 /nfs/dbraw/zinc/34/99/72/1075349972.db2.gz GKBOZHJUQIPPQZ-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001577869522 1075349969 /nfs/dbraw/zinc/34/99/69/1075349969.db2.gz GKBOZHJUQIPPQZ-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001577869522 1075349966 /nfs/dbraw/zinc/34/99/66/1075349966.db2.gz GKBOZHJUQIPPQZ-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001577869522 1075349962 /nfs/dbraw/zinc/34/99/62/1075349962.db2.gz GKBOZHJUQIPPQZ-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001577869591 1075349948 /nfs/dbraw/zinc/34/99/48/1075349948.db2.gz IIJYFYADWXJANF-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001577869591 1075349945 /nfs/dbraw/zinc/34/99/45/1075349945.db2.gz IIJYFYADWXJANF-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001577869591 1075349941 /nfs/dbraw/zinc/34/99/41/1075349941.db2.gz IIJYFYADWXJANF-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001577869591 1075349939 /nfs/dbraw/zinc/34/99/39/1075349939.db2.gz IIJYFYADWXJANF-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001577869592 1075350001 /nfs/dbraw/zinc/35/00/01/1075350001.db2.gz IIJYFYADWXJANF-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001577869592 1075349997 /nfs/dbraw/zinc/34/99/97/1075349997.db2.gz IIJYFYADWXJANF-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001577869592 1075349994 /nfs/dbraw/zinc/34/99/94/1075349994.db2.gz IIJYFYADWXJANF-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001577869592 1075349991 /nfs/dbraw/zinc/34/99/91/1075349991.db2.gz IIJYFYADWXJANF-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN O=C(CCOCc1c[nH]nn1)NCCCN1CCN([C@H]2CCNC2=O)CC1 ZINC001577887310 1075353034 /nfs/dbraw/zinc/35/30/34/1075353034.db2.gz BJHVOERQAXXZFU-HNNXBMFYSA-N 0 3 379.465 -1.276 20 0 GAADHN O=C(CCOCc1c[nH]nn1)NCCCN1CCN([C@@H]2CCNC2=O)CC1 ZINC001577887311 1075353084 /nfs/dbraw/zinc/35/30/84/1075353084.db2.gz BJHVOERQAXXZFU-OAHLLOKOSA-N 0 3 379.465 -1.276 20 0 GAADHN CC[NH+](CC)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001577895893 1075354276 /nfs/dbraw/zinc/35/42/76/1075354276.db2.gz SJEWGJGBILYASZ-OLZOCXBDSA-N 0 3 375.437 -1.027 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NCCCN1CCN(CCc2cn[nH]n2)CC1 ZINC001577914297 1075356257 /nfs/dbraw/zinc/35/62/57/1075356257.db2.gz NORZFNOOOBZTAV-UHFFFAOYSA-N 0 3 378.437 -1.977 20 0 GAADHN O=C(CN(CCO)C1CCN(C(=O)c2cnon2)CC1)NCc1cn[nH]n1 ZINC001577915538 1075356560 /nfs/dbraw/zinc/35/65/60/1075356560.db2.gz WZIVSZFMLZXZKC-UHFFFAOYSA-N 0 3 378.393 -1.597 20 0 GAADHN O=C(CN1C[C@@H]2[C@@H](CNC(=O)CN3CCCC3=O)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577917534 1075357110 /nfs/dbraw/zinc/35/71/10/1075357110.db2.gz CFKINJYZHCVKES-ZSOGYDGISA-N 0 3 375.433 -1.663 20 0 GAADHN O=C(CN1C[C@@H]2[C@@H](CNC(=O)Cn3ccccc3=O)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577918167 1075358244 /nfs/dbraw/zinc/35/82/44/1075358244.db2.gz RIHMVABOGRGXJK-QKDCVEJESA-N 0 3 385.428 -1.423 20 0 GAADHN O=C(CN1C[C@@H]2[C@@H](CNC(=O)C(=O)NCC3CC3)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577918213 1075358266 /nfs/dbraw/zinc/35/82/66/1075358266.db2.gz SKIBWAXGGVGPOY-ZSOGYDGISA-N 0 3 375.433 -1.759 20 0 GAADHN O=C(CN1CCC2(C[C@H]2NC(=O)[C@@H]2CCC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577919764 1075359117 /nfs/dbraw/zinc/35/91/17/1075359117.db2.gz CMWXFVZFTAZIGS-QWHCGFSZSA-N 0 3 375.433 -1.330 20 0 GAADHN O=C(CN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577919765 1075359026 /nfs/dbraw/zinc/35/90/26/1075359026.db2.gz CMWXFVZFTAZIGS-STQMWFEESA-N 0 3 375.433 -1.330 20 0 GAADHN O=C(CN1CCC2(CC1)CN(C(=O)c1nc[nH]n1)CCO2)NCc1c[nH]nn1 ZINC001577919844 1075358989 /nfs/dbraw/zinc/35/89/89/1075358989.db2.gz DNWJOHQAYYNSKZ-UHFFFAOYSA-N 0 3 389.420 -1.454 20 0 GAADHN O=C(CN1CCC2(C1)CCN(C(=O)[C@H]1COC(=O)N1)CC2)NCc1c[nH]nn1 ZINC001577919899 1075359057 /nfs/dbraw/zinc/35/90/57/1075359057.db2.gz FFPYECCBYCVDGG-CYBMUJFWSA-N 0 3 391.432 -1.156 20 0 GAADHN O=C(CN1CCC2(C1)CCN(C(=O)[C@@H]1COC(=O)N1)CC2)NCc1c[nH]nn1 ZINC001577919902 1075358972 /nfs/dbraw/zinc/35/89/72/1075358972.db2.gz FFPYECCBYCVDGG-ZDUSSCGKSA-N 0 3 391.432 -1.156 20 0 GAADHN O=C(CN1CC[C@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1)NCc1cn[nH]n1 ZINC001577920227 1075359346 /nfs/dbraw/zinc/35/93/46/1075359346.db2.gz KIDBAOHBXNABIX-AWEZNQCLSA-N 0 3 387.448 -1.324 20 0 GAADHN O=C(CN1CC[C@@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1)NCc1cn[nH]n1 ZINC001577920229 1075359608 /nfs/dbraw/zinc/35/96/08/1075359608.db2.gz KIDBAOHBXNABIX-CQSZACIVSA-N 0 3 387.448 -1.324 20 0 GAADHN O=C(CN1CC[C@H](CCNC(=O)[C@H]2CCCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577920365 1075359605 /nfs/dbraw/zinc/35/96/05/1075359605.db2.gz MUGAWWSAQQMLMO-GXTWGEPZSA-N 0 3 377.449 -1.082 20 0 GAADHN O=C(CN1CC[C@@H](CCNC(=O)[C@H]2CCCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577920366 1075359508 /nfs/dbraw/zinc/35/95/08/1075359508.db2.gz MUGAWWSAQQMLMO-TZMCWYRMSA-N 0 3 377.449 -1.082 20 0 GAADHN O=C(CN1CCC2(C[C@@H]2NC(=O)[C@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577920637 1075359918 /nfs/dbraw/zinc/35/99/18/1075359918.db2.gz VIIJARSVLCCRKU-NEPJUHHUSA-N 0 3 376.421 -1.927 20 0 GAADHN O=C(CN1CCC2(C[C@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577920638 1075360045 /nfs/dbraw/zinc/36/00/45/1075360045.db2.gz VIIJARSVLCCRKU-NWDGAFQWSA-N 0 3 376.421 -1.927 20 0 GAADHN O=C(CN1CCC2(C[C@@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577920639 1075359934 /nfs/dbraw/zinc/35/99/34/1075359934.db2.gz VIIJARSVLCCRKU-RYUDHWBXSA-N 0 3 376.421 -1.927 20 0 GAADHN O=C(CN1CCC2(C[C@H]2NC(=O)[C@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577920640 1075360002 /nfs/dbraw/zinc/36/00/02/1075360002.db2.gz VIIJARSVLCCRKU-VXGBXAGGSA-N 0 3 376.421 -1.927 20 0 GAADHN O=C(CN1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)CC1)NCc1c[nH]nn1 ZINC001577920648 1075360622 /nfs/dbraw/zinc/36/06/22/1075360622.db2.gz VKOOZWZAYUSDJD-UHFFFAOYSA-N 0 3 389.460 -1.129 20 0 GAADHN O=C(CN1CCC2(CN(C(=O)[C@@H]3COCCO3)C2)CC1)NCc1c[nH]nn1 ZINC001577920721 1075360390 /nfs/dbraw/zinc/36/03/90/1075360390.db2.gz XAEHMVXGENEUHB-AWEZNQCLSA-N 0 3 378.433 -1.239 20 0 GAADHN O=C(CN1CCC2(CN(C(=O)[C@H]3COCCO3)C2)CC1)NCc1c[nH]nn1 ZINC001577920722 1075360467 /nfs/dbraw/zinc/36/04/67/1075360467.db2.gz XAEHMVXGENEUHB-CQSZACIVSA-N 0 3 378.433 -1.239 20 0 GAADHN O=C(CN1CC[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)NCc1c[nH]nn1 ZINC001577920730 1075360638 /nfs/dbraw/zinc/36/06/38/1075360638.db2.gz XINWYVXUTQEPKV-KRWDZBQOSA-N 0 3 386.416 -1.258 20 0 GAADHN O=C(CN1CC[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)NCc1c[nH]nn1 ZINC001577920731 1075360430 /nfs/dbraw/zinc/36/04/30/1075360430.db2.gz XINWYVXUTQEPKV-QGZVFWFLSA-N 0 3 386.416 -1.258 20 0 GAADHN O=C(CN1CCC[C@@H](NC(=O)C(=O)NCC2CC2)CC1)NCc1c[nH]nn1 ZINC001577922484 1075360567 /nfs/dbraw/zinc/36/05/67/1075360567.db2.gz AUGJPXKMQKHFPC-CYBMUJFWSA-N 0 3 377.449 -1.082 20 0 GAADHN O=C(CN1CCC[C@H](NC(=O)C(=O)NCC2CC2)CC1)NCc1c[nH]nn1 ZINC001577922485 1075360504 /nfs/dbraw/zinc/36/05/04/1075360504.db2.gz AUGJPXKMQKHFPC-ZDUSSCGKSA-N 0 3 377.449 -1.082 20 0 GAADHN O=C(CN1C(=O)CCC1=O)N[C@@H]1CCCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577922603 1075361138 /nfs/dbraw/zinc/36/11/38/1075361138.db2.gz DZXJDAOMQDHZNM-GFCCVEGCSA-N 0 3 391.432 -1.459 20 0 GAADHN O=C(CN1C(=O)CCC1=O)N[C@H]1CCCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577922604 1075361095 /nfs/dbraw/zinc/36/10/95/1075361095.db2.gz DZXJDAOMQDHZNM-LBPRGKRZSA-N 0 3 391.432 -1.459 20 0 GAADHN O=C(Cn1ncnn1)NCCC[C@@H]1CCCN1CC(=O)NCc1cn[nH]n1 ZINC001577922776 1075361247 /nfs/dbraw/zinc/36/12/47/1075361247.db2.gz 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O=C(CN1CCCNC1=O)N1CC[C@H](N2CCN(CCc3c[nH]nn3)CC2)C1 ZINC001577925281 1075362092 /nfs/dbraw/zinc/36/20/92/1075362092.db2.gz AZEUOFYFLHAWFZ-INIZCTEOSA-N 0 3 390.492 -1.019 20 0 GAADHN O=C(CN1CCCNC1=O)N1CC[C@@H](N2CCN(CCc3c[nH]nn3)CC2)C1 ZINC001577925282 1075362132 /nfs/dbraw/zinc/36/21/32/1075362132.db2.gz AZEUOFYFLHAWFZ-MRXNPFEDSA-N 0 3 390.492 -1.019 20 0 GAADHN O=C(CN1CCCCS1(=O)=O)NC1(CNCc2cn[nH]n2)CCOCC1 ZINC001577926614 1075362847 /nfs/dbraw/zinc/36/28/47/1075362847.db2.gz SRCODKPVJSFQFR-UHFFFAOYSA-N 0 3 386.478 -1.015 20 0 GAADHN O=C(CN1CC[C@@]2(CNC(=O)[C@@H]3CCNC3=O)CCC[C@@H]12)NCc1c[nH]nn1 ZINC001577927789 1075363401 /nfs/dbraw/zinc/36/34/01/1075363401.db2.gz ICXNAKQBRNTVGQ-HBUWYVDXSA-N 0 3 389.460 -1.082 20 0 GAADHN O=C(CN1CC[C@@]2(CNC(=O)[C@H]3CCNC3=O)CCC[C@@H]12)NCc1c[nH]nn1 ZINC001577927790 1075363449 /nfs/dbraw/zinc/36/34/49/1075363449.db2.gz ICXNAKQBRNTVGQ-PMUMKWKESA-N 0 3 389.460 -1.082 20 0 GAADHN O=C(CN1CC[C@@]2(CNC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12)NCc1c[nH]nn1 ZINC001577928240 1075364045 /nfs/dbraw/zinc/36/40/45/1075364045.db2.gz PEVCCJBRRZNESL-OGHNNQOOSA-N 0 3 390.448 -1.537 20 0 GAADHN O=C(CN1CC[C@@]2(CNC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12)NCc1c[nH]nn1 ZINC001577928241 1075363893 /nfs/dbraw/zinc/36/38/93/1075363893.db2.gz PEVCCJBRRZNESL-PBFPGSCMSA-N 0 3 390.448 -1.537 20 0 GAADHN O=C(CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2)NCc1cn[nH]n1 ZINC001577930847 1075364799 /nfs/dbraw/zinc/36/47/99/1075364799.db2.gz DBZRWGLHUSBPAG-GHYVTOPFSA-N 0 3 390.448 -1.539 20 0 GAADHN O=C(CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2)NCc1cn[nH]n1 ZINC001577930848 1075364883 /nfs/dbraw/zinc/36/48/83/1075364883.db2.gz DBZRWGLHUSBPAG-YXCITZCRSA-N 0 3 390.448 -1.539 20 0 GAADHN O=C(CN1C[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]2C1)NCc1c[nH]nn1 ZINC001577932226 1075365692 /nfs/dbraw/zinc/36/56/92/1075365692.db2.gz PMUAYOSKCBMQCJ-OKILXGFUSA-N 0 3 385.428 -1.327 20 0 GAADHN O=C(CN1C[C@@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@@H]2C1)NCc1c[nH]nn1 ZINC001577932845 1075366077 /nfs/dbraw/zinc/36/60/77/1075366077.db2.gz ZJMCTPHISQSDGS-GUTXKFCHSA-N 0 3 378.433 -1.383 20 0 GAADHN O=C(CN1C[C@@H]2CN(C(=O)CO[C@@H]3CCOC3)C[C@@H]2C1)NCc1c[nH]nn1 ZINC001577932846 1075365986 /nfs/dbraw/zinc/36/59/86/1075365986.db2.gz ZJMCTPHISQSDGS-VNHYZAJKSA-N 0 3 378.433 -1.383 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)c1cnn(C2CCC2)c1)NCc1c[nH]nn1 ZINC001577934290 1075366115 /nfs/dbraw/zinc/36/61/15/1075366115.db2.gz ADEDILXADAYNNR-CYBMUJFWSA-N 0 3 376.421 -1.277 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)c1cnn(C2CCC2)c1)NCc1c[nH]nn1 ZINC001577934295 1075365946 /nfs/dbraw/zinc/36/59/46/1075365946.db2.gz ADEDILXADAYNNR-ZDUSSCGKSA-N 0 3 376.421 -1.277 20 0 GAADHN O=C(CN[C@@]1(CO)CCCN(C(=O)CCOCc2cn[nH]n2)C1)NC1CC1 ZINC001577934361 1075365960 /nfs/dbraw/zinc/36/59/60/1075365960.db2.gz BGHKBAZYFPQDCY-KRWDZBQOSA-N 0 3 380.449 -1.067 20 0 GAADHN O=C(CN[C@]1(CO)CCCN(C(=O)CCOCc2cn[nH]n2)C1)NC1CC1 ZINC001577934363 1075366006 /nfs/dbraw/zinc/36/60/06/1075366006.db2.gz BGHKBAZYFPQDCY-QGZVFWFLSA-N 0 3 380.449 -1.067 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)[C@H]1CCc2nnnn2CC1)NCc1c[nH]nn1 ZINC001577934411 1075365921 /nfs/dbraw/zinc/36/59/21/1075365921.db2.gz CDCQDPGRWTVQNI-CMPLNLGQSA-N 0 3 392.424 -2.873 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)[C@H]1CCc2nnnn2CC1)NCc1c[nH]nn1 ZINC001577934414 1075366097 /nfs/dbraw/zinc/36/60/97/1075366097.db2.gz CDCQDPGRWTVQNI-JQWIXIFHSA-N 0 3 392.424 -2.873 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)[C@@H]1CCc2nnnn2CC1)NCc1c[nH]nn1 ZINC001577934416 1075365861 /nfs/dbraw/zinc/36/58/61/1075365861.db2.gz CDCQDPGRWTVQNI-PWSUYJOCSA-N 0 3 392.424 -2.873 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)[C@@H]1CCc2nnnn2CC1)NCc1c[nH]nn1 ZINC001577934418 1075366164 /nfs/dbraw/zinc/36/61/64/1075366164.db2.gz CDCQDPGRWTVQNI-ZYHUDNBSSA-N 0 3 392.424 -2.873 20 0 GAADHN O=C(CN[C@@]1(CO)CCCN(C(=O)Cn2cccn2)C1)NCc1cn[nH]n1 ZINC001577934884 1075366130 /nfs/dbraw/zinc/36/61/30/1075366130.db2.gz FBGXWLZKPXUADJ-INIZCTEOSA-N 0 3 376.421 -1.739 20 0 GAADHN O=C(CN[C@]1(CO)CCCN(C(=O)Cn2cccn2)C1)NCc1cn[nH]n1 ZINC001577934886 1075366023 /nfs/dbraw/zinc/36/60/23/1075366023.db2.gz FBGXWLZKPXUADJ-MRXNPFEDSA-N 0 3 376.421 -1.739 20 0 GAADHN O=C(CN[C@]1(CO)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1)NCc1cn[nH]n1 ZINC001577934954 1075366416 /nfs/dbraw/zinc/36/64/16/1075366416.db2.gz GUQSTZQECXKIBT-BLLLJJGKSA-N 0 3 379.421 -2.357 20 0 GAADHN O=C(CN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1)NCc1cn[nH]n1 ZINC001577934955 1075366514 /nfs/dbraw/zinc/36/65/14/1075366514.db2.gz GUQSTZQECXKIBT-LRDDRELGSA-N 0 3 379.421 -2.357 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)c1csc2cncn21)NCc1c[nH]nn1 ZINC001577935038 1075366567 /nfs/dbraw/zinc/36/65/67/1075366567.db2.gz HPILWXSXMHCOKO-JTQLQIEISA-N 0 3 378.418 -1.489 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)c1csc2cncn21)NCc1c[nH]nn1 ZINC001577935039 1075366605 /nfs/dbraw/zinc/36/66/05/1075366605.db2.gz HPILWXSXMHCOKO-SNVBAGLBSA-N 0 3 378.418 -1.489 20 0 GAADHN O=C(CN[C@]1(CO)CCCN(C(=O)C[C@H]2CCOC2)C1)NCc1cn[nH]n1 ZINC001577935131 1075366502 /nfs/dbraw/zinc/36/65/02/1075366502.db2.gz KRZVRQIQAVZLAE-CXAGYDPISA-N 0 3 380.449 -1.209 20 0 GAADHN O=C(CN[C@@]1(CO)CCCN(C(=O)C[C@H]2CCOC2)C1)NCc1cn[nH]n1 ZINC001577935132 1075366443 /nfs/dbraw/zinc/36/64/43/1075366443.db2.gz KRZVRQIQAVZLAE-DYVFJYSZSA-N 0 3 380.449 -1.209 20 0 GAADHN O=C(CNC1(CNC(=O)c2ccnc3c2CC(=O)N3)CC1)NCc1cn[nH]n1 ZINC001577935136 1075366595 /nfs/dbraw/zinc/36/65/95/1075366595.db2.gz KYBAAOUZTKIROV-UHFFFAOYSA-N 0 3 384.400 -1.137 20 0 GAADHN O=C(CN[C@]1(CO)CCCN(C(=O)[C@H]2CCNC2=O)C1)NCc1cn[nH]n1 ZINC001577935198 1075366398 /nfs/dbraw/zinc/36/63/98/1075366398.db2.gz MQGRAKNYCFPFJN-BLLLJJGKSA-N 0 3 379.421 -2.500 20 0 GAADHN O=C(CN[C@@]1(CO)CCCN(C(=O)[C@H]2CCNC2=O)C1)NCc1cn[nH]n1 ZINC001577935199 1075366554 /nfs/dbraw/zinc/36/65/54/1075366554.db2.gz MQGRAKNYCFPFJN-LRDDRELGSA-N 0 3 379.421 -2.500 20 0 GAADHN O=C(CN[C@]1(CO)CCCN(C(=O)[C@@H]2CCNC2=O)C1)NCc1cn[nH]n1 ZINC001577935200 1075366577 /nfs/dbraw/zinc/36/65/77/1075366577.db2.gz MQGRAKNYCFPFJN-MLGOLLRUSA-N 0 3 379.421 -2.500 20 0 GAADHN O=C(CN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCNC2=O)C1)NCc1cn[nH]n1 ZINC001577935201 1075366484 /nfs/dbraw/zinc/36/64/84/1075366484.db2.gz MQGRAKNYCFPFJN-WBMJQRKESA-N 0 3 379.421 -2.500 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)c1cc(C(F)(F)F)no1)NCc1c[nH]nn1 ZINC001577935238 1075366471 /nfs/dbraw/zinc/36/64/71/1075366471.db2.gz OHMRUSPJQTWFBZ-MRVPVSSYSA-N 0 3 391.310 -1.192 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)c1cc(C(F)(F)F)no1)NCc1c[nH]nn1 ZINC001577935239 1075366530 /nfs/dbraw/zinc/36/65/30/1075366530.db2.gz OHMRUSPJQTWFBZ-QMMMGPOBSA-N 0 3 391.310 -1.192 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)C(=O)Nc1ccccc1)NCc1c[nH]nn1 ZINC001577935250 1075366900 /nfs/dbraw/zinc/36/69/00/1075366900.db2.gz OLJPGYXNYXTZMW-CYBMUJFWSA-N 0 3 375.389 -1.874 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)C(=O)Nc1ccccc1)NCc1c[nH]nn1 ZINC001577935251 1075367083 /nfs/dbraw/zinc/36/70/83/1075367083.db2.gz OLJPGYXNYXTZMW-ZDUSSCGKSA-N 0 3 375.389 -1.874 20 0 GAADHN O=C(CN[C@@]1(CO)CCCN(C(=O)Cn2cncn2)C1)NCc1cn[nH]n1 ZINC001577935271 1075367017 /nfs/dbraw/zinc/36/70/17/1075367017.db2.gz PCBUDBKQXCSXHO-HNNXBMFYSA-N 0 3 377.409 -2.344 20 0 GAADHN O=C(CN[C@]1(CO)CCCN(C(=O)Cn2cncn2)C1)NCc1cn[nH]n1 ZINC001577935272 1075366953 /nfs/dbraw/zinc/36/69/53/1075366953.db2.gz PCBUDBKQXCSXHO-OAHLLOKOSA-N 0 3 377.409 -2.344 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)c1cc2c([nH]c1=O)CCC2)NCc1c[nH]nn1 ZINC001577935299 1075366983 /nfs/dbraw/zinc/36/69/83/1075366983.db2.gz PNZJPTORTHUVCI-GFCCVEGCSA-N 0 3 389.416 -1.609 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)c1cc2c([nH]c1=O)CCC2)NCc1c[nH]nn1 ZINC001577935300 1075367034 /nfs/dbraw/zinc/36/70/34/1075367034.db2.gz PNZJPTORTHUVCI-LBPRGKRZSA-N 0 3 389.416 -1.609 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)NCc1c[nH]nn1 ZINC001577935353 1075366838 /nfs/dbraw/zinc/36/68/38/1075366838.db2.gz REVCVWDIFLEXQH-JQWIXIFHSA-N 0 3 391.392 -3.133 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)NCc1c[nH]nn1 ZINC001577935354 1075366936 /nfs/dbraw/zinc/36/69/36/1075366936.db2.gz REVCVWDIFLEXQH-PWSUYJOCSA-N 0 3 391.392 -3.133 20 0 GAADHN O=C(CN[C@@H](CNC(=O)Cn1cnnn1)c1ccccc1)NCc1c[nH]nn1 ZINC001577935415 1075366878 /nfs/dbraw/zinc/36/68/78/1075366878.db2.gz UAPKUSJSSUSKJA-AWEZNQCLSA-N 0 3 384.404 -1.445 20 0 GAADHN O=C(CN[C@H](CNC(=O)Cn1cnnn1)c1ccccc1)NCc1c[nH]nn1 ZINC001577935416 1075366808 /nfs/dbraw/zinc/36/68/08/1075366808.db2.gz UAPKUSJSSUSKJA-CQSZACIVSA-N 0 3 384.404 -1.445 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)c1cc2n(c1)CCCC2)NCc1c[nH]nn1 ZINC001577935426 1075367007 /nfs/dbraw/zinc/36/70/07/1075367007.db2.gz UNIXDRZMFZOVEL-AWEZNQCLSA-N 0 3 375.433 -1.061 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)c1cc2n(c1)CCCC2)NCc1c[nH]nn1 ZINC001577935427 1075367051 /nfs/dbraw/zinc/36/70/51/1075367051.db2.gz UNIXDRZMFZOVEL-CQSZACIVSA-N 0 3 375.433 -1.061 20 0 GAADHN O=C(CN[C@@]1(CO)CCCN(C(=O)CCOCc2cn[nH]n2)C1)N1CCC1 ZINC001577935457 1075366857 /nfs/dbraw/zinc/36/68/57/1075366857.db2.gz VNDBTESDGOQRAQ-KRWDZBQOSA-N 0 3 380.449 -1.113 20 0 GAADHN O=C(CN[C@]1(CO)CCCN(C(=O)CCOCc2cn[nH]n2)C1)N1CCC1 ZINC001577935458 1075367064 /nfs/dbraw/zinc/36/70/64/1075367064.db2.gz VNDBTESDGOQRAQ-QGZVFWFLSA-N 0 3 380.449 -1.113 20 0 GAADHN O=C(COC[C@H]1CCCO1)NC[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577951366 1075372274 /nfs/dbraw/zinc/37/22/74/1075372274.db2.gz CZSAONWROYQRDO-FPCVCCKLSA-N 0 3 392.460 -1.090 20 0 GAADHN O=C(COC[C@@H]1CCCO1)NC[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577951368 1075372291 /nfs/dbraw/zinc/37/22/91/1075372291.db2.gz CZSAONWROYQRDO-YHUYYLMFSA-N 0 3 392.460 -1.090 20 0 GAADHN O=C(Cc1[nH]c(O)nc1O)NCCCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001577957754 1075372794 /nfs/dbraw/zinc/37/27/94/1075372794.db2.gz CITXJGIPIZOIDP-AWEZNQCLSA-N 0 3 392.464 -1.193 20 0 GAADHN O=C(Cc1c[nH]cn1)NC[C@H](O)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577962553 1075373143 /nfs/dbraw/zinc/37/31/43/1075373143.db2.gz HPSOZWUHORBNOO-HNNXBMFYSA-N 0 3 390.448 -1.424 20 0 GAADHN O=C(Cc1c[nH]cn1)NC[C@@H](O)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577962559 1075373161 /nfs/dbraw/zinc/37/31/61/1075373161.db2.gz HPSOZWUHORBNOO-OAHLLOKOSA-N 0 3 390.448 -1.424 20 0 GAADHN O=C(Cc1nc2ncccn2n1)N[C@@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001577966702 1075373869 /nfs/dbraw/zinc/37/38/69/1075373869.db2.gz SZMVYAGSVUAYLV-KRWDZBQOSA-N 0 3 385.432 -1.029 20 0 GAADHN O=C(Cc1nc2ncccn2n1)N[C@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001577966703 1075374042 /nfs/dbraw/zinc/37/40/42/1075374042.db2.gz SZMVYAGSVUAYLV-QGZVFWFLSA-N 0 3 385.432 -1.029 20 0 GAADHN O=C(Cc1nc2ncccn2n1)NCCN1CCN(CCc2c[nH]nn2)CC1 ZINC001577966743 1075373957 /nfs/dbraw/zinc/37/39/57/1075373957.db2.gz UZHVXBXZUHUIES-UHFFFAOYSA-N 0 3 384.448 -1.239 20 0 GAADHN O=C(Cn1ccccc1=O)N1CC(n2cc(CNCCc3c[nH]nn3)nn2)C1 ZINC001577967875 1075374410 /nfs/dbraw/zinc/37/44/10/1075374410.db2.gz KYKQLBXIVYRASJ-UHFFFAOYSA-N 0 3 383.416 -1.026 20 0 GAADHN O=C(Cn1ccc(=O)[nH]c1=O)NCCCN1CCN(CCc2cn[nH]n2)CC1 ZINC001577968277 1075374314 /nfs/dbraw/zinc/37/43/14/1075374314.db2.gz XUIUIONIKDKSPJ-UHFFFAOYSA-N 0 3 390.448 -1.566 20 0 GAADHN O=C(NC1(CO)CCN(CCc2cn[nH]n2)CC1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001577977689 1075376528 /nfs/dbraw/zinc/37/65/28/1075376528.db2.gz VGMNEZUIZOOUGD-GFCCVEGCSA-N 0 3 390.448 -1.150 20 0 GAADHN O=C(NC1(CO)CCN(CCc2cn[nH]n2)CC1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001577977691 1075376603 /nfs/dbraw/zinc/37/66/03/1075376603.db2.gz VGMNEZUIZOOUGD-LBPRGKRZSA-N 0 3 390.448 -1.150 20 0 GAADHN O=C(NC[C@H](CO)NCCN1C(=O)CNC1=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001577987127 1075377139 /nfs/dbraw/zinc/37/71/39/1075377139.db2.gz HXGCUEQNRGCXIH-LLVKDONJSA-N 0 3 388.388 -1.901 20 0 GAADHN O=C(NC[C@@H](CO)NCCN1C(=O)CNC1=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001577987130 1075377196 /nfs/dbraw/zinc/37/71/96/1075377196.db2.gz HXGCUEQNRGCXIH-NSHDSACASA-N 0 3 388.388 -1.901 20 0 GAADHN O=C(N[C@H]1CCN(CCc2c[nH]nn2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988670 1075377594 /nfs/dbraw/zinc/37/75/94/1075377594.db2.gz PSSRDORCCJYOJD-KBPBESRZSA-N 0 3 391.436 -1.909 20 0 GAADHN O=C(N[C@@H]1CCN(CCc2c[nH]nn2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988671 1075377551 /nfs/dbraw/zinc/37/75/51/1075377551.db2.gz PSSRDORCCJYOJD-KGLIPLIRSA-N 0 3 391.436 -1.909 20 0 GAADHN O=C(N[C@H]1CCN(CCc2c[nH]nn2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988672 1075377661 /nfs/dbraw/zinc/37/76/61/1075377661.db2.gz PSSRDORCCJYOJD-UONOGXRCSA-N 0 3 391.436 -1.909 20 0 GAADHN O=C(N[C@@H]1CCN(CCc2c[nH]nn2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988673 1075377677 /nfs/dbraw/zinc/37/76/77/1075377677.db2.gz PSSRDORCCJYOJD-ZIAGYGMSSA-N 0 3 391.436 -1.909 20 0 GAADHN O=C(CN[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)N1CCCC1 ZINC001577989602 1075377486 /nfs/dbraw/zinc/37/74/86/1075377486.db2.gz TXEOHJROURVGRE-CABCVRRESA-N 0 3 379.465 -1.542 20 0 GAADHN O=C(CN[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)N1CCCC1 ZINC001577989604 1075377511 /nfs/dbraw/zinc/37/75/11/1075377511.db2.gz TXEOHJROURVGRE-GJZGRUSLSA-N 0 3 379.465 -1.542 20 0 GAADHN O=C(NCC1CN(CCN2C(=O)CCC2=O)C1)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001578001510 1075379032 /nfs/dbraw/zinc/37/90/32/1075379032.db2.gz JLQRZXNPLADYPI-HNNXBMFYSA-N 0 3 389.460 -1.034 20 0 GAADHN O=C(NCCCN1CCN(Cc2c[nH]nn2)CC1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001578009932 1075381224 /nfs/dbraw/zinc/38/12/24/1075381224.db2.gz MWIQHDLDWQIZAL-CYBMUJFWSA-N 0 3 389.464 -1.012 20 0 GAADHN O=C(NCCCN1CCN(Cc2c[nH]nn2)CC1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001578009934 1075381288 /nfs/dbraw/zinc/38/12/88/1075381288.db2.gz MWIQHDLDWQIZAL-ZDUSSCGKSA-N 0 3 389.464 -1.012 20 0 GAADHN O=C(N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2cn[nH]n2)cn1 ZINC001578019516 1075381947 /nfs/dbraw/zinc/38/19/47/1075381947.db2.gz PCAYJYJUUQDDBI-IAOVAPTHSA-N 0 3 398.427 -1.101 20 0 GAADHN O=C(N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2cn[nH]n2)cn1 ZINC001578019517 1075382160 /nfs/dbraw/zinc/38/21/60/1075382160.db2.gz PCAYJYJUUQDDBI-KBRIMQKVSA-N 0 3 398.427 -1.101 20 0 GAADHN O=C([C@@H]1CCCN1Cc1c[nH]nn1)N1C[C@@H]2C[C@H]1CN2[C@H]1CCC(=O)NC1=O ZINC001578046633 1075385044 /nfs/dbraw/zinc/38/50/44/1075385044.db2.gz ACSSGHQFFFZRQD-AJNGGQMLSA-N 0 3 387.444 -1.141 20 0 GAADHN O=C([C@@H]1CCCN1Cc1c[nH]nn1)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCC(=O)NC1=O ZINC001578046635 1075385105 /nfs/dbraw/zinc/38/51/05/1075385105.db2.gz ACSSGHQFFFZRQD-XQLPTFJDSA-N 0 3 387.444 -1.141 20 0 GAADHN O=C(CN1CCNC(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCc2cn[nH]n2)C1 ZINC001578046652 1075385160 /nfs/dbraw/zinc/38/51/60/1075385160.db2.gz ZDUDMPZLVNZZRD-VXGBXAGGSA-N 0 3 389.382 -1.242 20 0 GAADHN O=C(NCC[C@H]1CCN(CCc2cn[nH]n2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001578048021 1075386536 /nfs/dbraw/zinc/38/65/36/1075386536.db2.gz CQIDHDZZHHNBQK-AAEUAGOBSA-N 0 3 384.462 -1.911 20 0 GAADHN O=C(NCC[C@@H]1CCN(CCc2cn[nH]n2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001578048026 1075386393 /nfs/dbraw/zinc/38/63/93/1075386393.db2.gz CQIDHDZZHHNBQK-YPMHNXCESA-N 0 3 384.462 -1.911 20 0 GAADHN O=C(N[C@H]1CCCN(CCc2c[nH]nn2)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001578050408 1075388997 /nfs/dbraw/zinc/38/89/97/1075388997.db2.gz NZQIYUIZYNVJDT-AAEUAGOBSA-N 0 3 384.462 -1.769 20 0 GAADHN O=C(N[C@@H]1CCCN(CCc2c[nH]nn2)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001578050410 1075388866 /nfs/dbraw/zinc/38/88/66/1075388866.db2.gz NZQIYUIZYNVJDT-YPMHNXCESA-N 0 3 384.462 -1.769 20 0 GAADHN O=C(N[C@H](CNCc1c[nH]nn1)C1CCCC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001578050610 1075389354 /nfs/dbraw/zinc/38/93/54/1075389354.db2.gz POZDXCOJYKUXRY-OLZOCXBDSA-N 0 3 384.462 -1.518 20 0 GAADHN O=C(N[C@@H](CNCc1c[nH]nn1)C1CCCC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001578050611 1075389472 /nfs/dbraw/zinc/38/94/72/1075389472.db2.gz POZDXCOJYKUXRY-STQMWFEESA-N 0 3 384.462 -1.518 20 0 GAADHN O=C(CCCc1cnn[nH]1)N1CCN(CCCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001578051731 1075390185 /nfs/dbraw/zinc/39/01/85/1075390185.db2.gz ZVNBKVIKJPONBK-AWEZNQCLSA-N 0 3 392.464 -1.541 20 0 GAADHN O=C(CCCc1cnn[nH]1)N1CCN(CCCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001578051732 1075390347 /nfs/dbraw/zinc/39/03/47/1075390347.db2.gz ZVNBKVIKJPONBK-CQSZACIVSA-N 0 3 392.464 -1.541 20 0 GAADHN CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001578217957 1075397847 /nfs/dbraw/zinc/39/78/47/1075397847.db2.gz VDBHDEWVXLTAAT-NEPJUHHUSA-N 0 3 376.421 -1.162 20 0 GAADHN CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001578217958 1075397895 /nfs/dbraw/zinc/39/78/95/1075397895.db2.gz VDBHDEWVXLTAAT-NWDGAFQWSA-N 0 3 376.421 -1.162 20 0 GAADHN CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001578217959 1075397925 /nfs/dbraw/zinc/39/79/25/1075397925.db2.gz VDBHDEWVXLTAAT-RYUDHWBXSA-N 0 3 376.421 -1.162 20 0 GAADHN CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001578217960 1075397939 /nfs/dbraw/zinc/39/79/39/1075397939.db2.gz VDBHDEWVXLTAAT-VXGBXAGGSA-N 0 3 376.421 -1.162 20 0 GAADHN CCN1CCO[C@H](C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001578224314 1075401923 /nfs/dbraw/zinc/40/19/23/1075401923.db2.gz LRZLLOYONWFYHW-DOMZBBRYSA-N 0 3 390.448 -1.398 20 0 GAADHN CCN1CCO[C@@H](C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001578224315 1075401959 /nfs/dbraw/zinc/40/19/59/1075401959.db2.gz LRZLLOYONWFYHW-IUODEOHRSA-N 0 3 390.448 -1.398 20 0 GAADHN CCN1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001578224316 1075401759 /nfs/dbraw/zinc/40/17/59/1075401759.db2.gz LRZLLOYONWFYHW-SWLSCSKDSA-N 0 3 390.448 -1.398 20 0 GAADHN CCN1CCO[C@H](C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001578224317 1075401988 /nfs/dbraw/zinc/40/19/88/1075401988.db2.gz LRZLLOYONWFYHW-WFASDCNBSA-N 0 3 390.448 -1.398 20 0 GAADHN CCN1CCO[C@H](C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001578224318 1075401892 /nfs/dbraw/zinc/40/18/92/1075401892.db2.gz LSNVZCBLURSPTA-DOMZBBRYSA-N 0 3 390.448 -1.398 20 0 GAADHN CCN1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001578224319 1075401742 /nfs/dbraw/zinc/40/17/42/1075401742.db2.gz LSNVZCBLURSPTA-IUODEOHRSA-N 0 3 390.448 -1.398 20 0 GAADHN CCN1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001578224320 1075401722 /nfs/dbraw/zinc/40/17/22/1075401722.db2.gz LSNVZCBLURSPTA-SWLSCSKDSA-N 0 3 390.448 -1.398 20 0 GAADHN CCN1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001578224321 1075401976 /nfs/dbraw/zinc/40/19/76/1075401976.db2.gz LSNVZCBLURSPTA-WFASDCNBSA-N 0 3 390.448 -1.398 20 0 GAADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578225050 1075403738 /nfs/dbraw/zinc/40/37/38/1075403738.db2.gz YAQQPGJTAXVZFZ-BPLDGKMQSA-N 0 3 388.432 -1.352 20 0 GAADHN CCN1CCO[C@H](C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001578225051 1075403635 /nfs/dbraw/zinc/40/36/35/1075403635.db2.gz YAQQPGJTAXVZFZ-SNPRPXQTSA-N 0 3 388.432 -1.352 20 0 GAADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001578225052 1075403854 /nfs/dbraw/zinc/40/38/54/1075403854.db2.gz YAQQPGJTAXVZFZ-VHDGCEQUSA-N 0 3 388.432 -1.352 20 0 GAADHN CCN1CCO[C@H](C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578225053 1075403889 /nfs/dbraw/zinc/40/38/89/1075403889.db2.gz YAQQPGJTAXVZFZ-YUELXQCFSA-N 0 3 388.432 -1.352 20 0 GAADHN CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001578237324 1075412925 /nfs/dbraw/zinc/41/29/25/1075412925.db2.gz GMUOHZFTZKWEEQ-UHFFFAOYSA-N 0 3 376.421 -1.112 20 0 GAADHN CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001578237521 1075413348 /nfs/dbraw/zinc/41/33/48/1075413348.db2.gz LYLWRIANPPEYPC-UHFFFAOYSA-N 0 3 376.421 -1.112 20 0 GAADHN CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001578237735 1075413355 /nfs/dbraw/zinc/41/33/55/1075413355.db2.gz RKMXQYWIQHRZIQ-UHFFFAOYSA-N 0 3 376.421 -1.112 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001578238048 1075413501 /nfs/dbraw/zinc/41/35/01/1075413501.db2.gz APZBOMGKDMDMIK-SECBINFHSA-N 0 3 377.409 -1.004 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001578238049 1075413440 /nfs/dbraw/zinc/41/34/40/1075413440.db2.gz APZBOMGKDMDMIK-VIFPVBQESA-N 0 3 377.409 -1.004 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001578238185 1075413375 /nfs/dbraw/zinc/41/33/75/1075413375.db2.gz HQPMYGMUOWNMCH-SECBINFHSA-N 0 3 377.409 -1.004 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001578238186 1075413859 /nfs/dbraw/zinc/41/38/59/1075413859.db2.gz HQPMYGMUOWNMCH-VIFPVBQESA-N 0 3 377.409 -1.004 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578238323 1075413939 /nfs/dbraw/zinc/41/39/39/1075413939.db2.gz LEMJRQJIANPWRU-AOOOYVTPSA-N 0 3 375.393 -1.109 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578238324 1075413759 /nfs/dbraw/zinc/41/37/59/1075413759.db2.gz LEMJRQJIANPWRU-MGCOHNPYSA-N 0 3 375.393 -1.109 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578238541 1075413924 /nfs/dbraw/zinc/41/39/24/1075413924.db2.gz PROQFBFCOWGDMJ-KYZUINATSA-N 0 3 375.393 -1.109 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578238736 1075414341 /nfs/dbraw/zinc/41/43/41/1075414341.db2.gz UDULJTYFBUZXDY-AOOOYVTPSA-N 0 3 375.393 -1.109 20 0 GAADHN CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578238737 1075414331 /nfs/dbraw/zinc/41/43/31/1075414331.db2.gz UDULJTYFBUZXDY-MGCOHNPYSA-N 0 3 375.393 -1.109 20 0 GAADHN CCc1nnc(N2C[C@@H]3[C@@H](N)CS(=O)(=O)[C@@H]3C2)n1CCN(C)CCOC ZINC001578305144 1075415875 /nfs/dbraw/zinc/41/58/75/1075415875.db2.gz KGIWTIUBBYZHFD-HZSPNIEDSA-N 0 3 386.522 -1.021 20 0 GAADHN CCc1nnc(N2C[C@H]3[C@H](C2)S(=O)(=O)C[C@H]3N)n1CCN(C)CCOC ZINC001578305145 1075415901 /nfs/dbraw/zinc/41/59/01/1075415901.db2.gz KGIWTIUBBYZHFD-MCIONIFRSA-N 0 3 386.522 -1.021 20 0 GAADHN CCc1nnc(N2C[C@@H]3[C@H](N)CS(=O)(=O)[C@@H]3C2)n1CCN(C)CCOC ZINC001578305146 1075415937 /nfs/dbraw/zinc/41/59/37/1075415937.db2.gz KGIWTIUBBYZHFD-MGPQQGTHSA-N 0 3 386.522 -1.021 20 0 GAADHN CCc1nnc(N2C[C@@H]3[C@@H](N)CS(=O)(=O)[C@H]3C2)n1CCN(C)CCOC ZINC001578305147 1075416061 /nfs/dbraw/zinc/41/60/61/1075416061.db2.gz KGIWTIUBBYZHFD-RDBSUJKOSA-N 0 3 386.522 -1.021 20 0 GAADHN CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578415797 1075425369 /nfs/dbraw/zinc/42/53/69/1075425369.db2.gz JSZLETSAJOGFRD-MGCOHNPYSA-N 0 3 382.450 -1.016 20 0 GAADHN CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O)[NH+](C)C ZINC001578420206 1075427382 /nfs/dbraw/zinc/42/73/82/1075427382.db2.gz ZPPFNSOHDGVJNH-AGIUHOORSA-N 0 3 375.437 -1.029 20 0 GAADHN CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O)[NH+](C)C ZINC001578420207 1075427410 /nfs/dbraw/zinc/42/74/10/1075427410.db2.gz ZPPFNSOHDGVJNH-FRRDWIJNSA-N 0 3 375.437 -1.029 20 0 GAADHN CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O)[NH+](C)C ZINC001578472310 1075428339 /nfs/dbraw/zinc/42/83/39/1075428339.db2.gz ZPPFNSOHDGVJNH-JHJVBQTASA-N 0 3 375.437 -1.029 20 0 GAADHN CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O)[NH+](C)C ZINC001578472312 1075428353 /nfs/dbraw/zinc/42/83/53/1075428353.db2.gz ZPPFNSOHDGVJNH-UPJWGTAASA-N 0 3 375.437 -1.029 20 0 GAADHN CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N)COC2)CC1=O ZINC001578536727 1075429293 /nfs/dbraw/zinc/42/92/93/1075429293.db2.gz GBQXGLXXISZURF-LLVKDONJSA-N 0 3 384.462 -1.814 20 0 GAADHN CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N)COC2)CC1=O ZINC001578536730 1075429351 /nfs/dbraw/zinc/42/93/51/1075429351.db2.gz GBQXGLXXISZURF-NSHDSACASA-N 0 3 384.462 -1.814 20 0 GAADHN CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001578958603 1075456533 /nfs/dbraw/zinc/45/65/33/1075456533.db2.gz FKYBTWYQPBYGST-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001578959192 1075457035 /nfs/dbraw/zinc/45/70/35/1075457035.db2.gz PFLWFDLAWHRVPB-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001578959194 1075457088 /nfs/dbraw/zinc/45/70/88/1075457088.db2.gz PGKGTOXXURQSDN-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001578968569 1075458537 /nfs/dbraw/zinc/45/85/37/1075458537.db2.gz JTWYRCXNFQFLER-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001578968569 1075458533 /nfs/dbraw/zinc/45/85/33/1075458533.db2.gz JTWYRCXNFQFLER-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001578969394 1075458425 /nfs/dbraw/zinc/45/84/25/1075458425.db2.gz WHNNWIZFLKVMAG-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001578969394 1075458421 /nfs/dbraw/zinc/45/84/21/1075458421.db2.gz WHNNWIZFLKVMAG-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001578970457 1075458439 /nfs/dbraw/zinc/45/84/39/1075458439.db2.gz BVEZOSYITSJFQM-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001578970457 1075458434 /nfs/dbraw/zinc/45/84/34/1075458434.db2.gz BVEZOSYITSJFQM-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001578970458 1075458394 /nfs/dbraw/zinc/45/83/94/1075458394.db2.gz BVEZOSYITSJFQM-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001578970458 1075458391 /nfs/dbraw/zinc/45/83/91/1075458391.db2.gz BVEZOSYITSJFQM-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001578970752 1075458470 /nfs/dbraw/zinc/45/84/70/1075458470.db2.gz ICWPLJNFZDITFV-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001578970752 1075458466 /nfs/dbraw/zinc/45/84/66/1075458466.db2.gz ICWPLJNFZDITFV-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC1 ZINC001578970753 1075458525 /nfs/dbraw/zinc/45/85/25/1075458525.db2.gz ICWPLJNFZDITFV-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC1 ZINC001578970753 1075458521 /nfs/dbraw/zinc/45/85/21/1075458521.db2.gz ICWPLJNFZDITFV-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001578970760 1075458456 /nfs/dbraw/zinc/45/84/56/1075458456.db2.gz IHVNLYZGZIGXBJ-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001578970760 1075458450 /nfs/dbraw/zinc/45/84/50/1075458450.db2.gz IHVNLYZGZIGXBJ-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001578970932 1075458593 /nfs/dbraw/zinc/45/85/93/1075458593.db2.gz ORQFQLNUHFJSEO-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001578970932 1075458590 /nfs/dbraw/zinc/45/85/90/1075458590.db2.gz ORQFQLNUHFJSEO-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CC1 ZINC001578970933 1075458614 /nfs/dbraw/zinc/45/86/14/1075458614.db2.gz ORQFQLNUHFJSEO-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CC1 ZINC001578970933 1075458613 /nfs/dbraw/zinc/45/86/13/1075458613.db2.gz ORQFQLNUHFJSEO-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001578971030 1075458556 /nfs/dbraw/zinc/45/85/56/1075458556.db2.gz RDLBVWDBSZNAED-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001578971030 1075458552 /nfs/dbraw/zinc/45/85/52/1075458552.db2.gz RDLBVWDBSZNAED-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001578971031 1075458516 /nfs/dbraw/zinc/45/85/16/1075458516.db2.gz RDLBVWDBSZNAED-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001578971031 1075458513 /nfs/dbraw/zinc/45/85/13/1075458513.db2.gz RDLBVWDBSZNAED-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001578971176 1075458409 /nfs/dbraw/zinc/45/84/09/1075458409.db2.gz WQBFANUKJXQHOE-JTQLQIEISA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001578971176 1075458405 /nfs/dbraw/zinc/45/84/05/1075458405.db2.gz WQBFANUKJXQHOE-JTQLQIEISA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001578971177 1075459131 /nfs/dbraw/zinc/45/91/31/1075459131.db2.gz WQBFANUKJXQHOE-SNVBAGLBSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001578971177 1075459127 /nfs/dbraw/zinc/45/91/27/1075459127.db2.gz WQBFANUKJXQHOE-SNVBAGLBSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001578971273 1075458994 /nfs/dbraw/zinc/45/89/94/1075458994.db2.gz AJLUTNWOKNAZHH-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001578971273 1075458991 /nfs/dbraw/zinc/45/89/91/1075458991.db2.gz AJLUTNWOKNAZHH-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001578971274 1075459065 /nfs/dbraw/zinc/45/90/65/1075459065.db2.gz AJLUTNWOKNAZHH-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001578971274 1075459060 /nfs/dbraw/zinc/45/90/60/1075459060.db2.gz AJLUTNWOKNAZHH-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001578971279 1075459104 /nfs/dbraw/zinc/45/91/04/1075459104.db2.gz AMWISGOYIXGLIY-JTQLQIEISA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001578971279 1075459100 /nfs/dbraw/zinc/45/91/00/1075459100.db2.gz AMWISGOYIXGLIY-JTQLQIEISA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001578971280 1075458982 /nfs/dbraw/zinc/45/89/82/1075458982.db2.gz AMWISGOYIXGLIY-SNVBAGLBSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001578971280 1075458979 /nfs/dbraw/zinc/45/89/79/1075458979.db2.gz AMWISGOYIXGLIY-SNVBAGLBSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001578971484 1075459018 /nfs/dbraw/zinc/45/90/18/1075459018.db2.gz HATWNEZROYGHNX-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001578971484 1075459014 /nfs/dbraw/zinc/45/90/14/1075459014.db2.gz HATWNEZROYGHNX-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001578971485 1075459196 /nfs/dbraw/zinc/45/91/96/1075459196.db2.gz HATWNEZROYGHNX-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001578971485 1075459192 /nfs/dbraw/zinc/45/91/92/1075459192.db2.gz HATWNEZROYGHNX-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001578971507 1075459032 /nfs/dbraw/zinc/45/90/32/1075459032.db2.gz IHXNSPUQHKGQMM-JTQLQIEISA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001578971507 1075459027 /nfs/dbraw/zinc/45/90/27/1075459027.db2.gz IHXNSPUQHKGQMM-JTQLQIEISA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001578971508 1075459006 /nfs/dbraw/zinc/45/90/06/1075459006.db2.gz IHXNSPUQHKGQMM-SNVBAGLBSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001578971508 1075459000 /nfs/dbraw/zinc/45/90/00/1075459000.db2.gz IHXNSPUQHKGQMM-SNVBAGLBSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001578971755 1075459076 /nfs/dbraw/zinc/45/90/76/1075459076.db2.gz JUEAFXJHTWTMRB-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001578971755 1075459074 /nfs/dbraw/zinc/45/90/74/1075459074.db2.gz JUEAFXJHTWTMRB-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001578972545 1075459146 /nfs/dbraw/zinc/45/91/46/1075459146.db2.gz QTCVNZDXFKYGCW-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001578972545 1075459141 /nfs/dbraw/zinc/45/91/41/1075459141.db2.gz QTCVNZDXFKYGCW-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001578972564 1075458958 /nfs/dbraw/zinc/45/89/58/1075458958.db2.gz RMIKAFOTCAXFKS-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001578972564 1075458953 /nfs/dbraw/zinc/45/89/53/1075458953.db2.gz RMIKAFOTCAXFKS-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001578972567 1075458971 /nfs/dbraw/zinc/45/89/71/1075458971.db2.gz RMIKAFOTCAXFKS-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001578972567 1075458967 /nfs/dbraw/zinc/45/89/67/1075458967.db2.gz RMIKAFOTCAXFKS-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)CC1 ZINC001578972583 1075459118 /nfs/dbraw/zinc/45/91/18/1075459118.db2.gz RUSNIZKOEXCKFB-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)CC1 ZINC001578972583 1075459114 /nfs/dbraw/zinc/45/91/14/1075459114.db2.gz RUSNIZKOEXCKFB-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)CC1 ZINC001578972586 1075459050 /nfs/dbraw/zinc/45/90/50/1075459050.db2.gz RUSNIZKOEXCKFB-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)CC1 ZINC001578972586 1075459046 /nfs/dbraw/zinc/45/90/46/1075459046.db2.gz RUSNIZKOEXCKFB-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)CC1 ZINC001578972614 1075459170 /nfs/dbraw/zinc/45/91/70/1075459170.db2.gz SEDIRGJJFMWZIX-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)CC1 ZINC001578972614 1075459167 /nfs/dbraw/zinc/45/91/67/1075459167.db2.gz SEDIRGJJFMWZIX-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CC1 ZINC001578972616 1075459161 /nfs/dbraw/zinc/45/91/61/1075459161.db2.gz SEDIRGJJFMWZIX-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CC1 ZINC001578972616 1075459155 /nfs/dbraw/zinc/45/91/55/1075459155.db2.gz SEDIRGJJFMWZIX-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001578973072 1075459090 /nfs/dbraw/zinc/45/90/90/1075459090.db2.gz WLFKOPVDQJFVLV-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001578973072 1075459086 /nfs/dbraw/zinc/45/90/86/1075459086.db2.gz WLFKOPVDQJFVLV-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001578973073 1075459514 /nfs/dbraw/zinc/45/95/14/1075459514.db2.gz WLFKOPVDQJFVLV-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001578973073 1075459510 /nfs/dbraw/zinc/45/95/10/1075459510.db2.gz WLFKOPVDQJFVLV-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)CC1 ZINC001578973346 1075459562 /nfs/dbraw/zinc/45/95/62/1075459562.db2.gz YEYCXRCICNREQG-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)CC1 ZINC001578973346 1075459558 /nfs/dbraw/zinc/45/95/58/1075459558.db2.gz YEYCXRCICNREQG-CHWSQXEVSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)CC1 ZINC001578973347 1075459545 /nfs/dbraw/zinc/45/95/45/1075459545.db2.gz YEYCXRCICNREQG-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)CC1 ZINC001578973347 1075459540 /nfs/dbraw/zinc/45/95/40/1075459540.db2.gz YEYCXRCICNREQG-OLZOCXBDSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001578973402 1075459648 /nfs/dbraw/zinc/45/96/48/1075459648.db2.gz ZUKFLIAZPDHZII-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001578973402 1075459642 /nfs/dbraw/zinc/45/96/42/1075459642.db2.gz ZUKFLIAZPDHZII-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578973802 1075459430 /nfs/dbraw/zinc/45/94/30/1075459430.db2.gz BTAQVUJKBRFBRP-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578973802 1075459425 /nfs/dbraw/zinc/45/94/25/1075459425.db2.gz BTAQVUJKBRFBRP-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578973803 1075459398 /nfs/dbraw/zinc/45/93/98/1075459398.db2.gz BTAQVUJKBRFBRP-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578973803 1075459392 /nfs/dbraw/zinc/45/93/92/1075459392.db2.gz BTAQVUJKBRFBRP-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001578973836 1075459414 /nfs/dbraw/zinc/45/94/14/1075459414.db2.gz CUIHHFGEYYGOHC-AAEUAGOBSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001578973836 1075459410 /nfs/dbraw/zinc/45/94/10/1075459410.db2.gz CUIHHFGEYYGOHC-AAEUAGOBSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001578973837 1075459606 /nfs/dbraw/zinc/45/96/06/1075459606.db2.gz CUIHHFGEYYGOHC-DGCLKSJQSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001578973837 1075459601 /nfs/dbraw/zinc/45/96/01/1075459601.db2.gz CUIHHFGEYYGOHC-DGCLKSJQSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001578973838 1075459594 /nfs/dbraw/zinc/45/95/94/1075459594.db2.gz CUIHHFGEYYGOHC-WCQYABFASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001578973838 1075459589 /nfs/dbraw/zinc/45/95/89/1075459589.db2.gz CUIHHFGEYYGOHC-WCQYABFASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001578973839 1075459681 /nfs/dbraw/zinc/45/96/81/1075459681.db2.gz CUIHHFGEYYGOHC-YPMHNXCESA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001578973839 1075459675 /nfs/dbraw/zinc/45/96/75/1075459675.db2.gz CUIHHFGEYYGOHC-YPMHNXCESA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578973944 1075459487 /nfs/dbraw/zinc/45/94/87/1075459487.db2.gz CYTFHCZODFLFHE-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001578973944 1075459484 /nfs/dbraw/zinc/45/94/84/1075459484.db2.gz CYTFHCZODFLFHE-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578973945 1075459443 /nfs/dbraw/zinc/45/94/43/1075459443.db2.gz CYTFHCZODFLFHE-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001578973945 1075459438 /nfs/dbraw/zinc/45/94/38/1075459438.db2.gz CYTFHCZODFLFHE-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578974561 1075459529 /nfs/dbraw/zinc/45/95/29/1075459529.db2.gz PFLVXLNCQNYCET-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001578974561 1075459525 /nfs/dbraw/zinc/45/95/25/1075459525.db2.gz PFLVXLNCQNYCET-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578974562 1075459459 /nfs/dbraw/zinc/45/94/59/1075459459.db2.gz PFLVXLNCQNYCET-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001578974562 1075459455 /nfs/dbraw/zinc/45/94/55/1075459455.db2.gz PFLVXLNCQNYCET-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578974621 1075459499 /nfs/dbraw/zinc/45/94/99/1075459499.db2.gz PUDGTFXFMYBTEJ-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001578974621 1075459495 /nfs/dbraw/zinc/45/94/95/1075459495.db2.gz PUDGTFXFMYBTEJ-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578974702 1075459579 /nfs/dbraw/zinc/45/95/79/1075459579.db2.gz RETZEFDCYULFBD-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578974702 1075459574 /nfs/dbraw/zinc/45/95/74/1075459574.db2.gz RETZEFDCYULFBD-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001578974915 1075460050 /nfs/dbraw/zinc/46/00/50/1075460050.db2.gz XHWGOMUEOPDPIW-GWCFXTLKSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001578974915 1075460049 /nfs/dbraw/zinc/46/00/49/1075460049.db2.gz XHWGOMUEOPDPIW-GWCFXTLKSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001578974916 1075460111 /nfs/dbraw/zinc/46/01/11/1075460111.db2.gz XHWGOMUEOPDPIW-GXFFZTMASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001578974916 1075460108 /nfs/dbraw/zinc/46/01/08/1075460108.db2.gz XHWGOMUEOPDPIW-GXFFZTMASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001578974917 1075460090 /nfs/dbraw/zinc/46/00/90/1075460090.db2.gz XHWGOMUEOPDPIW-MFKMUULPSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001578974917 1075460088 /nfs/dbraw/zinc/46/00/88/1075460088.db2.gz XHWGOMUEOPDPIW-MFKMUULPSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001578974918 1075460105 /nfs/dbraw/zinc/46/01/05/1075460105.db2.gz XHWGOMUEOPDPIW-ZWNOBZJWSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001578974918 1075460103 /nfs/dbraw/zinc/46/01/03/1075460103.db2.gz XHWGOMUEOPDPIW-ZWNOBZJWSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578975959 1075460069 /nfs/dbraw/zinc/46/00/69/1075460069.db2.gz LTTQWFHFJHBAGD-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001578975959 1075460067 /nfs/dbraw/zinc/46/00/67/1075460067.db2.gz LTTQWFHFJHBAGD-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578975987 1075460077 /nfs/dbraw/zinc/46/00/77/1075460077.db2.gz MPOVBJKMZHDMRI-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001578975987 1075460073 /nfs/dbraw/zinc/46/00/73/1075460073.db2.gz MPOVBJKMZHDMRI-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578976169 1075460133 /nfs/dbraw/zinc/46/01/33/1075460133.db2.gz PVZIPPBIPJXKJY-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578976169 1075460129 /nfs/dbraw/zinc/46/01/29/1075460129.db2.gz PVZIPPBIPJXKJY-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001578977810 1075460141 /nfs/dbraw/zinc/46/01/41/1075460141.db2.gz AIPDHZYPEFPLRD-GWCFXTLKSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001578977810 1075460139 /nfs/dbraw/zinc/46/01/39/1075460139.db2.gz AIPDHZYPEFPLRD-GWCFXTLKSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001578977813 1075460011 /nfs/dbraw/zinc/46/00/11/1075460011.db2.gz AIPDHZYPEFPLRD-GXFFZTMASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001578977813 1075460008 /nfs/dbraw/zinc/46/00/08/1075460008.db2.gz AIPDHZYPEFPLRD-GXFFZTMASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001578977815 1075460045 /nfs/dbraw/zinc/46/00/45/1075460045.db2.gz AIPDHZYPEFPLRD-MFKMUULPSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001578977815 1075460044 /nfs/dbraw/zinc/46/00/44/1075460044.db2.gz AIPDHZYPEFPLRD-MFKMUULPSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001578977816 1075460019 /nfs/dbraw/zinc/46/00/19/1075460019.db2.gz AIPDHZYPEFPLRD-ZWNOBZJWSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001578977816 1075460017 /nfs/dbraw/zinc/46/00/17/1075460017.db2.gz AIPDHZYPEFPLRD-ZWNOBZJWSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001578977927 1075460031 /nfs/dbraw/zinc/46/00/31/1075460031.db2.gz BLZKDWRKQGRWOX-AAEUAGOBSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001578977927 1075460029 /nfs/dbraw/zinc/46/00/29/1075460029.db2.gz BLZKDWRKQGRWOX-AAEUAGOBSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001578977928 1075460084 /nfs/dbraw/zinc/46/00/84/1075460084.db2.gz BLZKDWRKQGRWOX-DGCLKSJQSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001578977928 1075460082 /nfs/dbraw/zinc/46/00/82/1075460082.db2.gz BLZKDWRKQGRWOX-DGCLKSJQSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001578977929 1075460041 /nfs/dbraw/zinc/46/00/41/1075460041.db2.gz BLZKDWRKQGRWOX-WCQYABFASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001578977929 1075460038 /nfs/dbraw/zinc/46/00/38/1075460038.db2.gz BLZKDWRKQGRWOX-WCQYABFASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001578977930 1075460125 /nfs/dbraw/zinc/46/01/25/1075460125.db2.gz BLZKDWRKQGRWOX-YPMHNXCESA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001578977930 1075460123 /nfs/dbraw/zinc/46/01/23/1075460123.db2.gz BLZKDWRKQGRWOX-YPMHNXCESA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001578979283 1075460055 /nfs/dbraw/zinc/46/00/55/1075460055.db2.gz YWEAHOVSYOBEPF-AAEUAGOBSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001578979283 1075460053 /nfs/dbraw/zinc/46/00/53/1075460053.db2.gz YWEAHOVSYOBEPF-AAEUAGOBSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001578979284 1075459999 /nfs/dbraw/zinc/45/99/99/1075459999.db2.gz YWEAHOVSYOBEPF-DGCLKSJQSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001578979284 1075459995 /nfs/dbraw/zinc/45/99/95/1075459995.db2.gz YWEAHOVSYOBEPF-DGCLKSJQSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001578979285 1075460118 /nfs/dbraw/zinc/46/01/18/1075460118.db2.gz YWEAHOVSYOBEPF-WCQYABFASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001578979285 1075460114 /nfs/dbraw/zinc/46/01/14/1075460114.db2.gz YWEAHOVSYOBEPF-WCQYABFASA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001578979286 1075460646 /nfs/dbraw/zinc/46/06/46/1075460646.db2.gz YWEAHOVSYOBEPF-YPMHNXCESA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001578979286 1075460644 /nfs/dbraw/zinc/46/06/44/1075460644.db2.gz YWEAHOVSYOBEPF-YPMHNXCESA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578980115 1075460550 /nfs/dbraw/zinc/46/05/50/1075460550.db2.gz APHUUMDKGOIXQQ-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001578980115 1075460545 /nfs/dbraw/zinc/46/05/45/1075460545.db2.gz APHUUMDKGOIXQQ-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578980116 1075460567 /nfs/dbraw/zinc/46/05/67/1075460567.db2.gz APHUUMDKGOIXQQ-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001578980116 1075460564 /nfs/dbraw/zinc/46/05/64/1075460564.db2.gz APHUUMDKGOIXQQ-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578980920 1075460657 /nfs/dbraw/zinc/46/06/57/1075460657.db2.gz QXKKTFWHJXFEDS-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001578980920 1075460653 /nfs/dbraw/zinc/46/06/53/1075460653.db2.gz QXKKTFWHJXFEDS-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578980921 1075460600 /nfs/dbraw/zinc/46/06/00/1075460600.db2.gz QXKKTFWHJXFEDS-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001578980921 1075460598 /nfs/dbraw/zinc/46/05/98/1075460598.db2.gz QXKKTFWHJXFEDS-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578981212 1075460591 /nfs/dbraw/zinc/46/05/91/1075460591.db2.gz UKIRCBUCBLWZQZ-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578981212 1075460590 /nfs/dbraw/zinc/46/05/90/1075460590.db2.gz UKIRCBUCBLWZQZ-INIZCTEOSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578981213 1075460577 /nfs/dbraw/zinc/46/05/77/1075460577.db2.gz UKIRCBUCBLWZQZ-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578981213 1075460576 /nfs/dbraw/zinc/46/05/76/1075460576.db2.gz UKIRCBUCBLWZQZ-MRXNPFEDSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001578982455 1075460636 /nfs/dbraw/zinc/46/06/36/1075460636.db2.gz PXVDBMLPLHUSLV-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001578982455 1075460634 /nfs/dbraw/zinc/46/06/34/1075460634.db2.gz PXVDBMLPLHUSLV-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578982463 1075460614 /nfs/dbraw/zinc/46/06/14/1075460614.db2.gz QLJRKSHZPKVXCM-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001578982463 1075460613 /nfs/dbraw/zinc/46/06/13/1075460613.db2.gz QLJRKSHZPKVXCM-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578982678 1075460683 /nfs/dbraw/zinc/46/06/83/1075460683.db2.gz YPTSCOGDBNKNEN-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578982678 1075460680 /nfs/dbraw/zinc/46/06/80/1075460680.db2.gz YPTSCOGDBNKNEN-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001578983286 1075460513 /nfs/dbraw/zinc/46/05/13/1075460513.db2.gz GFCJDWZROXRNTR-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001578983286 1075460509 /nfs/dbraw/zinc/46/05/09/1075460509.db2.gz GFCJDWZROXRNTR-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578983752 1075460537 /nfs/dbraw/zinc/46/05/37/1075460537.db2.gz QJFPEEFAUDPEPG-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001578983752 1075460534 /nfs/dbraw/zinc/46/05/34/1075460534.db2.gz QJFPEEFAUDPEPG-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578984216 1075460499 /nfs/dbraw/zinc/46/04/99/1075460499.db2.gz WYAJDJVTPCDAEN-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578984216 1075460494 /nfs/dbraw/zinc/46/04/94/1075460494.db2.gz WYAJDJVTPCDAEN-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001578987607 1075460627 /nfs/dbraw/zinc/46/06/27/1075460627.db2.gz KVCLDTKQVONPBN-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001578987607 1075460623 /nfs/dbraw/zinc/46/06/23/1075460623.db2.gz KVCLDTKQVONPBN-UHFFFAOYSA-N 0 3 376.421 -1.160 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001578990437 1075460558 /nfs/dbraw/zinc/46/05/58/1075460558.db2.gz ATZDWPLJTNOILC-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001578990437 1075460555 /nfs/dbraw/zinc/46/05/55/1075460555.db2.gz ATZDWPLJTNOILC-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001578990438 1075460669 /nfs/dbraw/zinc/46/06/69/1075460669.db2.gz ATZDWPLJTNOILC-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001578990438 1075460666 /nfs/dbraw/zinc/46/06/66/1075460666.db2.gz ATZDWPLJTNOILC-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001578990780 1075460481 /nfs/dbraw/zinc/46/04/81/1075460481.db2.gz JWWFSPHFWYOVEZ-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001578990780 1075460477 /nfs/dbraw/zinc/46/04/77/1075460477.db2.gz JWWFSPHFWYOVEZ-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001578990781 1075460608 /nfs/dbraw/zinc/46/06/08/1075460608.db2.gz JWWFSPHFWYOVEZ-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001578990781 1075460606 /nfs/dbraw/zinc/46/06/06/1075460606.db2.gz JWWFSPHFWYOVEZ-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001578990916 1075460524 /nfs/dbraw/zinc/46/05/24/1075460524.db2.gz LRJPHKHVTZJPGY-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001578990916 1075460520 /nfs/dbraw/zinc/46/05/20/1075460520.db2.gz LRJPHKHVTZJPGY-CHWSQXEVSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001578990917 1075461235 /nfs/dbraw/zinc/46/12/35/1075461235.db2.gz LRJPHKHVTZJPGY-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001578990917 1075461234 /nfs/dbraw/zinc/46/12/34/1075461234.db2.gz LRJPHKHVTZJPGY-OLZOCXBDSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C)Cc1cc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)no1 ZINC001578992796 1075461090 /nfs/dbraw/zinc/46/10/90/1075461090.db2.gz GVKVHBJMXCJOEQ-JTQLQIEISA-N 0 3 387.404 -1.064 20 0 GAADHN CN(C)Cc1cc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)no1 ZINC001578992797 1075461077 /nfs/dbraw/zinc/46/10/77/1075461077.db2.gz GVKVHBJMXCJOEQ-SNVBAGLBSA-N 0 3 387.404 -1.064 20 0 GAADHN CN(C)Cc1cc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)no1 ZINC001578992882 1075461118 /nfs/dbraw/zinc/46/11/18/1075461118.db2.gz LGRKLRMQMYOJLV-JTQLQIEISA-N 0 3 387.404 -1.064 20 0 GAADHN CN(C)Cc1cc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)no1 ZINC001578992883 1075461676 /nfs/dbraw/zinc/46/16/76/1075461676.db2.gz LGRKLRMQMYOJLV-SNVBAGLBSA-N 0 3 387.404 -1.064 20 0 GAADHN CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001578995558 1075461760 /nfs/dbraw/zinc/46/17/60/1075461760.db2.gz CTEMTJXSIHNCNY-UHFFFAOYSA-N 0 3 382.450 -1.532 20 0 GAADHN CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001578995558 1075461756 /nfs/dbraw/zinc/46/17/56/1075461756.db2.gz CTEMTJXSIHNCNY-UHFFFAOYSA-N 0 3 382.450 -1.532 20 0 GAADHN CN(C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579031216 1075485948 /nfs/dbraw/zinc/48/59/48/1075485948.db2.gz LWRXETPFBOMSLI-GFCCVEGCSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579031216 1075485946 /nfs/dbraw/zinc/48/59/46/1075485946.db2.gz LWRXETPFBOMSLI-GFCCVEGCSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579031217 1075485875 /nfs/dbraw/zinc/48/58/75/1075485875.db2.gz LWRXETPFBOMSLI-LBPRGKRZSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579031217 1075485872 /nfs/dbraw/zinc/48/58/72/1075485872.db2.gz LWRXETPFBOMSLI-LBPRGKRZSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579032296 1075487018 /nfs/dbraw/zinc/48/70/18/1075487018.db2.gz XCIUQTPHLLURSN-GFCCVEGCSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579032296 1075487014 /nfs/dbraw/zinc/48/70/14/1075487014.db2.gz XCIUQTPHLLURSN-GFCCVEGCSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579032297 1075487037 /nfs/dbraw/zinc/48/70/37/1075487037.db2.gz XCIUQTPHLLURSN-LBPRGKRZSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579032297 1075487034 /nfs/dbraw/zinc/48/70/34/1075487034.db2.gz XCIUQTPHLLURSN-LBPRGKRZSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001579034027 1075489377 /nfs/dbraw/zinc/48/93/77/1075489377.db2.gz FRDHPWQQDUVUAO-GFCCVEGCSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001579034027 1075489374 /nfs/dbraw/zinc/48/93/74/1075489374.db2.gz FRDHPWQQDUVUAO-GFCCVEGCSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001579034028 1075489300 /nfs/dbraw/zinc/48/93/00/1075489300.db2.gz FRDHPWQQDUVUAO-LBPRGKRZSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001579034028 1075489299 /nfs/dbraw/zinc/48/92/99/1075489299.db2.gz FRDHPWQQDUVUAO-LBPRGKRZSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC001579034601 1075490486 /nfs/dbraw/zinc/49/04/86/1075490486.db2.gz MBKYGULJXOYKER-GFCCVEGCSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC001579034601 1075490484 /nfs/dbraw/zinc/49/04/84/1075490484.db2.gz MBKYGULJXOYKER-GFCCVEGCSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC001579034602 1075490479 /nfs/dbraw/zinc/49/04/79/1075490479.db2.gz MBKYGULJXOYKER-LBPRGKRZSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC001579034602 1075490476 /nfs/dbraw/zinc/49/04/76/1075490476.db2.gz MBKYGULJXOYKER-LBPRGKRZSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579034719 1075490431 /nfs/dbraw/zinc/49/04/31/1075490431.db2.gz AIGCZCOMQOAKET-NEPJUHHUSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579034720 1075490403 /nfs/dbraw/zinc/49/04/03/1075490403.db2.gz AIGCZCOMQOAKET-NWDGAFQWSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579034721 1075490454 /nfs/dbraw/zinc/49/04/54/1075490454.db2.gz AIGCZCOMQOAKET-RYUDHWBXSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579034722 1075490518 /nfs/dbraw/zinc/49/05/18/1075490518.db2.gz AIGCZCOMQOAKET-VXGBXAGGSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579035535 1075491672 /nfs/dbraw/zinc/49/16/72/1075491672.db2.gz GNSGBKPLUGTEBK-CHWSQXEVSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579035535 1075491671 /nfs/dbraw/zinc/49/16/71/1075491671.db2.gz GNSGBKPLUGTEBK-CHWSQXEVSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579035536 1075491705 /nfs/dbraw/zinc/49/17/05/1075491705.db2.gz GNSGBKPLUGTEBK-OLZOCXBDSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579035536 1075491702 /nfs/dbraw/zinc/49/17/02/1075491702.db2.gz GNSGBKPLUGTEBK-OLZOCXBDSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579035537 1075491689 /nfs/dbraw/zinc/49/16/89/1075491689.db2.gz GNSGBKPLUGTEBK-QWHCGFSZSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579035537 1075491687 /nfs/dbraw/zinc/49/16/87/1075491687.db2.gz GNSGBKPLUGTEBK-QWHCGFSZSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579035538 1075491679 /nfs/dbraw/zinc/49/16/79/1075491679.db2.gz GNSGBKPLUGTEBK-STQMWFEESA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579035538 1075491676 /nfs/dbraw/zinc/49/16/76/1075491676.db2.gz GNSGBKPLUGTEBK-STQMWFEESA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579035923 1075492442 /nfs/dbraw/zinc/49/24/42/1075492442.db2.gz INKTUZMJYBUAAU-JTQLQIEISA-N 0 3 377.409 -1.758 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579035923 1075492440 /nfs/dbraw/zinc/49/24/40/1075492440.db2.gz INKTUZMJYBUAAU-JTQLQIEISA-N 0 3 377.409 -1.758 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579035924 1075492432 /nfs/dbraw/zinc/49/24/32/1075492432.db2.gz INKTUZMJYBUAAU-SNVBAGLBSA-N 0 3 377.409 -1.758 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579035924 1075492431 /nfs/dbraw/zinc/49/24/31/1075492431.db2.gz INKTUZMJYBUAAU-SNVBAGLBSA-N 0 3 377.409 -1.758 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579036001 1075492450 /nfs/dbraw/zinc/49/24/50/1075492450.db2.gz KOVXSZPEAUYUDO-NEPJUHHUSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579036001 1075492447 /nfs/dbraw/zinc/49/24/47/1075492447.db2.gz KOVXSZPEAUYUDO-NEPJUHHUSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579036002 1075492427 /nfs/dbraw/zinc/49/24/27/1075492427.db2.gz KOVXSZPEAUYUDO-NWDGAFQWSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579036002 1075492425 /nfs/dbraw/zinc/49/24/25/1075492425.db2.gz KOVXSZPEAUYUDO-NWDGAFQWSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579036003 1075492398 /nfs/dbraw/zinc/49/23/98/1075492398.db2.gz KOVXSZPEAUYUDO-RYUDHWBXSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579036003 1075492396 /nfs/dbraw/zinc/49/23/96/1075492396.db2.gz KOVXSZPEAUYUDO-RYUDHWBXSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579036004 1075492378 /nfs/dbraw/zinc/49/23/78/1075492378.db2.gz KOVXSZPEAUYUDO-VXGBXAGGSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579036004 1075492375 /nfs/dbraw/zinc/49/23/75/1075492375.db2.gz KOVXSZPEAUYUDO-VXGBXAGGSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579036237 1075492386 /nfs/dbraw/zinc/49/23/86/1075492386.db2.gz KWKBNBKJMGGSQI-GHMZBOCLSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579036237 1075492385 /nfs/dbraw/zinc/49/23/85/1075492385.db2.gz KWKBNBKJMGGSQI-GHMZBOCLSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579036238 1075492419 /nfs/dbraw/zinc/49/24/19/1075492419.db2.gz KWKBNBKJMGGSQI-MNOVXSKESA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579036238 1075492416 /nfs/dbraw/zinc/49/24/16/1075492416.db2.gz KWKBNBKJMGGSQI-MNOVXSKESA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579036239 1075492875 /nfs/dbraw/zinc/49/28/75/1075492875.db2.gz KWKBNBKJMGGSQI-QWRGUYRKSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579036239 1075492873 /nfs/dbraw/zinc/49/28/73/1075492873.db2.gz KWKBNBKJMGGSQI-QWRGUYRKSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579036240 1075492885 /nfs/dbraw/zinc/49/28/85/1075492885.db2.gz KWKBNBKJMGGSQI-WDEREUQCSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579036240 1075492882 /nfs/dbraw/zinc/49/28/82/1075492882.db2.gz KWKBNBKJMGGSQI-WDEREUQCSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579036681 1075493974 /nfs/dbraw/zinc/49/39/74/1075493974.db2.gz PFUQBUOTKGJLNT-NEPJUHHUSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579036682 1075494000 /nfs/dbraw/zinc/49/40/00/1075494000.db2.gz PFUQBUOTKGJLNT-NWDGAFQWSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579036683 1075494467 /nfs/dbraw/zinc/49/44/67/1075494467.db2.gz PFUQBUOTKGJLNT-RYUDHWBXSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579036684 1075494562 /nfs/dbraw/zinc/49/45/62/1075494562.db2.gz PFUQBUOTKGJLNT-VXGBXAGGSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579036798 1075494558 /nfs/dbraw/zinc/49/45/58/1075494558.db2.gz QWRVYNXAWBRGHY-NEPJUHHUSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579036798 1075494557 /nfs/dbraw/zinc/49/45/57/1075494557.db2.gz QWRVYNXAWBRGHY-NEPJUHHUSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579036799 1075494461 /nfs/dbraw/zinc/49/44/61/1075494461.db2.gz QWRVYNXAWBRGHY-NWDGAFQWSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579036799 1075494460 /nfs/dbraw/zinc/49/44/60/1075494460.db2.gz QWRVYNXAWBRGHY-NWDGAFQWSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579036800 1075494473 /nfs/dbraw/zinc/49/44/73/1075494473.db2.gz QWRVYNXAWBRGHY-RYUDHWBXSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579036800 1075494472 /nfs/dbraw/zinc/49/44/72/1075494472.db2.gz QWRVYNXAWBRGHY-RYUDHWBXSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579036801 1075494546 /nfs/dbraw/zinc/49/45/46/1075494546.db2.gz QWRVYNXAWBRGHY-VXGBXAGGSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579036801 1075494545 /nfs/dbraw/zinc/49/45/45/1075494545.db2.gz QWRVYNXAWBRGHY-VXGBXAGGSA-N 0 3 386.420 -1.004 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579036836 1075494552 /nfs/dbraw/zinc/49/45/52/1075494552.db2.gz RVNZATPDWHNFHF-CMPLNLGQSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579036837 1075494464 /nfs/dbraw/zinc/49/44/64/1075494464.db2.gz RVNZATPDWHNFHF-JQWIXIFHSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579036838 1075494488 /nfs/dbraw/zinc/49/44/88/1075494488.db2.gz RVNZATPDWHNFHF-PWSUYJOCSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579036839 1075494515 /nfs/dbraw/zinc/49/45/15/1075494515.db2.gz RVNZATPDWHNFHF-ZYHUDNBSSA-N 0 3 376.421 -1.162 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579037000 1075494454 /nfs/dbraw/zinc/49/44/54/1075494454.db2.gz SZBAIJAVKSRDHX-NEPJUHHUSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579037000 1075494453 /nfs/dbraw/zinc/49/44/53/1075494453.db2.gz SZBAIJAVKSRDHX-NEPJUHHUSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579037001 1075494524 /nfs/dbraw/zinc/49/45/24/1075494524.db2.gz SZBAIJAVKSRDHX-NWDGAFQWSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579037001 1075494521 /nfs/dbraw/zinc/49/45/21/1075494521.db2.gz SZBAIJAVKSRDHX-NWDGAFQWSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579037002 1075494871 /nfs/dbraw/zinc/49/48/71/1075494871.db2.gz SZBAIJAVKSRDHX-RYUDHWBXSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579037002 1075494870 /nfs/dbraw/zinc/49/48/70/1075494870.db2.gz SZBAIJAVKSRDHX-RYUDHWBXSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579037003 1075494858 /nfs/dbraw/zinc/49/48/58/1075494858.db2.gz SZBAIJAVKSRDHX-VXGBXAGGSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579037003 1075494854 /nfs/dbraw/zinc/49/48/54/1075494854.db2.gz SZBAIJAVKSRDHX-VXGBXAGGSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579037032 1075494893 /nfs/dbraw/zinc/49/48/93/1075494893.db2.gz UHMNHFHPYFGLMQ-CHWSQXEVSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579037032 1075494889 /nfs/dbraw/zinc/49/48/89/1075494889.db2.gz UHMNHFHPYFGLMQ-CHWSQXEVSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579037033 1075494794 /nfs/dbraw/zinc/49/47/94/1075494794.db2.gz UHMNHFHPYFGLMQ-OLZOCXBDSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579037033 1075494791 /nfs/dbraw/zinc/49/47/91/1075494791.db2.gz UHMNHFHPYFGLMQ-OLZOCXBDSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579037034 1075494935 /nfs/dbraw/zinc/49/49/35/1075494935.db2.gz UHMNHFHPYFGLMQ-QWHCGFSZSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579037034 1075494934 /nfs/dbraw/zinc/49/49/34/1075494934.db2.gz UHMNHFHPYFGLMQ-QWHCGFSZSA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579037035 1075494976 /nfs/dbraw/zinc/49/49/76/1075494976.db2.gz UHMNHFHPYFGLMQ-STQMWFEESA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579037035 1075494975 /nfs/dbraw/zinc/49/49/75/1075494975.db2.gz UHMNHFHPYFGLMQ-STQMWFEESA-N 0 3 389.420 -1.525 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCNC(N)=O ZINC001579037928 1075495601 /nfs/dbraw/zinc/49/56/01/1075495601.db2.gz DXJIYVOIAIGETD-CYBMUJFWSA-N 0 3 376.421 -1.166 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCNC(N)=O ZINC001579037928 1075495599 /nfs/dbraw/zinc/49/55/99/1075495599.db2.gz DXJIYVOIAIGETD-CYBMUJFWSA-N 0 3 376.421 -1.166 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCNC(N)=O ZINC001579037929 1075495620 /nfs/dbraw/zinc/49/56/20/1075495620.db2.gz DXJIYVOIAIGETD-ZDUSSCGKSA-N 0 3 376.421 -1.166 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCNC(N)=O ZINC001579037929 1075495618 /nfs/dbraw/zinc/49/56/18/1075495618.db2.gz DXJIYVOIAIGETD-ZDUSSCGKSA-N 0 3 376.421 -1.166 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)c1nnn(C)n1 ZINC001579038029 1075495489 /nfs/dbraw/zinc/49/54/89/1075495489.db2.gz GSIOIAPDTGKOEE-JTQLQIEISA-N 0 3 390.383 -1.248 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)c1nnn(C)n1 ZINC001579038032 1075495472 /nfs/dbraw/zinc/49/54/72/1075495472.db2.gz GSIOIAPDTGKOEE-SNVBAGLBSA-N 0 3 390.383 -1.248 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)Cn1ncnn1 ZINC001579038230 1075495514 /nfs/dbraw/zinc/49/55/14/1075495514.db2.gz IJCWSWYFVPUWRJ-LLVKDONJSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)Cn1ncnn1 ZINC001579038232 1075495545 /nfs/dbraw/zinc/49/55/45/1075495545.db2.gz IJCWSWYFVPUWRJ-NSHDSACASA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)Cn1cnnn1 ZINC001579038320 1075495662 /nfs/dbraw/zinc/49/56/62/1075495662.db2.gz JDEFLBPXGQJQEW-GFCCVEGCSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)Cn1cnnn1 ZINC001579038320 1075495658 /nfs/dbraw/zinc/49/56/58/1075495658.db2.gz JDEFLBPXGQJQEW-GFCCVEGCSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)Cn1cnnn1 ZINC001579038321 1075495652 /nfs/dbraw/zinc/49/56/52/1075495652.db2.gz JDEFLBPXGQJQEW-LBPRGKRZSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)Cn1cnnn1 ZINC001579038321 1075495649 /nfs/dbraw/zinc/49/56/49/1075495649.db2.gz JDEFLBPXGQJQEW-LBPRGKRZSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)C(=O)c1nnn(C)n1 ZINC001579038822 1075495990 /nfs/dbraw/zinc/49/59/90/1075495990.db2.gz OQVMJRBYHRDHRD-LLVKDONJSA-N 0 3 390.383 -1.248 20 0 GAADHN CN(C[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)C(=O)c1nnn(C)n1 ZINC001579038823 1075495951 /nfs/dbraw/zinc/49/59/51/1075495951.db2.gz OQVMJRBYHRDHRD-NSHDSACASA-N 0 3 390.383 -1.248 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCn1cnnn1 ZINC001579038994 1075496024 /nfs/dbraw/zinc/49/60/24/1075496024.db2.gz QFGOVZCHTKEWOF-AWEZNQCLSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCn1cnnn1 ZINC001579038994 1075496023 /nfs/dbraw/zinc/49/60/23/1075496023.db2.gz QFGOVZCHTKEWOF-AWEZNQCLSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCn1cnnn1 ZINC001579038995 1075495969 /nfs/dbraw/zinc/49/59/69/1075495969.db2.gz QFGOVZCHTKEWOF-CQSZACIVSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCn1cnnn1 ZINC001579038995 1075495967 /nfs/dbraw/zinc/49/59/67/1075495967.db2.gz QFGOVZCHTKEWOF-CQSZACIVSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039454 1075496030 /nfs/dbraw/zinc/49/60/30/1075496030.db2.gz WSFBEHJVAPUUND-AAEUAGOBSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039454 1075496028 /nfs/dbraw/zinc/49/60/28/1075496028.db2.gz WSFBEHJVAPUUND-AAEUAGOBSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039455 1075496038 /nfs/dbraw/zinc/49/60/38/1075496038.db2.gz WSFBEHJVAPUUND-DGCLKSJQSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039455 1075496036 /nfs/dbraw/zinc/49/60/36/1075496036.db2.gz WSFBEHJVAPUUND-DGCLKSJQSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039456 1075496018 /nfs/dbraw/zinc/49/60/18/1075496018.db2.gz WSFBEHJVAPUUND-WCQYABFASA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039456 1075496016 /nfs/dbraw/zinc/49/60/16/1075496016.db2.gz WSFBEHJVAPUUND-WCQYABFASA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039457 1075496000 /nfs/dbraw/zinc/49/60/00/1075496000.db2.gz WSFBEHJVAPUUND-YPMHNXCESA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039457 1075495997 /nfs/dbraw/zinc/49/59/97/1075495997.db2.gz WSFBEHJVAPUUND-YPMHNXCESA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)C(=O)Cn1ncnn1 ZINC001579039468 1075496005 /nfs/dbraw/zinc/49/60/05/1075496005.db2.gz WXTFBWCARAGNQJ-GFCCVEGCSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)C(=O)Cn1ncnn1 ZINC001579039469 1075495932 /nfs/dbraw/zinc/49/59/32/1075495932.db2.gz WXTFBWCARAGNQJ-LBPRGKRZSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1COC(=O)N1 ZINC001579039669 1075496043 /nfs/dbraw/zinc/49/60/43/1075496043.db2.gz XTRYRZIUYYXUJS-CHWSQXEVSA-N 0 3 375.389 -1.116 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1COC(=O)N1 ZINC001579039669 1075496042 /nfs/dbraw/zinc/49/60/42/1075496042.db2.gz XTRYRZIUYYXUJS-CHWSQXEVSA-N 0 3 375.389 -1.116 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1COC(=O)N1 ZINC001579039670 1075495978 /nfs/dbraw/zinc/49/59/78/1075495978.db2.gz XTRYRZIUYYXUJS-OLZOCXBDSA-N 0 3 375.389 -1.116 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1COC(=O)N1 ZINC001579039670 1075495975 /nfs/dbraw/zinc/49/59/75/1075495975.db2.gz XTRYRZIUYYXUJS-OLZOCXBDSA-N 0 3 375.389 -1.116 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1COC(=O)N1 ZINC001579039671 1075495985 /nfs/dbraw/zinc/49/59/85/1075495985.db2.gz XTRYRZIUYYXUJS-QWHCGFSZSA-N 0 3 375.389 -1.116 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1COC(=O)N1 ZINC001579039671 1075495982 /nfs/dbraw/zinc/49/59/82/1075495982.db2.gz XTRYRZIUYYXUJS-QWHCGFSZSA-N 0 3 375.389 -1.116 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1COC(=O)N1 ZINC001579039672 1075495946 /nfs/dbraw/zinc/49/59/46/1075495946.db2.gz XTRYRZIUYYXUJS-STQMWFEESA-N 0 3 375.389 -1.116 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1COC(=O)N1 ZINC001579039672 1075495945 /nfs/dbraw/zinc/49/59/45/1075495945.db2.gz XTRYRZIUYYXUJS-STQMWFEESA-N 0 3 375.389 -1.116 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039717 1075495940 /nfs/dbraw/zinc/49/59/40/1075495940.db2.gz YLYGGBDQOJRJGX-GWCFXTLKSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039718 1075495956 /nfs/dbraw/zinc/49/59/56/1075495956.db2.gz YLYGGBDQOJRJGX-GXFFZTMASA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039719 1075496253 /nfs/dbraw/zinc/49/62/53/1075496253.db2.gz YLYGGBDQOJRJGX-MFKMUULPSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039720 1075496374 /nfs/dbraw/zinc/49/63/74/1075496374.db2.gz YLYGGBDQOJRJGX-ZWNOBZJWSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)Cn1ncnn1 ZINC001579039848 1075496361 /nfs/dbraw/zinc/49/63/61/1075496361.db2.gz ZZIZSWGMNAEFMT-GFCCVEGCSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)Cn1ncnn1 ZINC001579039848 1075496357 /nfs/dbraw/zinc/49/63/57/1075496357.db2.gz ZZIZSWGMNAEFMT-GFCCVEGCSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)Cn1ncnn1 ZINC001579039850 1075496395 /nfs/dbraw/zinc/49/63/95/1075496395.db2.gz ZZIZSWGMNAEFMT-LBPRGKRZSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)Cn1ncnn1 ZINC001579039850 1075496393 /nfs/dbraw/zinc/49/63/93/1075496393.db2.gz ZZIZSWGMNAEFMT-LBPRGKRZSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCn1cnnn1 ZINC001579040069 1075496272 /nfs/dbraw/zinc/49/62/72/1075496272.db2.gz CJHWNEROZVVOOC-AWEZNQCLSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCn1cnnn1 ZINC001579040069 1075496267 /nfs/dbraw/zinc/49/62/67/1075496267.db2.gz CJHWNEROZVVOOC-AWEZNQCLSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCn1cnnn1 ZINC001579040071 1075496382 /nfs/dbraw/zinc/49/63/82/1075496382.db2.gz CJHWNEROZVVOOC-CQSZACIVSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCn1cnnn1 ZINC001579040071 1075496380 /nfs/dbraw/zinc/49/63/80/1075496380.db2.gz CJHWNEROZVVOOC-CQSZACIVSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)CCNC(N)=O ZINC001579040078 1075496286 /nfs/dbraw/zinc/49/62/86/1075496286.db2.gz CLGCSUBHECBPOO-GFCCVEGCSA-N 0 3 376.421 -1.166 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)CCNC(N)=O ZINC001579040078 1075496283 /nfs/dbraw/zinc/49/62/83/1075496283.db2.gz CLGCSUBHECBPOO-GFCCVEGCSA-N 0 3 376.421 -1.166 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)CCNC(N)=O ZINC001579040079 1075496371 /nfs/dbraw/zinc/49/63/71/1075496371.db2.gz CLGCSUBHECBPOO-LBPRGKRZSA-N 0 3 376.421 -1.166 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)CCNC(N)=O ZINC001579040079 1075496370 /nfs/dbraw/zinc/49/63/70/1075496370.db2.gz CLGCSUBHECBPOO-LBPRGKRZSA-N 0 3 376.421 -1.166 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)CCn1cnnn1 ZINC001579041643 1075496648 /nfs/dbraw/zinc/49/66/48/1075496648.db2.gz ULLSTNDNFAWVGF-CYBMUJFWSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)CCn1cnnn1 ZINC001579041643 1075496646 /nfs/dbraw/zinc/49/66/46/1075496646.db2.gz ULLSTNDNFAWVGF-CYBMUJFWSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)CCn1cnnn1 ZINC001579041645 1075496756 /nfs/dbraw/zinc/49/67/56/1075496756.db2.gz ULLSTNDNFAWVGF-ZDUSSCGKSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)CCn1cnnn1 ZINC001579041645 1075496754 /nfs/dbraw/zinc/49/67/54/1075496754.db2.gz ULLSTNDNFAWVGF-ZDUSSCGKSA-N 0 3 386.420 -1.148 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1nnn(C)n1 ZINC001579043632 1075497576 /nfs/dbraw/zinc/49/75/76/1075497576.db2.gz HVJFVZKHWZPLEW-JTQLQIEISA-N 0 3 390.383 -1.248 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1nnn(C)n1 ZINC001579043632 1075497573 /nfs/dbraw/zinc/49/75/73/1075497573.db2.gz HVJFVZKHWZPLEW-JTQLQIEISA-N 0 3 390.383 -1.248 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1nnn(C)n1 ZINC001579043633 1075497494 /nfs/dbraw/zinc/49/74/94/1075497494.db2.gz HVJFVZKHWZPLEW-SNVBAGLBSA-N 0 3 390.383 -1.248 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1nnn(C)n1 ZINC001579043633 1075497492 /nfs/dbraw/zinc/49/74/92/1075497492.db2.gz HVJFVZKHWZPLEW-SNVBAGLBSA-N 0 3 390.383 -1.248 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579045978 1075498003 /nfs/dbraw/zinc/49/80/03/1075498003.db2.gz VTGOZSCHKWXGGE-GWCFXTLKSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579045978 1075498001 /nfs/dbraw/zinc/49/80/01/1075498001.db2.gz VTGOZSCHKWXGGE-GWCFXTLKSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001579045979 1075497840 /nfs/dbraw/zinc/49/78/40/1075497840.db2.gz VTGOZSCHKWXGGE-GXFFZTMASA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001579045979 1075497837 /nfs/dbraw/zinc/49/78/37/1075497837.db2.gz VTGOZSCHKWXGGE-GXFFZTMASA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579045980 1075497911 /nfs/dbraw/zinc/49/79/11/1075497911.db2.gz VTGOZSCHKWXGGE-MFKMUULPSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579045980 1075497907 /nfs/dbraw/zinc/49/79/07/1075497907.db2.gz VTGOZSCHKWXGGE-MFKMUULPSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001579045981 1075497815 /nfs/dbraw/zinc/49/78/15/1075497815.db2.gz VTGOZSCHKWXGGE-ZWNOBZJWSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001579045981 1075497812 /nfs/dbraw/zinc/49/78/12/1075497812.db2.gz VTGOZSCHKWXGGE-ZWNOBZJWSA-N 0 3 392.395 -1.404 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Cn1ncnn1 ZINC001579045986 1075497936 /nfs/dbraw/zinc/49/79/36/1075497936.db2.gz VWOMCSGOWJBNHZ-LLVKDONJSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Cn1ncnn1 ZINC001579045986 1075497933 /nfs/dbraw/zinc/49/79/33/1075497933.db2.gz VWOMCSGOWJBNHZ-LLVKDONJSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Cn1ncnn1 ZINC001579045987 1075497854 /nfs/dbraw/zinc/49/78/54/1075497854.db2.gz VWOMCSGOWJBNHZ-NSHDSACASA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Cn1ncnn1 ZINC001579045987 1075497847 /nfs/dbraw/zinc/49/78/47/1075497847.db2.gz VWOMCSGOWJBNHZ-NSHDSACASA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Cn1cnnn1 ZINC001579046169 1075497995 /nfs/dbraw/zinc/49/79/95/1075497995.db2.gz XDMAIWFZWJVVAX-LLVKDONJSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Cn1cnnn1 ZINC001579046169 1075497993 /nfs/dbraw/zinc/49/79/93/1075497993.db2.gz XDMAIWFZWJVVAX-LLVKDONJSA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Cn1cnnn1 ZINC001579046170 1075497942 /nfs/dbraw/zinc/49/79/42/1075497942.db2.gz XDMAIWFZWJVVAX-NSHDSACASA-N 0 3 390.383 -1.399 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Cn1cnnn1 ZINC001579046170 1075497940 /nfs/dbraw/zinc/49/79/40/1075497940.db2.gz XDMAIWFZWJVVAX-NSHDSACASA-N 0 3 390.383 -1.399 20 0 GAADHN COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@H]2C1 ZINC001579067160 1075511371 /nfs/dbraw/zinc/51/13/71/1075511371.db2.gz AHBULUDSHBAUFJ-AGIUHOORSA-N 0 3 398.489 -1.279 20 0 GAADHN COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001579067161 1075511323 /nfs/dbraw/zinc/51/13/23/1075511323.db2.gz AHBULUDSHBAUFJ-FRRDWIJNSA-N 0 3 398.489 -1.279 20 0 GAADHN COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2[C@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001579067162 1075511438 /nfs/dbraw/zinc/51/14/38/1075511438.db2.gz AHBULUDSHBAUFJ-JHJVBQTASA-N 0 3 398.489 -1.279 20 0 GAADHN COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2[C@H](C1)S(=O)(=O)C[C@H]2N ZINC001579067163 1075511359 /nfs/dbraw/zinc/51/13/59/1075511359.db2.gz AHBULUDSHBAUFJ-UPJWGTAASA-N 0 3 398.489 -1.279 20 0 GAADHN C[N@@H+](CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CCN1C(=O)CNC1=O ZINC001579124273 1075515483 /nfs/dbraw/zinc/51/54/83/1075515483.db2.gz GNHLEEIWDZGJJF-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN C[N@H+](CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CCN1C(=O)CNC1=O ZINC001579124273 1075515479 /nfs/dbraw/zinc/51/54/79/1075515479.db2.gz GNHLEEIWDZGJJF-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CN(CCN1CCNC1=O)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579163409 1075518940 /nfs/dbraw/zinc/51/89/40/1075518940.db2.gz MAQUUOKQYKNUDK-GFCCVEGCSA-N 0 3 391.436 -1.415 20 0 GAADHN CN(CCN1CCNC1=O)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579163410 1075518773 /nfs/dbraw/zinc/51/87/73/1075518773.db2.gz MAQUUOKQYKNUDK-LBPRGKRZSA-N 0 3 391.436 -1.415 20 0 GAADHN C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)Cc1ccccc1-c1nnn[n-]1 ZINC001579184914 1075521880 /nfs/dbraw/zinc/52/18/80/1075521880.db2.gz PLCSGPAISOUJNI-UHFFFAOYSA-N 0 3 384.404 -1.195 20 0 GAADHN C[N@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)Cc1ccccc1-c1nnn[n-]1 ZINC001579184914 1075521874 /nfs/dbraw/zinc/52/18/74/1075521874.db2.gz PLCSGPAISOUJNI-UHFFFAOYSA-N 0 3 384.404 -1.195 20 0 GAADHN CN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[C@H](O)CN1CCCC1=O ZINC001579192188 1075522778 /nfs/dbraw/zinc/52/27/78/1075522778.db2.gz REISGKVQIIUVMQ-LBPRGKRZSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[C@H](O)CN1CCCC1=O ZINC001579197210 1075523461 /nfs/dbraw/zinc/52/34/61/1075523461.db2.gz DDABRZOQFMTBGW-NSHDSACASA-N 0 3 376.421 -1.160 20 0 GAADHN C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)Cc1ccccc1-c1nnn[n-]1 ZINC001579201537 1075523556 /nfs/dbraw/zinc/52/35/56/1075523556.db2.gz NRVUPUSOMRXEEC-UHFFFAOYSA-N 0 3 384.404 -1.195 20 0 GAADHN C[N@H+](CCNC(=O)c1cn(CC(N)=O)nn1)Cc1ccccc1-c1nnn[n-]1 ZINC001579201537 1075523553 /nfs/dbraw/zinc/52/35/53/1075523553.db2.gz NRVUPUSOMRXEEC-UHFFFAOYSA-N 0 3 384.404 -1.195 20 0 GAADHN CN(CCNC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)S(C)(=O)=O ZINC001579205413 1075523762 /nfs/dbraw/zinc/52/37/62/1075523762.db2.gz YBWITPXUDIFBDS-UHFFFAOYSA-N 0 3 382.450 -1.062 20 0 GAADHN CN(CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)CN1CCNC(=O)C1 ZINC001579206661 1075523830 /nfs/dbraw/zinc/52/38/30/1075523830.db2.gz JMYCNEPCYOXXPB-UHFFFAOYSA-N 0 3 390.423 -1.014 20 0 GAADHN CN(CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)S(C)(=O)=O ZINC001579207114 1075523904 /nfs/dbraw/zinc/52/39/04/1075523904.db2.gz BAGDPZQDCRORHQ-PHIMTYICSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)S(C)(=O)=O ZINC001579207114 1075523899 /nfs/dbraw/zinc/52/38/99/1075523899.db2.gz BAGDPZQDCRORHQ-PHIMTYICSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)S(C)(=O)=O ZINC001579207115 1075523873 /nfs/dbraw/zinc/52/38/73/1075523873.db2.gz BAGDPZQDCRORHQ-XYPYZODXSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)S(C)(=O)=O ZINC001579207115 1075523871 /nfs/dbraw/zinc/52/38/71/1075523871.db2.gz BAGDPZQDCRORHQ-XYPYZODXSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001579207724 1075524273 /nfs/dbraw/zinc/52/42/73/1075524273.db2.gz RSJGVTVYQRNAHB-PHIMTYICSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001579207725 1075524130 /nfs/dbraw/zinc/52/41/30/1075524130.db2.gz RSJGVTVYQRNAHB-XYPYZODXSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)S(C)(=O)=O ZINC001579207859 1075524183 /nfs/dbraw/zinc/52/41/83/1075524183.db2.gz WDHVRZWIGWTNLE-AOOOYVTPSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)S(C)(=O)=O ZINC001579207860 1075524142 /nfs/dbraw/zinc/52/41/42/1075524142.db2.gz WDHVRZWIGWTNLE-MGCOHNPYSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)Cn1ncnn1 ZINC001579260401 1075527508 /nfs/dbraw/zinc/52/75/08/1075527508.db2.gz CVFUSHXCQOUQDL-CYBMUJFWSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)Cn1ncnn1 ZINC001579260401 1075527503 /nfs/dbraw/zinc/52/75/03/1075527503.db2.gz CVFUSHXCQOUQDL-CYBMUJFWSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)Cn1ncnn1 ZINC001579260401 1075527499 /nfs/dbraw/zinc/52/74/99/1075527499.db2.gz CVFUSHXCQOUQDL-CYBMUJFWSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)Cn1ncnn1 ZINC001579260401 1075527493 /nfs/dbraw/zinc/52/74/93/1075527493.db2.gz CVFUSHXCQOUQDL-CYBMUJFWSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)Cn1ncnn1 ZINC001579260402 1075527882 /nfs/dbraw/zinc/52/78/82/1075527882.db2.gz CVFUSHXCQOUQDL-ZDUSSCGKSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)Cn1ncnn1 ZINC001579260402 1075527879 /nfs/dbraw/zinc/52/78/79/1075527879.db2.gz CVFUSHXCQOUQDL-ZDUSSCGKSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)Cn1ncnn1 ZINC001579260402 1075527877 /nfs/dbraw/zinc/52/78/77/1075527877.db2.gz CVFUSHXCQOUQDL-ZDUSSCGKSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)Cn1ncnn1 ZINC001579260402 1075527876 /nfs/dbraw/zinc/52/78/76/1075527876.db2.gz CVFUSHXCQOUQDL-ZDUSSCGKSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)c1nnn(C)n1 ZINC001579260503 1075527938 /nfs/dbraw/zinc/52/79/38/1075527938.db2.gz GHOQKVZJIQGNGA-GFCCVEGCSA-N 0 3 386.420 -1.045 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)c1nnn(C)n1 ZINC001579260503 1075527935 /nfs/dbraw/zinc/52/79/35/1075527935.db2.gz GHOQKVZJIQGNGA-GFCCVEGCSA-N 0 3 386.420 -1.045 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)c1nnn(C)n1 ZINC001579260503 1075527932 /nfs/dbraw/zinc/52/79/32/1075527932.db2.gz GHOQKVZJIQGNGA-GFCCVEGCSA-N 0 3 386.420 -1.045 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)c1nnn(C)n1 ZINC001579260503 1075527928 /nfs/dbraw/zinc/52/79/28/1075527928.db2.gz GHOQKVZJIQGNGA-GFCCVEGCSA-N 0 3 386.420 -1.045 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)c1nnn(C)n1 ZINC001579260504 1075527744 /nfs/dbraw/zinc/52/77/44/1075527744.db2.gz GHOQKVZJIQGNGA-LBPRGKRZSA-N 0 3 386.420 -1.045 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)c1nnn(C)n1 ZINC001579260504 1075527738 /nfs/dbraw/zinc/52/77/38/1075527738.db2.gz GHOQKVZJIQGNGA-LBPRGKRZSA-N 0 3 386.420 -1.045 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)c1nnn(C)n1 ZINC001579260504 1075527735 /nfs/dbraw/zinc/52/77/35/1075527735.db2.gz GHOQKVZJIQGNGA-LBPRGKRZSA-N 0 3 386.420 -1.045 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)c1nnn(C)n1 ZINC001579260504 1075527731 /nfs/dbraw/zinc/52/77/31/1075527731.db2.gz GHOQKVZJIQGNGA-LBPRGKRZSA-N 0 3 386.420 -1.045 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579260570 1075527836 /nfs/dbraw/zinc/52/78/36/1075527836.db2.gz HJNHPDKBOWEEOA-GXTWGEPZSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579260570 1075527833 /nfs/dbraw/zinc/52/78/33/1075527833.db2.gz HJNHPDKBOWEEOA-GXTWGEPZSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1CNC(=O)N1 ZINC001579260570 1075527829 /nfs/dbraw/zinc/52/78/29/1075527829.db2.gz HJNHPDKBOWEEOA-GXTWGEPZSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1CNC(=O)N1 ZINC001579260570 1075527823 /nfs/dbraw/zinc/52/78/23/1075527823.db2.gz HJNHPDKBOWEEOA-GXTWGEPZSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579260571 1075527800 /nfs/dbraw/zinc/52/78/00/1075527800.db2.gz HJNHPDKBOWEEOA-JSGCOSHPSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579260571 1075527797 /nfs/dbraw/zinc/52/77/97/1075527797.db2.gz HJNHPDKBOWEEOA-JSGCOSHPSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579260571 1075527792 /nfs/dbraw/zinc/52/77/92/1075527792.db2.gz HJNHPDKBOWEEOA-JSGCOSHPSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579260571 1075527786 /nfs/dbraw/zinc/52/77/86/1075527786.db2.gz HJNHPDKBOWEEOA-JSGCOSHPSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579260572 1075527898 /nfs/dbraw/zinc/52/78/98/1075527898.db2.gz HJNHPDKBOWEEOA-OCCSQVGLSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579260572 1075527895 /nfs/dbraw/zinc/52/78/95/1075527895.db2.gz HJNHPDKBOWEEOA-OCCSQVGLSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579260572 1075527892 /nfs/dbraw/zinc/52/78/92/1075527892.db2.gz HJNHPDKBOWEEOA-OCCSQVGLSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579260572 1075527889 /nfs/dbraw/zinc/52/78/89/1075527889.db2.gz HJNHPDKBOWEEOA-OCCSQVGLSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579260573 1075527916 /nfs/dbraw/zinc/52/79/16/1075527916.db2.gz HJNHPDKBOWEEOA-TZMCWYRMSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579260573 1075527913 /nfs/dbraw/zinc/52/79/13/1075527913.db2.gz HJNHPDKBOWEEOA-TZMCWYRMSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1CNC(=O)N1 ZINC001579260573 1075527911 /nfs/dbraw/zinc/52/79/11/1075527911.db2.gz HJNHPDKBOWEEOA-TZMCWYRMSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1CNC(=O)N1 ZINC001579260573 1075527908 /nfs/dbraw/zinc/52/79/08/1075527908.db2.gz HJNHPDKBOWEEOA-TZMCWYRMSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)Cn1cnnn1 ZINC001579260673 1075527958 /nfs/dbraw/zinc/52/79/58/1075527958.db2.gz IPNBUIKWDYFAOH-CYBMUJFWSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)Cn1cnnn1 ZINC001579260673 1075527954 /nfs/dbraw/zinc/52/79/54/1075527954.db2.gz IPNBUIKWDYFAOH-CYBMUJFWSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)Cn1cnnn1 ZINC001579260673 1075527951 /nfs/dbraw/zinc/52/79/51/1075527951.db2.gz IPNBUIKWDYFAOH-CYBMUJFWSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)Cn1cnnn1 ZINC001579260673 1075527947 /nfs/dbraw/zinc/52/79/47/1075527947.db2.gz IPNBUIKWDYFAOH-CYBMUJFWSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)Cn1cnnn1 ZINC001579260675 1075527678 /nfs/dbraw/zinc/52/76/78/1075527678.db2.gz IPNBUIKWDYFAOH-ZDUSSCGKSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(=O)Cn1cnnn1 ZINC001579260675 1075527674 /nfs/dbraw/zinc/52/76/74/1075527674.db2.gz IPNBUIKWDYFAOH-ZDUSSCGKSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)Cn1cnnn1 ZINC001579260675 1075527670 /nfs/dbraw/zinc/52/76/70/1075527670.db2.gz IPNBUIKWDYFAOH-ZDUSSCGKSA-N 0 3 386.420 -1.196 20 0 GAADHN CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)Cn1cnnn1 ZINC001579260675 1075527666 /nfs/dbraw/zinc/52/76/66/1075527666.db2.gz IPNBUIKWDYFAOH-ZDUSSCGKSA-N 0 3 386.420 -1.196 20 0 GAADHN CN1C[C@@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)NC1=O ZINC001579311342 1075536865 /nfs/dbraw/zinc/53/68/65/1075536865.db2.gz HZJYFADEBARBNN-AWEZNQCLSA-N 0 3 388.432 -1.199 20 0 GAADHN CN1C[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)NC1=O ZINC001579311343 1075536741 /nfs/dbraw/zinc/53/67/41/1075536741.db2.gz HZJYFADEBARBNN-CQSZACIVSA-N 0 3 388.432 -1.199 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001579311628 1075537609 /nfs/dbraw/zinc/53/76/09/1075537609.db2.gz MAWCRRWUGSBBIP-KBPBESRZSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001579311628 1075537605 /nfs/dbraw/zinc/53/76/05/1075537605.db2.gz MAWCRRWUGSBBIP-KBPBESRZSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001579311630 1075538012 /nfs/dbraw/zinc/53/80/12/1075538012.db2.gz MAWCRRWUGSBBIP-KGLIPLIRSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001579311630 1075538008 /nfs/dbraw/zinc/53/80/08/1075538008.db2.gz MAWCRRWUGSBBIP-KGLIPLIRSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001579311631 1075537866 /nfs/dbraw/zinc/53/78/66/1075537866.db2.gz MAWCRRWUGSBBIP-UONOGXRCSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001579311631 1075537861 /nfs/dbraw/zinc/53/78/61/1075537861.db2.gz MAWCRRWUGSBBIP-UONOGXRCSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001579311633 1075538060 /nfs/dbraw/zinc/53/80/60/1075538060.db2.gz MAWCRRWUGSBBIP-ZIAGYGMSSA-N 0 3 388.432 -1.201 20 0 GAADHN CN(C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001579311633 1075538057 /nfs/dbraw/zinc/53/80/57/1075538057.db2.gz MAWCRRWUGSBBIP-ZIAGYGMSSA-N 0 3 388.432 -1.201 20 0 GAADHN CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)NC1=O ZINC001579314373 1075543228 /nfs/dbraw/zinc/54/32/28/1075543228.db2.gz DEXSLTVQGGADQM-GWCFXTLKSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)NC1=O ZINC001579314374 1075543281 /nfs/dbraw/zinc/54/32/81/1075543281.db2.gz DEXSLTVQGGADQM-GXFFZTMASA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)NC1=O ZINC001579314375 1075543252 /nfs/dbraw/zinc/54/32/52/1075543252.db2.gz DEXSLTVQGGADQM-MFKMUULPSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)NC1=O ZINC001579314376 1075543270 /nfs/dbraw/zinc/54/32/70/1075543270.db2.gz DEXSLTVQGGADQM-ZWNOBZJWSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)NC1=O ZINC001579318664 1075549534 /nfs/dbraw/zinc/54/95/34/1075549534.db2.gz OMIGDSIKKCYAPK-AAEUAGOBSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)NC1=O ZINC001579318664 1075549529 /nfs/dbraw/zinc/54/95/29/1075549529.db2.gz OMIGDSIKKCYAPK-AAEUAGOBSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)NC1=O ZINC001579318665 1075549507 /nfs/dbraw/zinc/54/95/07/1075549507.db2.gz OMIGDSIKKCYAPK-DGCLKSJQSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)NC1=O ZINC001579318665 1075549505 /nfs/dbraw/zinc/54/95/05/1075549505.db2.gz OMIGDSIKKCYAPK-DGCLKSJQSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)NC1=O ZINC001579318666 1075549606 /nfs/dbraw/zinc/54/96/06/1075549606.db2.gz OMIGDSIKKCYAPK-WCQYABFASA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)NC1=O ZINC001579318666 1075549602 /nfs/dbraw/zinc/54/96/02/1075549602.db2.gz OMIGDSIKKCYAPK-WCQYABFASA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)NC1=O ZINC001579318667 1075549579 /nfs/dbraw/zinc/54/95/79/1075549579.db2.gz OMIGDSIKKCYAPK-YPMHNXCESA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)NC1=O ZINC001579318667 1075549576 /nfs/dbraw/zinc/54/95/76/1075549576.db2.gz OMIGDSIKKCYAPK-YPMHNXCESA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)NC1=O ZINC001579319441 1075551039 /nfs/dbraw/zinc/55/10/39/1075551039.db2.gz XEGTXRPQLLOGST-GWCFXTLKSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)NC1=O ZINC001579319443 1075551054 /nfs/dbraw/zinc/55/10/54/1075551054.db2.gz XEGTXRPQLLOGST-GXFFZTMASA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)NC1=O ZINC001579319445 1075551107 /nfs/dbraw/zinc/55/11/07/1075551107.db2.gz XEGTXRPQLLOGST-MFKMUULPSA-N 0 3 392.395 -1.404 20 0 GAADHN CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)NC1=O ZINC001579319446 1075551144 /nfs/dbraw/zinc/55/11/44/1075551144.db2.gz XEGTXRPQLLOGST-ZWNOBZJWSA-N 0 3 392.395 -1.404 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579324778 1075554087 /nfs/dbraw/zinc/55/40/87/1075554087.db2.gz BAVOOODZVPGBNU-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579324778 1075554085 /nfs/dbraw/zinc/55/40/85/1075554085.db2.gz BAVOOODZVPGBNU-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579324778 1075554083 /nfs/dbraw/zinc/55/40/83/1075554083.db2.gz BAVOOODZVPGBNU-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579324778 1075554081 /nfs/dbraw/zinc/55/40/81/1075554081.db2.gz BAVOOODZVPGBNU-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579324779 1075553946 /nfs/dbraw/zinc/55/39/46/1075553946.db2.gz BAVOOODZVPGBNU-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579324779 1075553943 /nfs/dbraw/zinc/55/39/43/1075553943.db2.gz BAVOOODZVPGBNU-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579324779 1075553940 /nfs/dbraw/zinc/55/39/40/1075553940.db2.gz BAVOOODZVPGBNU-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579324779 1075553936 /nfs/dbraw/zinc/55/39/36/1075553936.db2.gz BAVOOODZVPGBNU-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579325036 1075553976 /nfs/dbraw/zinc/55/39/76/1075553976.db2.gz FGIUWNKXWABCKK-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579325036 1075553973 /nfs/dbraw/zinc/55/39/73/1075553973.db2.gz FGIUWNKXWABCKK-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579325036 1075553972 /nfs/dbraw/zinc/55/39/72/1075553972.db2.gz FGIUWNKXWABCKK-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579325036 1075553969 /nfs/dbraw/zinc/55/39/69/1075553969.db2.gz FGIUWNKXWABCKK-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579325037 1075553989 /nfs/dbraw/zinc/55/39/89/1075553989.db2.gz FGIUWNKXWABCKK-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579325037 1075553987 /nfs/dbraw/zinc/55/39/87/1075553987.db2.gz FGIUWNKXWABCKK-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579325037 1075553985 /nfs/dbraw/zinc/55/39/85/1075553985.db2.gz FGIUWNKXWABCKK-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579325037 1075553982 /nfs/dbraw/zinc/55/39/82/1075553982.db2.gz FGIUWNKXWABCKK-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001579325347 1075554073 /nfs/dbraw/zinc/55/40/73/1075554073.db2.gz HLRQLMQXLFBQFW-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325369 1075554035 /nfs/dbraw/zinc/55/40/35/1075554035.db2.gz HTKZARXEFJVESC-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325369 1075554032 /nfs/dbraw/zinc/55/40/32/1075554032.db2.gz HTKZARXEFJVESC-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325369 1075554030 /nfs/dbraw/zinc/55/40/30/1075554030.db2.gz HTKZARXEFJVESC-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325369 1075554028 /nfs/dbraw/zinc/55/40/28/1075554028.db2.gz HTKZARXEFJVESC-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325372 1075554021 /nfs/dbraw/zinc/55/40/21/1075554021.db2.gz HTKZARXEFJVESC-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325372 1075554019 /nfs/dbraw/zinc/55/40/19/1075554019.db2.gz HTKZARXEFJVESC-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325372 1075554016 /nfs/dbraw/zinc/55/40/16/1075554016.db2.gz HTKZARXEFJVESC-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325372 1075554014 /nfs/dbraw/zinc/55/40/14/1075554014.db2.gz HTKZARXEFJVESC-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579325581 1075554553 /nfs/dbraw/zinc/55/45/53/1075554553.db2.gz JGTZDGRCZZTLLC-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579325581 1075554549 /nfs/dbraw/zinc/55/45/49/1075554549.db2.gz JGTZDGRCZZTLLC-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579325581 1075554545 /nfs/dbraw/zinc/55/45/45/1075554545.db2.gz JGTZDGRCZZTLLC-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579325581 1075554539 /nfs/dbraw/zinc/55/45/39/1075554539.db2.gz JGTZDGRCZZTLLC-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579325582 1075554494 /nfs/dbraw/zinc/55/44/94/1075554494.db2.gz JGTZDGRCZZTLLC-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579325582 1075554490 /nfs/dbraw/zinc/55/44/90/1075554490.db2.gz JGTZDGRCZZTLLC-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579325582 1075554486 /nfs/dbraw/zinc/55/44/86/1075554486.db2.gz JGTZDGRCZZTLLC-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579325582 1075554482 /nfs/dbraw/zinc/55/44/82/1075554482.db2.gz JGTZDGRCZZTLLC-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579325583 1075554621 /nfs/dbraw/zinc/55/46/21/1075554621.db2.gz JGTZDGRCZZTLLC-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579325583 1075554617 /nfs/dbraw/zinc/55/46/17/1075554617.db2.gz JGTZDGRCZZTLLC-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579325583 1075554612 /nfs/dbraw/zinc/55/46/12/1075554612.db2.gz JGTZDGRCZZTLLC-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579325583 1075554610 /nfs/dbraw/zinc/55/46/10/1075554610.db2.gz JGTZDGRCZZTLLC-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579325584 1075554470 /nfs/dbraw/zinc/55/44/70/1075554470.db2.gz JGTZDGRCZZTLLC-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579325584 1075554465 /nfs/dbraw/zinc/55/44/65/1075554465.db2.gz JGTZDGRCZZTLLC-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579325584 1075554462 /nfs/dbraw/zinc/55/44/62/1075554462.db2.gz JGTZDGRCZZTLLC-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579325584 1075554458 /nfs/dbraw/zinc/55/44/58/1075554458.db2.gz JGTZDGRCZZTLLC-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001579326217 1075554895 /nfs/dbraw/zinc/55/48/95/1075554895.db2.gz NHAFBOZNFNILQP-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326529 1075555275 /nfs/dbraw/zinc/55/52/75/1075555275.db2.gz PEAKVXOFRODICM-GHMZBOCLSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326529 1075555272 /nfs/dbraw/zinc/55/52/72/1075555272.db2.gz PEAKVXOFRODICM-GHMZBOCLSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326529 1075555268 /nfs/dbraw/zinc/55/52/68/1075555268.db2.gz PEAKVXOFRODICM-GHMZBOCLSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326529 1075555265 /nfs/dbraw/zinc/55/52/65/1075555265.db2.gz PEAKVXOFRODICM-GHMZBOCLSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326531 1075555255 /nfs/dbraw/zinc/55/52/55/1075555255.db2.gz PEAKVXOFRODICM-MNOVXSKESA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326531 1075555252 /nfs/dbraw/zinc/55/52/52/1075555252.db2.gz PEAKVXOFRODICM-MNOVXSKESA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326531 1075555247 /nfs/dbraw/zinc/55/52/47/1075555247.db2.gz PEAKVXOFRODICM-MNOVXSKESA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326531 1075555242 /nfs/dbraw/zinc/55/52/42/1075555242.db2.gz PEAKVXOFRODICM-MNOVXSKESA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326533 1075555091 /nfs/dbraw/zinc/55/50/91/1075555091.db2.gz PEAKVXOFRODICM-QWRGUYRKSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326533 1075555087 /nfs/dbraw/zinc/55/50/87/1075555087.db2.gz PEAKVXOFRODICM-QWRGUYRKSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326533 1075555082 /nfs/dbraw/zinc/55/50/82/1075555082.db2.gz PEAKVXOFRODICM-QWRGUYRKSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326533 1075555077 /nfs/dbraw/zinc/55/50/77/1075555077.db2.gz PEAKVXOFRODICM-QWRGUYRKSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326535 1075554977 /nfs/dbraw/zinc/55/49/77/1075554977.db2.gz PEAKVXOFRODICM-WDEREUQCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326535 1075554974 /nfs/dbraw/zinc/55/49/74/1075554974.db2.gz PEAKVXOFRODICM-WDEREUQCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326535 1075554970 /nfs/dbraw/zinc/55/49/70/1075554970.db2.gz PEAKVXOFRODICM-WDEREUQCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326535 1075554967 /nfs/dbraw/zinc/55/49/67/1075554967.db2.gz PEAKVXOFRODICM-WDEREUQCSA-N 0 3 376.421 -1.304 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579326701 1075555581 /nfs/dbraw/zinc/55/55/81/1075555581.db2.gz RESMQFMAKJNNSW-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579326701 1075555580 /nfs/dbraw/zinc/55/55/80/1075555580.db2.gz RESMQFMAKJNNSW-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579326701 1075555575 /nfs/dbraw/zinc/55/55/75/1075555575.db2.gz RESMQFMAKJNNSW-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579326701 1075555572 /nfs/dbraw/zinc/55/55/72/1075555572.db2.gz RESMQFMAKJNNSW-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579326702 1075555731 /nfs/dbraw/zinc/55/57/31/1075555731.db2.gz RESMQFMAKJNNSW-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579326702 1075555729 /nfs/dbraw/zinc/55/57/29/1075555729.db2.gz RESMQFMAKJNNSW-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579326702 1075555727 /nfs/dbraw/zinc/55/57/27/1075555727.db2.gz RESMQFMAKJNNSW-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579326702 1075555725 /nfs/dbraw/zinc/55/57/25/1075555725.db2.gz RESMQFMAKJNNSW-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579326869 1075555719 /nfs/dbraw/zinc/55/57/19/1075555719.db2.gz SEIITKZRIFHTIW-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579326869 1075555717 /nfs/dbraw/zinc/55/57/17/1075555717.db2.gz SEIITKZRIFHTIW-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579326869 1075555714 /nfs/dbraw/zinc/55/57/14/1075555714.db2.gz SEIITKZRIFHTIW-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579326869 1075555711 /nfs/dbraw/zinc/55/57/11/1075555711.db2.gz SEIITKZRIFHTIW-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579326870 1075555836 /nfs/dbraw/zinc/55/58/36/1075555836.db2.gz SEIITKZRIFHTIW-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579326870 1075555834 /nfs/dbraw/zinc/55/58/34/1075555834.db2.gz SEIITKZRIFHTIW-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579326870 1075555830 /nfs/dbraw/zinc/55/58/30/1075555830.db2.gz SEIITKZRIFHTIW-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579326870 1075555826 /nfs/dbraw/zinc/55/58/26/1075555826.db2.gz SEIITKZRIFHTIW-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001579327249 1075556268 /nfs/dbraw/zinc/55/62/68/1075556268.db2.gz XZXREOOTZRWGSU-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001579327249 1075556260 /nfs/dbraw/zinc/55/62/60/1075556260.db2.gz XZXREOOTZRWGSU-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579327315 1075555755 /nfs/dbraw/zinc/55/57/55/1075555755.db2.gz QTRVEIWPBWBSGP-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579327315 1075555752 /nfs/dbraw/zinc/55/57/52/1075555752.db2.gz QTRVEIWPBWBSGP-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579327315 1075555750 /nfs/dbraw/zinc/55/57/50/1075555750.db2.gz QTRVEIWPBWBSGP-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579327315 1075555747 /nfs/dbraw/zinc/55/57/47/1075555747.db2.gz QTRVEIWPBWBSGP-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579327318 1075555690 /nfs/dbraw/zinc/55/56/90/1075555690.db2.gz QTRVEIWPBWBSGP-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579327318 1075555688 /nfs/dbraw/zinc/55/56/88/1075555688.db2.gz QTRVEIWPBWBSGP-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579327318 1075555684 /nfs/dbraw/zinc/55/56/84/1075555684.db2.gz QTRVEIWPBWBSGP-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579327318 1075555682 /nfs/dbraw/zinc/55/56/82/1075555682.db2.gz QTRVEIWPBWBSGP-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579327320 1075555602 /nfs/dbraw/zinc/55/56/02/1075555602.db2.gz QTRVEIWPBWBSGP-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579327320 1075555599 /nfs/dbraw/zinc/55/55/99/1075555599.db2.gz QTRVEIWPBWBSGP-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579327320 1075555595 /nfs/dbraw/zinc/55/55/95/1075555595.db2.gz QTRVEIWPBWBSGP-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579327320 1075555594 /nfs/dbraw/zinc/55/55/94/1075555594.db2.gz QTRVEIWPBWBSGP-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579327322 1075556379 /nfs/dbraw/zinc/55/63/79/1075556379.db2.gz QTRVEIWPBWBSGP-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579327322 1075556377 /nfs/dbraw/zinc/55/63/77/1075556377.db2.gz QTRVEIWPBWBSGP-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579327322 1075556373 /nfs/dbraw/zinc/55/63/73/1075556373.db2.gz QTRVEIWPBWBSGP-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579327322 1075556369 /nfs/dbraw/zinc/55/63/69/1075556369.db2.gz QTRVEIWPBWBSGP-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579327491 1075556221 /nfs/dbraw/zinc/55/62/21/1075556221.db2.gz UUPBHSPFEVEQNZ-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579327491 1075556216 /nfs/dbraw/zinc/55/62/16/1075556216.db2.gz UUPBHSPFEVEQNZ-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579327491 1075556210 /nfs/dbraw/zinc/55/62/10/1075556210.db2.gz UUPBHSPFEVEQNZ-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579327491 1075556206 /nfs/dbraw/zinc/55/62/06/1075556206.db2.gz UUPBHSPFEVEQNZ-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579327493 1075556081 /nfs/dbraw/zinc/55/60/81/1075556081.db2.gz UUPBHSPFEVEQNZ-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579327493 1075556075 /nfs/dbraw/zinc/55/60/75/1075556075.db2.gz UUPBHSPFEVEQNZ-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579327493 1075556072 /nfs/dbraw/zinc/55/60/72/1075556072.db2.gz UUPBHSPFEVEQNZ-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579327493 1075556068 /nfs/dbraw/zinc/55/60/68/1075556068.db2.gz UUPBHSPFEVEQNZ-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579327495 1075556157 /nfs/dbraw/zinc/55/61/57/1075556157.db2.gz UUPBHSPFEVEQNZ-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579327495 1075556153 /nfs/dbraw/zinc/55/61/53/1075556153.db2.gz UUPBHSPFEVEQNZ-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579327495 1075556151 /nfs/dbraw/zinc/55/61/51/1075556151.db2.gz UUPBHSPFEVEQNZ-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579327495 1075556149 /nfs/dbraw/zinc/55/61/49/1075556149.db2.gz UUPBHSPFEVEQNZ-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579327498 1075556362 /nfs/dbraw/zinc/55/63/62/1075556362.db2.gz UUPBHSPFEVEQNZ-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579327498 1075556360 /nfs/dbraw/zinc/55/63/60/1075556360.db2.gz UUPBHSPFEVEQNZ-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579327498 1075556356 /nfs/dbraw/zinc/55/63/56/1075556356.db2.gz UUPBHSPFEVEQNZ-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579327498 1075556352 /nfs/dbraw/zinc/55/63/52/1075556352.db2.gz UUPBHSPFEVEQNZ-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579327772 1075556053 /nfs/dbraw/zinc/55/60/53/1075556053.db2.gz XJUYYBRPANQHRZ-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579327772 1075556049 /nfs/dbraw/zinc/55/60/49/1075556049.db2.gz XJUYYBRPANQHRZ-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579327772 1075556048 /nfs/dbraw/zinc/55/60/48/1075556048.db2.gz XJUYYBRPANQHRZ-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579327772 1075556045 /nfs/dbraw/zinc/55/60/45/1075556045.db2.gz XJUYYBRPANQHRZ-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579327773 1075556180 /nfs/dbraw/zinc/55/61/80/1075556180.db2.gz XJUYYBRPANQHRZ-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579327773 1075556177 /nfs/dbraw/zinc/55/61/77/1075556177.db2.gz XJUYYBRPANQHRZ-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579327773 1075556175 /nfs/dbraw/zinc/55/61/75/1075556175.db2.gz XJUYYBRPANQHRZ-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579327773 1075556169 /nfs/dbraw/zinc/55/61/69/1075556169.db2.gz XJUYYBRPANQHRZ-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579327780 1075556116 /nfs/dbraw/zinc/55/61/16/1075556116.db2.gz XJUYYBRPANQHRZ-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579327780 1075556108 /nfs/dbraw/zinc/55/61/08/1075556108.db2.gz XJUYYBRPANQHRZ-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579327780 1075556105 /nfs/dbraw/zinc/55/61/05/1075556105.db2.gz XJUYYBRPANQHRZ-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579327780 1075556100 /nfs/dbraw/zinc/55/61/00/1075556100.db2.gz XJUYYBRPANQHRZ-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579327781 1075556021 /nfs/dbraw/zinc/55/60/21/1075556021.db2.gz XJUYYBRPANQHRZ-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579327781 1075556018 /nfs/dbraw/zinc/55/60/18/1075556018.db2.gz XJUYYBRPANQHRZ-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579327781 1075556015 /nfs/dbraw/zinc/55/60/15/1075556015.db2.gz XJUYYBRPANQHRZ-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579327781 1075556009 /nfs/dbraw/zinc/55/60/09/1075556009.db2.gz XJUYYBRPANQHRZ-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CC1 ZINC001579329099 1075556330 /nfs/dbraw/zinc/55/63/30/1075556330.db2.gz MHXJKPIUSOUMDW-KGLIPLIRSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001579329583 1075556287 /nfs/dbraw/zinc/55/62/87/1075556287.db2.gz QTPTWPLOTOENRJ-ZIAGYGMSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001579329583 1075556281 /nfs/dbraw/zinc/55/62/81/1075556281.db2.gz QTPTWPLOTOENRJ-ZIAGYGMSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC1 ZINC001579329683 1075556604 /nfs/dbraw/zinc/55/66/04/1075556604.db2.gz SRQKAQITKZERIX-KGLIPLIRSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001579329685 1075556555 /nfs/dbraw/zinc/55/65/55/1075556555.db2.gz SRQKAQITKZERIX-ZIAGYGMSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579331268 1075556797 /nfs/dbraw/zinc/55/67/97/1075556797.db2.gz BSESTNQMUCJULM-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579331268 1075556793 /nfs/dbraw/zinc/55/67/93/1075556793.db2.gz BSESTNQMUCJULM-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579331270 1075556810 /nfs/dbraw/zinc/55/68/10/1075556810.db2.gz BSESTNQMUCJULM-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579331270 1075556806 /nfs/dbraw/zinc/55/68/06/1075556806.db2.gz BSESTNQMUCJULM-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579331292 1075556541 /nfs/dbraw/zinc/55/65/41/1075556541.db2.gz BZCJMSANXSNQAB-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579331292 1075556539 /nfs/dbraw/zinc/55/65/39/1075556539.db2.gz BZCJMSANXSNQAB-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579331292 1075556538 /nfs/dbraw/zinc/55/65/38/1075556538.db2.gz BZCJMSANXSNQAB-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579331292 1075556535 /nfs/dbraw/zinc/55/65/35/1075556535.db2.gz BZCJMSANXSNQAB-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579331294 1075556764 /nfs/dbraw/zinc/55/67/64/1075556764.db2.gz BZCJMSANXSNQAB-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579331294 1075556759 /nfs/dbraw/zinc/55/67/59/1075556759.db2.gz BZCJMSANXSNQAB-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579331294 1075556754 /nfs/dbraw/zinc/55/67/54/1075556754.db2.gz BZCJMSANXSNQAB-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579331294 1075556747 /nfs/dbraw/zinc/55/67/47/1075556747.db2.gz BZCJMSANXSNQAB-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579331296 1075556686 /nfs/dbraw/zinc/55/66/86/1075556686.db2.gz BZCJMSANXSNQAB-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579331296 1075556681 /nfs/dbraw/zinc/55/66/81/1075556681.db2.gz BZCJMSANXSNQAB-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579331296 1075556677 /nfs/dbraw/zinc/55/66/77/1075556677.db2.gz BZCJMSANXSNQAB-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579331296 1075556673 /nfs/dbraw/zinc/55/66/73/1075556673.db2.gz BZCJMSANXSNQAB-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579331298 1075556639 /nfs/dbraw/zinc/55/66/39/1075556639.db2.gz BZCJMSANXSNQAB-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579331298 1075556631 /nfs/dbraw/zinc/55/66/31/1075556631.db2.gz BZCJMSANXSNQAB-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579331298 1075556626 /nfs/dbraw/zinc/55/66/26/1075556626.db2.gz BZCJMSANXSNQAB-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579331298 1075556619 /nfs/dbraw/zinc/55/66/19/1075556619.db2.gz BZCJMSANXSNQAB-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579331657 1075557043 /nfs/dbraw/zinc/55/70/43/1075557043.db2.gz FXLBGYNKXGMUCH-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579331657 1075557040 /nfs/dbraw/zinc/55/70/40/1075557040.db2.gz FXLBGYNKXGMUCH-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579331657 1075557036 /nfs/dbraw/zinc/55/70/36/1075557036.db2.gz FXLBGYNKXGMUCH-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579331657 1075557033 /nfs/dbraw/zinc/55/70/33/1075557033.db2.gz FXLBGYNKXGMUCH-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579331658 1075557159 /nfs/dbraw/zinc/55/71/59/1075557159.db2.gz FXLBGYNKXGMUCH-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579331658 1075557158 /nfs/dbraw/zinc/55/71/58/1075557158.db2.gz FXLBGYNKXGMUCH-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579331658 1075557156 /nfs/dbraw/zinc/55/71/56/1075557156.db2.gz FXLBGYNKXGMUCH-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579331658 1075557155 /nfs/dbraw/zinc/55/71/55/1075557155.db2.gz FXLBGYNKXGMUCH-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579331659 1075557002 /nfs/dbraw/zinc/55/70/02/1075557002.db2.gz FXLBGYNKXGMUCH-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579331659 1075556997 /nfs/dbraw/zinc/55/69/97/1075556997.db2.gz FXLBGYNKXGMUCH-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579331659 1075556993 /nfs/dbraw/zinc/55/69/93/1075556993.db2.gz FXLBGYNKXGMUCH-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579331659 1075556984 /nfs/dbraw/zinc/55/69/84/1075556984.db2.gz FXLBGYNKXGMUCH-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579331660 1075557125 /nfs/dbraw/zinc/55/71/25/1075557125.db2.gz FXLBGYNKXGMUCH-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579331660 1075557122 /nfs/dbraw/zinc/55/71/22/1075557122.db2.gz FXLBGYNKXGMUCH-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579331660 1075557117 /nfs/dbraw/zinc/55/71/17/1075557117.db2.gz FXLBGYNKXGMUCH-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579331660 1075557116 /nfs/dbraw/zinc/55/71/16/1075557116.db2.gz FXLBGYNKXGMUCH-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001579331950 1075557409 /nfs/dbraw/zinc/55/74/09/1075557409.db2.gz JHNFWLRJRKSQNT-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001579331950 1075557404 /nfs/dbraw/zinc/55/74/04/1075557404.db2.gz JHNFWLRJRKSQNT-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579332505 1075557388 /nfs/dbraw/zinc/55/73/88/1075557388.db2.gz LQUGPTHEOPMNJO-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579332507 1075557533 /nfs/dbraw/zinc/55/75/33/1075557533.db2.gz LQUGPTHEOPMNJO-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579332657 1075558030 /nfs/dbraw/zinc/55/80/30/1075558030.db2.gz MSCKCJQWTAGGAJ-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579332660 1075557782 /nfs/dbraw/zinc/55/77/82/1075557782.db2.gz MSCKCJQWTAGGAJ-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579332848 1075557811 /nfs/dbraw/zinc/55/78/11/1075557811.db2.gz NDJOEMCOBGZNLP-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579332848 1075557804 /nfs/dbraw/zinc/55/78/04/1075557804.db2.gz NDJOEMCOBGZNLP-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579332848 1075557802 /nfs/dbraw/zinc/55/78/02/1075557802.db2.gz NDJOEMCOBGZNLP-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579332848 1075557796 /nfs/dbraw/zinc/55/77/96/1075557796.db2.gz NDJOEMCOBGZNLP-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579332851 1075557993 /nfs/dbraw/zinc/55/79/93/1075557993.db2.gz NDJOEMCOBGZNLP-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579332851 1075557989 /nfs/dbraw/zinc/55/79/89/1075557989.db2.gz NDJOEMCOBGZNLP-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579332851 1075557984 /nfs/dbraw/zinc/55/79/84/1075557984.db2.gz NDJOEMCOBGZNLP-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579332851 1075557981 /nfs/dbraw/zinc/55/79/81/1075557981.db2.gz NDJOEMCOBGZNLP-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579332852 1075558023 /nfs/dbraw/zinc/55/80/23/1075558023.db2.gz NDJOEMCOBGZNLP-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579332852 1075558020 /nfs/dbraw/zinc/55/80/20/1075558020.db2.gz NDJOEMCOBGZNLP-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579332852 1075558018 /nfs/dbraw/zinc/55/80/18/1075558018.db2.gz NDJOEMCOBGZNLP-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579332852 1075558015 /nfs/dbraw/zinc/55/80/15/1075558015.db2.gz NDJOEMCOBGZNLP-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579332853 1075558064 /nfs/dbraw/zinc/55/80/64/1075558064.db2.gz NDJOEMCOBGZNLP-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579332853 1075558060 /nfs/dbraw/zinc/55/80/60/1075558060.db2.gz NDJOEMCOBGZNLP-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579332853 1075558057 /nfs/dbraw/zinc/55/80/57/1075558057.db2.gz NDJOEMCOBGZNLP-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579332853 1075558054 /nfs/dbraw/zinc/55/80/54/1075558054.db2.gz NDJOEMCOBGZNLP-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579332901 1075557968 /nfs/dbraw/zinc/55/79/68/1075557968.db2.gz MNHVMNVRQFAVCY-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579332901 1075557964 /nfs/dbraw/zinc/55/79/64/1075557964.db2.gz MNHVMNVRQFAVCY-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579332903 1075557933 /nfs/dbraw/zinc/55/79/33/1075557933.db2.gz MNHVMNVRQFAVCY-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579332903 1075557929 /nfs/dbraw/zinc/55/79/29/1075557929.db2.gz MNHVMNVRQFAVCY-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579332916 1075558038 /nfs/dbraw/zinc/55/80/38/1075558038.db2.gz NQZKMYVSBTWWHP-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579332916 1075558034 /nfs/dbraw/zinc/55/80/34/1075558034.db2.gz NQZKMYVSBTWWHP-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579332918 1075557858 /nfs/dbraw/zinc/55/78/58/1075557858.db2.gz NQZKMYVSBTWWHP-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579332918 1075557853 /nfs/dbraw/zinc/55/78/53/1075557853.db2.gz NQZKMYVSBTWWHP-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579332920 1075558045 /nfs/dbraw/zinc/55/80/45/1075558045.db2.gz MUBIWKHGJTWJNM-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579332922 1075557918 /nfs/dbraw/zinc/55/79/18/1075557918.db2.gz MUBIWKHGJTWJNM-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579333270 1075557954 /nfs/dbraw/zinc/55/79/54/1075557954.db2.gz PQVFTNFAOVCFKO-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579333270 1075557950 /nfs/dbraw/zinc/55/79/50/1075557950.db2.gz PQVFTNFAOVCFKO-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579333270 1075557947 /nfs/dbraw/zinc/55/79/47/1075557947.db2.gz PQVFTNFAOVCFKO-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579333270 1075557945 /nfs/dbraw/zinc/55/79/45/1075557945.db2.gz PQVFTNFAOVCFKO-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579333272 1075558084 /nfs/dbraw/zinc/55/80/84/1075558084.db2.gz PQVFTNFAOVCFKO-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579333272 1075558081 /nfs/dbraw/zinc/55/80/81/1075558081.db2.gz PQVFTNFAOVCFKO-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579333272 1075558077 /nfs/dbraw/zinc/55/80/77/1075558077.db2.gz PQVFTNFAOVCFKO-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579333272 1075558074 /nfs/dbraw/zinc/55/80/74/1075558074.db2.gz PQVFTNFAOVCFKO-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579333870 1075558505 /nfs/dbraw/zinc/55/85/05/1075558505.db2.gz SXIRUSLWYBWDQN-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579333870 1075558501 /nfs/dbraw/zinc/55/85/01/1075558501.db2.gz SXIRUSLWYBWDQN-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579333871 1075558520 /nfs/dbraw/zinc/55/85/20/1075558520.db2.gz SXIRUSLWYBWDQN-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579333871 1075558514 /nfs/dbraw/zinc/55/85/14/1075558514.db2.gz SXIRUSLWYBWDQN-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579333937 1075558422 /nfs/dbraw/zinc/55/84/22/1075558422.db2.gz SXGXSZMYXUCCAU-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579333937 1075558420 /nfs/dbraw/zinc/55/84/20/1075558420.db2.gz SXGXSZMYXUCCAU-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579333937 1075558417 /nfs/dbraw/zinc/55/84/17/1075558417.db2.gz SXGXSZMYXUCCAU-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579333937 1075558415 /nfs/dbraw/zinc/55/84/15/1075558415.db2.gz SXGXSZMYXUCCAU-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579333940 1075558368 /nfs/dbraw/zinc/55/83/68/1075558368.db2.gz SXGXSZMYXUCCAU-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579333940 1075558365 /nfs/dbraw/zinc/55/83/65/1075558365.db2.gz SXGXSZMYXUCCAU-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579333940 1075558361 /nfs/dbraw/zinc/55/83/61/1075558361.db2.gz SXGXSZMYXUCCAU-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579333940 1075558359 /nfs/dbraw/zinc/55/83/59/1075558359.db2.gz SXGXSZMYXUCCAU-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579334126 1075558758 /nfs/dbraw/zinc/55/87/58/1075558758.db2.gz CSMCSUAWJKHFSY-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579334126 1075558756 /nfs/dbraw/zinc/55/87/56/1075558756.db2.gz CSMCSUAWJKHFSY-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579334126 1075558754 /nfs/dbraw/zinc/55/87/54/1075558754.db2.gz CSMCSUAWJKHFSY-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579334126 1075558752 /nfs/dbraw/zinc/55/87/52/1075558752.db2.gz CSMCSUAWJKHFSY-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579334127 1075558898 /nfs/dbraw/zinc/55/88/98/1075558898.db2.gz CSMCSUAWJKHFSY-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579334127 1075558888 /nfs/dbraw/zinc/55/88/88/1075558888.db2.gz CSMCSUAWJKHFSY-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579334127 1075558882 /nfs/dbraw/zinc/55/88/82/1075558882.db2.gz CSMCSUAWJKHFSY-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579334127 1075558875 /nfs/dbraw/zinc/55/88/75/1075558875.db2.gz CSMCSUAWJKHFSY-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579334237 1075558338 /nfs/dbraw/zinc/55/83/38/1075558338.db2.gz VOSGYIBTGAPUIT-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579334237 1075558333 /nfs/dbraw/zinc/55/83/33/1075558333.db2.gz VOSGYIBTGAPUIT-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579334237 1075558329 /nfs/dbraw/zinc/55/83/29/1075558329.db2.gz VOSGYIBTGAPUIT-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579334237 1075558327 /nfs/dbraw/zinc/55/83/27/1075558327.db2.gz VOSGYIBTGAPUIT-CMPLNLGQSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579334244 1075558809 /nfs/dbraw/zinc/55/88/09/1075558809.db2.gz VOSGYIBTGAPUIT-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579334244 1075558804 /nfs/dbraw/zinc/55/88/04/1075558804.db2.gz VOSGYIBTGAPUIT-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579334244 1075558800 /nfs/dbraw/zinc/55/88/00/1075558800.db2.gz VOSGYIBTGAPUIT-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579334244 1075558796 /nfs/dbraw/zinc/55/87/96/1075558796.db2.gz VOSGYIBTGAPUIT-JQWIXIFHSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579334245 1075559047 /nfs/dbraw/zinc/55/90/47/1075559047.db2.gz VOSGYIBTGAPUIT-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579334245 1075559043 /nfs/dbraw/zinc/55/90/43/1075559043.db2.gz VOSGYIBTGAPUIT-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579334245 1075559038 /nfs/dbraw/zinc/55/90/38/1075559038.db2.gz VOSGYIBTGAPUIT-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579334245 1075559032 /nfs/dbraw/zinc/55/90/32/1075559032.db2.gz VOSGYIBTGAPUIT-PWSUYJOCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579334247 1075559105 /nfs/dbraw/zinc/55/91/05/1075559105.db2.gz VOSGYIBTGAPUIT-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579334247 1075559101 /nfs/dbraw/zinc/55/91/01/1075559101.db2.gz VOSGYIBTGAPUIT-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579334247 1075559096 /nfs/dbraw/zinc/55/90/96/1075559096.db2.gz VOSGYIBTGAPUIT-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579334247 1075559095 /nfs/dbraw/zinc/55/90/95/1075559095.db2.gz VOSGYIBTGAPUIT-ZYHUDNBSSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579334353 1075559068 /nfs/dbraw/zinc/55/90/68/1075559068.db2.gz WPGQNNVOAOOQDO-GHMZBOCLSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579334353 1075559065 /nfs/dbraw/zinc/55/90/65/1075559065.db2.gz WPGQNNVOAOOQDO-GHMZBOCLSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579334353 1075559062 /nfs/dbraw/zinc/55/90/62/1075559062.db2.gz WPGQNNVOAOOQDO-GHMZBOCLSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579334353 1075559058 /nfs/dbraw/zinc/55/90/58/1075559058.db2.gz WPGQNNVOAOOQDO-GHMZBOCLSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579334354 1075559120 /nfs/dbraw/zinc/55/91/20/1075559120.db2.gz WPGQNNVOAOOQDO-MNOVXSKESA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579334354 1075559119 /nfs/dbraw/zinc/55/91/19/1075559119.db2.gz WPGQNNVOAOOQDO-MNOVXSKESA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579334354 1075559116 /nfs/dbraw/zinc/55/91/16/1075559116.db2.gz WPGQNNVOAOOQDO-MNOVXSKESA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579334354 1075559113 /nfs/dbraw/zinc/55/91/13/1075559113.db2.gz WPGQNNVOAOOQDO-MNOVXSKESA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579334355 1075559171 /nfs/dbraw/zinc/55/91/71/1075559171.db2.gz WPGQNNVOAOOQDO-QWRGUYRKSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579334355 1075559165 /nfs/dbraw/zinc/55/91/65/1075559165.db2.gz WPGQNNVOAOOQDO-QWRGUYRKSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579334355 1075559163 /nfs/dbraw/zinc/55/91/63/1075559163.db2.gz WPGQNNVOAOOQDO-QWRGUYRKSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579334355 1075559160 /nfs/dbraw/zinc/55/91/60/1075559160.db2.gz WPGQNNVOAOOQDO-QWRGUYRKSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579334356 1075558781 /nfs/dbraw/zinc/55/87/81/1075558781.db2.gz WPGQNNVOAOOQDO-WDEREUQCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579334356 1075558777 /nfs/dbraw/zinc/55/87/77/1075558777.db2.gz WPGQNNVOAOOQDO-WDEREUQCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579334356 1075558773 /nfs/dbraw/zinc/55/87/73/1075558773.db2.gz WPGQNNVOAOOQDO-WDEREUQCSA-N 0 3 376.421 -1.304 20 0 GAADHN CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579334356 1075558770 /nfs/dbraw/zinc/55/87/70/1075558770.db2.gz WPGQNNVOAOOQDO-WDEREUQCSA-N 0 3 376.421 -1.304 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579334390 1075558851 /nfs/dbraw/zinc/55/88/51/1075558851.db2.gz XDXJIKYUAVFWLO-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579334390 1075558845 /nfs/dbraw/zinc/55/88/45/1075558845.db2.gz XDXJIKYUAVFWLO-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579334390 1075558837 /nfs/dbraw/zinc/55/88/37/1075558837.db2.gz XDXJIKYUAVFWLO-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579334390 1075558833 /nfs/dbraw/zinc/55/88/33/1075558833.db2.gz XDXJIKYUAVFWLO-APPDUMDISA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579334391 1075559085 /nfs/dbraw/zinc/55/90/85/1075559085.db2.gz XDXJIKYUAVFWLO-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579334391 1075559082 /nfs/dbraw/zinc/55/90/82/1075559082.db2.gz XDXJIKYUAVFWLO-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579334391 1075559078 /nfs/dbraw/zinc/55/90/78/1075559078.db2.gz XDXJIKYUAVFWLO-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579334391 1075559076 /nfs/dbraw/zinc/55/90/76/1075559076.db2.gz XDXJIKYUAVFWLO-DIFFPNOSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579334392 1075559201 /nfs/dbraw/zinc/55/92/01/1075559201.db2.gz XDXJIKYUAVFWLO-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579334392 1075559199 /nfs/dbraw/zinc/55/91/99/1075559199.db2.gz XDXJIKYUAVFWLO-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579334392 1075559194 /nfs/dbraw/zinc/55/91/94/1075559194.db2.gz XDXJIKYUAVFWLO-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579334392 1075559192 /nfs/dbraw/zinc/55/91/92/1075559192.db2.gz XDXJIKYUAVFWLO-GTNSWQLSSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579334393 1075558937 /nfs/dbraw/zinc/55/89/37/1075558937.db2.gz XDXJIKYUAVFWLO-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579334393 1075558932 /nfs/dbraw/zinc/55/89/32/1075558932.db2.gz XDXJIKYUAVFWLO-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579334393 1075558926 /nfs/dbraw/zinc/55/89/26/1075558926.db2.gz XDXJIKYUAVFWLO-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579334393 1075558918 /nfs/dbraw/zinc/55/89/18/1075558918.db2.gz XDXJIKYUAVFWLO-PIGZYNQJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579334531 1075558955 /nfs/dbraw/zinc/55/89/55/1075558955.db2.gz YJCAXFJQYHFWAV-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579334531 1075558951 /nfs/dbraw/zinc/55/89/51/1075558951.db2.gz YJCAXFJQYHFWAV-LLVKDONJSA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579334533 1075559004 /nfs/dbraw/zinc/55/90/04/1075559004.db2.gz YJCAXFJQYHFWAV-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579334533 1075559000 /nfs/dbraw/zinc/55/90/00/1075559000.db2.gz YJCAXFJQYHFWAV-NSHDSACASA-N 0 3 376.421 -1.257 20 0 GAADHN C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001579334657 1075559475 /nfs/dbraw/zinc/55/94/75/1075559475.db2.gz YXNSRXLXIMJFGY-UHFFFAOYSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579335468 1075559426 /nfs/dbraw/zinc/55/94/26/1075559426.db2.gz RLCPSQOSKMCGJI-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579335468 1075559425 /nfs/dbraw/zinc/55/94/25/1075559425.db2.gz RLCPSQOSKMCGJI-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579335468 1075559424 /nfs/dbraw/zinc/55/94/24/1075559424.db2.gz RLCPSQOSKMCGJI-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579335468 1075559423 /nfs/dbraw/zinc/55/94/23/1075559423.db2.gz RLCPSQOSKMCGJI-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579335469 1075559662 /nfs/dbraw/zinc/55/96/62/1075559662.db2.gz RLCPSQOSKMCGJI-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579335469 1075559657 /nfs/dbraw/zinc/55/96/57/1075559657.db2.gz RLCPSQOSKMCGJI-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579335469 1075559655 /nfs/dbraw/zinc/55/96/55/1075559655.db2.gz RLCPSQOSKMCGJI-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579335469 1075559649 /nfs/dbraw/zinc/55/96/49/1075559649.db2.gz RLCPSQOSKMCGJI-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579336107 1075559435 /nfs/dbraw/zinc/55/94/35/1075559435.db2.gz YSBNYIACLBVDGG-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579336107 1075559434 /nfs/dbraw/zinc/55/94/34/1075559434.db2.gz YSBNYIACLBVDGG-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579336107 1075559433 /nfs/dbraw/zinc/55/94/33/1075559433.db2.gz YSBNYIACLBVDGG-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579336107 1075559432 /nfs/dbraw/zinc/55/94/32/1075559432.db2.gz YSBNYIACLBVDGG-LLVKDONJSA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579336108 1075559530 /nfs/dbraw/zinc/55/95/30/1075559530.db2.gz YSBNYIACLBVDGG-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579336108 1075559523 /nfs/dbraw/zinc/55/95/23/1075559523.db2.gz YSBNYIACLBVDGG-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579336108 1075559516 /nfs/dbraw/zinc/55/95/16/1075559516.db2.gz YSBNYIACLBVDGG-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579336108 1075559506 /nfs/dbraw/zinc/55/95/06/1075559506.db2.gz YSBNYIACLBVDGG-NSHDSACASA-N 0 3 376.421 -1.303 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)CC1 ZINC001579337934 1075559847 /nfs/dbraw/zinc/55/98/47/1075559847.db2.gz AMRZYHLSKSCKAI-ZIAGYGMSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)CC1 ZINC001579337934 1075559844 /nfs/dbraw/zinc/55/98/44/1075559844.db2.gz AMRZYHLSKSCKAI-ZIAGYGMSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)CC1 ZINC001579338397 1075559985 /nfs/dbraw/zinc/55/99/85/1075559985.db2.gz MJCAGLTVNNLFJL-KGLIPLIRSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)CC1 ZINC001579338398 1075560034 /nfs/dbraw/zinc/56/00/34/1075560034.db2.gz MJCAGLTVNNLFJL-ZIAGYGMSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001579338880 1075560552 /nfs/dbraw/zinc/56/05/52/1075560552.db2.gz ZWKGLDLGGNGDRQ-CYBMUJFWSA-N 0 3 386.464 -1.153 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001579338880 1075560550 /nfs/dbraw/zinc/56/05/50/1075560550.db2.gz ZWKGLDLGGNGDRQ-CYBMUJFWSA-N 0 3 386.464 -1.153 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001579338881 1075560484 /nfs/dbraw/zinc/56/04/84/1075560484.db2.gz ZWKGLDLGGNGDRQ-ZDUSSCGKSA-N 0 3 386.464 -1.153 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001579338881 1075560480 /nfs/dbraw/zinc/56/04/80/1075560480.db2.gz ZWKGLDLGGNGDRQ-ZDUSSCGKSA-N 0 3 386.464 -1.153 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579341246 1075560906 /nfs/dbraw/zinc/56/09/06/1075560906.db2.gz HAFCURLVOUKVBE-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579341246 1075560904 /nfs/dbraw/zinc/56/09/04/1075560904.db2.gz HAFCURLVOUKVBE-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579341246 1075560902 /nfs/dbraw/zinc/56/09/02/1075560902.db2.gz HAFCURLVOUKVBE-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579341246 1075560900 /nfs/dbraw/zinc/56/09/00/1075560900.db2.gz HAFCURLVOUKVBE-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579341248 1075561182 /nfs/dbraw/zinc/56/11/82/1075561182.db2.gz HAFCURLVOUKVBE-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579341248 1075561181 /nfs/dbraw/zinc/56/11/81/1075561181.db2.gz HAFCURLVOUKVBE-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579341248 1075561177 /nfs/dbraw/zinc/56/11/77/1075561177.db2.gz HAFCURLVOUKVBE-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579341248 1075561174 /nfs/dbraw/zinc/56/11/74/1075561174.db2.gz HAFCURLVOUKVBE-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579341443 1075561526 /nfs/dbraw/zinc/56/15/26/1075561526.db2.gz MFVGTTMJSICZJR-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579341443 1075561520 /nfs/dbraw/zinc/56/15/20/1075561520.db2.gz MFVGTTMJSICZJR-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579341443 1075561516 /nfs/dbraw/zinc/56/15/16/1075561516.db2.gz MFVGTTMJSICZJR-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579341443 1075561511 /nfs/dbraw/zinc/56/15/11/1075561511.db2.gz MFVGTTMJSICZJR-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579341444 1075561446 /nfs/dbraw/zinc/56/14/46/1075561446.db2.gz MFVGTTMJSICZJR-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579341444 1075561443 /nfs/dbraw/zinc/56/14/43/1075561443.db2.gz MFVGTTMJSICZJR-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579341444 1075561439 /nfs/dbraw/zinc/56/14/39/1075561439.db2.gz MFVGTTMJSICZJR-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579341444 1075561434 /nfs/dbraw/zinc/56/14/34/1075561434.db2.gz MFVGTTMJSICZJR-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579341853 1075561552 /nfs/dbraw/zinc/56/15/52/1075561552.db2.gz XADPZLUAHDDWOX-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579341853 1075561548 /nfs/dbraw/zinc/56/15/48/1075561548.db2.gz XADPZLUAHDDWOX-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579341853 1075561544 /nfs/dbraw/zinc/56/15/44/1075561544.db2.gz XADPZLUAHDDWOX-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579341853 1075561541 /nfs/dbraw/zinc/56/15/41/1075561541.db2.gz XADPZLUAHDDWOX-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579341854 1075561215 /nfs/dbraw/zinc/56/12/15/1075561215.db2.gz XADPZLUAHDDWOX-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001579341854 1075561213 /nfs/dbraw/zinc/56/12/13/1075561213.db2.gz XADPZLUAHDDWOX-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579341854 1075561211 /nfs/dbraw/zinc/56/12/11/1075561211.db2.gz XADPZLUAHDDWOX-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001579341854 1075561209 /nfs/dbraw/zinc/56/12/09/1075561209.db2.gz XADPZLUAHDDWOX-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579342641 1075561311 /nfs/dbraw/zinc/56/13/11/1075561311.db2.gz ATSFHCNYOXMXMX-CMPLNLGQSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579342641 1075561307 /nfs/dbraw/zinc/56/13/07/1075561307.db2.gz ATSFHCNYOXMXMX-CMPLNLGQSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579342641 1075561303 /nfs/dbraw/zinc/56/13/03/1075561303.db2.gz ATSFHCNYOXMXMX-CMPLNLGQSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579342641 1075561299 /nfs/dbraw/zinc/56/12/99/1075561299.db2.gz ATSFHCNYOXMXMX-CMPLNLGQSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579342642 1075561480 /nfs/dbraw/zinc/56/14/80/1075561480.db2.gz ATSFHCNYOXMXMX-JQWIXIFHSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579342642 1075561477 /nfs/dbraw/zinc/56/14/77/1075561477.db2.gz ATSFHCNYOXMXMX-JQWIXIFHSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579342642 1075561471 /nfs/dbraw/zinc/56/14/71/1075561471.db2.gz ATSFHCNYOXMXMX-JQWIXIFHSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579342642 1075561467 /nfs/dbraw/zinc/56/14/67/1075561467.db2.gz ATSFHCNYOXMXMX-JQWIXIFHSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579342643 1075561204 /nfs/dbraw/zinc/56/12/04/1075561204.db2.gz ATSFHCNYOXMXMX-PWSUYJOCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579342643 1075561202 /nfs/dbraw/zinc/56/12/02/1075561202.db2.gz ATSFHCNYOXMXMX-PWSUYJOCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579342643 1075561201 /nfs/dbraw/zinc/56/12/01/1075561201.db2.gz ATSFHCNYOXMXMX-PWSUYJOCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579342643 1075561199 /nfs/dbraw/zinc/56/11/99/1075561199.db2.gz ATSFHCNYOXMXMX-PWSUYJOCSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579342644 1075561414 /nfs/dbraw/zinc/56/14/14/1075561414.db2.gz ATSFHCNYOXMXMX-ZYHUDNBSSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579342644 1075561408 /nfs/dbraw/zinc/56/14/08/1075561408.db2.gz ATSFHCNYOXMXMX-ZYHUDNBSSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579342644 1075561404 /nfs/dbraw/zinc/56/14/04/1075561404.db2.gz ATSFHCNYOXMXMX-ZYHUDNBSSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579342644 1075561400 /nfs/dbraw/zinc/56/14/00/1075561400.db2.gz ATSFHCNYOXMXMX-ZYHUDNBSSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579342675 1075561369 /nfs/dbraw/zinc/56/13/69/1075561369.db2.gz BHCLTIRXEOKBKU-GHMZBOCLSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579342675 1075561361 /nfs/dbraw/zinc/56/13/61/1075561361.db2.gz BHCLTIRXEOKBKU-GHMZBOCLSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579342675 1075561357 /nfs/dbraw/zinc/56/13/57/1075561357.db2.gz BHCLTIRXEOKBKU-GHMZBOCLSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579342675 1075561350 /nfs/dbraw/zinc/56/13/50/1075561350.db2.gz BHCLTIRXEOKBKU-GHMZBOCLSA-N 0 3 376.421 -1.257 20 0 GAADHN 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C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)C1 ZINC001579345116 1075563727 /nfs/dbraw/zinc/56/37/27/1075563727.db2.gz URYUVNRYRFZWHF-HONMWMINSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579345538 1075563832 /nfs/dbraw/zinc/56/38/32/1075563832.db2.gz LJMAXSQBHNYEDH-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579345538 1075563829 /nfs/dbraw/zinc/56/38/29/1075563829.db2.gz LJMAXSQBHNYEDH-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579345538 1075563827 /nfs/dbraw/zinc/56/38/27/1075563827.db2.gz LJMAXSQBHNYEDH-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579345538 1075563824 /nfs/dbraw/zinc/56/38/24/1075563824.db2.gz LJMAXSQBHNYEDH-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579345541 1075563894 /nfs/dbraw/zinc/56/38/94/1075563894.db2.gz LJMAXSQBHNYEDH-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001579345541 1075563889 /nfs/dbraw/zinc/56/38/89/1075563889.db2.gz LJMAXSQBHNYEDH-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579345541 1075563887 /nfs/dbraw/zinc/56/38/87/1075563887.db2.gz LJMAXSQBHNYEDH-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001579345541 1075563881 /nfs/dbraw/zinc/56/38/81/1075563881.db2.gz LJMAXSQBHNYEDH-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579346373 1075564174 /nfs/dbraw/zinc/56/41/74/1075564174.db2.gz PVGRPGPLIWEKMY-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579346373 1075564170 /nfs/dbraw/zinc/56/41/70/1075564170.db2.gz PVGRPGPLIWEKMY-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579346373 1075564165 /nfs/dbraw/zinc/56/41/65/1075564165.db2.gz PVGRPGPLIWEKMY-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579346373 1075564157 /nfs/dbraw/zinc/56/41/57/1075564157.db2.gz PVGRPGPLIWEKMY-LLVKDONJSA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579346377 1075564297 /nfs/dbraw/zinc/56/42/97/1075564297.db2.gz PVGRPGPLIWEKMY-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001579346377 1075564291 /nfs/dbraw/zinc/56/42/91/1075564291.db2.gz PVGRPGPLIWEKMY-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579346377 1075564286 /nfs/dbraw/zinc/56/42/86/1075564286.db2.gz PVGRPGPLIWEKMY-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001579346377 1075564280 /nfs/dbraw/zinc/56/42/80/1075564280.db2.gz PVGRPGPLIWEKMY-NSHDSACASA-N 0 3 388.432 -1.160 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)C1 ZINC001579347949 1075565035 /nfs/dbraw/zinc/56/50/35/1075565035.db2.gz QZQDQRZRJNQNHC-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)C1 ZINC001579347949 1075565033 /nfs/dbraw/zinc/56/50/33/1075565033.db2.gz QZQDQRZRJNQNHC-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)C1 ZINC001579347949 1075565030 /nfs/dbraw/zinc/56/50/30/1075565030.db2.gz QZQDQRZRJNQNHC-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)C1 ZINC001579347949 1075565027 /nfs/dbraw/zinc/56/50/27/1075565027.db2.gz QZQDQRZRJNQNHC-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)C1 ZINC001579347950 1075565050 /nfs/dbraw/zinc/56/50/50/1075565050.db2.gz QZQDQRZRJNQNHC-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)C1 ZINC001579347950 1075565048 /nfs/dbraw/zinc/56/50/48/1075565048.db2.gz QZQDQRZRJNQNHC-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)C1 ZINC001579347950 1075565046 /nfs/dbraw/zinc/56/50/46/1075565046.db2.gz QZQDQRZRJNQNHC-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)C1 ZINC001579347950 1075565043 /nfs/dbraw/zinc/56/50/43/1075565043.db2.gz QZQDQRZRJNQNHC-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)C1 ZINC001579348154 1075565020 /nfs/dbraw/zinc/56/50/20/1075565020.db2.gz UTJWLPXWAXEYRS-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)C1 ZINC001579348154 1075565017 /nfs/dbraw/zinc/56/50/17/1075565017.db2.gz UTJWLPXWAXEYRS-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)C1 ZINC001579348154 1075565014 /nfs/dbraw/zinc/56/50/14/1075565014.db2.gz UTJWLPXWAXEYRS-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)C1 ZINC001579348154 1075565011 /nfs/dbraw/zinc/56/50/11/1075565011.db2.gz UTJWLPXWAXEYRS-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)C1 ZINC001579348156 1075565093 /nfs/dbraw/zinc/56/50/93/1075565093.db2.gz UTJWLPXWAXEYRS-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)C1 ZINC001579348156 1075565090 /nfs/dbraw/zinc/56/50/90/1075565090.db2.gz UTJWLPXWAXEYRS-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)C1 ZINC001579348156 1075565088 /nfs/dbraw/zinc/56/50/88/1075565088.db2.gz UTJWLPXWAXEYRS-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)C1 ZINC001579348156 1075565086 /nfs/dbraw/zinc/56/50/86/1075565086.db2.gz UTJWLPXWAXEYRS-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)C1 ZINC001579348266 1075564939 /nfs/dbraw/zinc/56/49/39/1075564939.db2.gz YDPUUJZTQGCFNF-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)C1 ZINC001579348266 1075564936 /nfs/dbraw/zinc/56/49/36/1075564936.db2.gz YDPUUJZTQGCFNF-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)C1 ZINC001579348266 1075564933 /nfs/dbraw/zinc/56/49/33/1075564933.db2.gz YDPUUJZTQGCFNF-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)C1 ZINC001579348266 1075564926 /nfs/dbraw/zinc/56/49/26/1075564926.db2.gz YDPUUJZTQGCFNF-LERXQTSPSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)C1 ZINC001579348267 1075565598 /nfs/dbraw/zinc/56/55/98/1075565598.db2.gz YDPUUJZTQGCFNF-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)C1 ZINC001579348267 1075565594 /nfs/dbraw/zinc/56/55/94/1075565594.db2.gz YDPUUJZTQGCFNF-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)C1 ZINC001579348267 1075565590 /nfs/dbraw/zinc/56/55/90/1075565590.db2.gz YDPUUJZTQGCFNF-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)C1 ZINC001579348267 1075565584 /nfs/dbraw/zinc/56/55/84/1075565584.db2.gz YDPUUJZTQGCFNF-ZLKJLUDKSA-N 0 3 388.432 -1.162 20 0 GAADHN CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001579348718 1075565645 /nfs/dbraw/zinc/56/56/45/1075565645.db2.gz GLDHMUGHTCNABV-GFCCVEGCSA-N 0 3 388.432 -1.018 20 0 GAADHN CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001579348719 1075565325 /nfs/dbraw/zinc/56/53/25/1075565325.db2.gz GLDHMUGHTCNABV-LBPRGKRZSA-N 0 3 388.432 -1.018 20 0 GAADHN CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1=O ZINC001579350051 1075566807 /nfs/dbraw/zinc/56/68/07/1075566807.db2.gz WTRAVPQLJFKECH-GFCCVEGCSA-N 0 3 388.432 -1.018 20 0 GAADHN CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1=O ZINC001579350052 1075566635 /nfs/dbraw/zinc/56/66/35/1075566635.db2.gz WTRAVPQLJFKECH-LBPRGKRZSA-N 0 3 388.432 -1.018 20 0 GAADHN CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1=O ZINC001579350292 1075566818 /nfs/dbraw/zinc/56/68/18/1075566818.db2.gz ZEGDHUVLMNYJOQ-GFCCVEGCSA-N 0 3 388.432 -1.018 20 0 GAADHN CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1=O ZINC001579350294 1075566838 /nfs/dbraw/zinc/56/68/38/1075566838.db2.gz ZEGDHUVLMNYJOQ-LBPRGKRZSA-N 0 3 388.432 -1.018 20 0 GAADHN CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001579350669 1075567151 /nfs/dbraw/zinc/56/71/51/1075567151.db2.gz HPJNZWSTIFJWIT-GFCCVEGCSA-N 0 3 376.421 -1.160 20 0 GAADHN CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001579350670 1075567101 /nfs/dbraw/zinc/56/71/01/1075567101.db2.gz HPJNZWSTIFJWIT-LBPRGKRZSA-N 0 3 376.421 -1.160 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001579375665 1075572729 /nfs/dbraw/zinc/57/27/29/1075572729.db2.gz BGJPZKQXTVGIJG-CMPLNLGQSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001579375666 1075572519 /nfs/dbraw/zinc/57/25/19/1075572519.db2.gz BGJPZKQXTVGIJG-JQWIXIFHSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001579375667 1075572644 /nfs/dbraw/zinc/57/26/44/1075572644.db2.gz BGJPZKQXTVGIJG-PWSUYJOCSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001579375668 1075572713 /nfs/dbraw/zinc/57/27/13/1075572713.db2.gz BGJPZKQXTVGIJG-ZYHUDNBSSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579376073 1075573014 /nfs/dbraw/zinc/57/30/14/1075573014.db2.gz KEJVEMBINVWGHM-DZGCQCFKSA-N 0 3 375.433 -1.236 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579376074 1075573175 /nfs/dbraw/zinc/57/31/75/1075573175.db2.gz KEJVEMBINVWGHM-HIFRSBDPSA-N 0 3 375.433 -1.236 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579376075 1075573110 /nfs/dbraw/zinc/57/31/10/1075573110.db2.gz KEJVEMBINVWGHM-UKRRQHHQSA-N 0 3 375.433 -1.236 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579376076 1075573599 /nfs/dbraw/zinc/57/35/99/1075573599.db2.gz KEJVEMBINVWGHM-ZFWWWQNUSA-N 0 3 375.433 -1.236 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579376115 1075573373 /nfs/dbraw/zinc/57/33/73/1075573373.db2.gz KTKAADKEGKJAPT-CMPLNLGQSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001579376115 1075573371 /nfs/dbraw/zinc/57/33/71/1075573371.db2.gz KTKAADKEGKJAPT-CMPLNLGQSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579376116 1075573492 /nfs/dbraw/zinc/57/34/92/1075573492.db2.gz KTKAADKEGKJAPT-JQWIXIFHSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001579376116 1075573486 /nfs/dbraw/zinc/57/34/86/1075573486.db2.gz KTKAADKEGKJAPT-JQWIXIFHSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579376117 1075573662 /nfs/dbraw/zinc/57/36/62/1075573662.db2.gz KTKAADKEGKJAPT-PWSUYJOCSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001579376117 1075573658 /nfs/dbraw/zinc/57/36/58/1075573658.db2.gz KTKAADKEGKJAPT-PWSUYJOCSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579376118 1075573440 /nfs/dbraw/zinc/57/34/40/1075573440.db2.gz KTKAADKEGKJAPT-ZYHUDNBSSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001579376118 1075573437 /nfs/dbraw/zinc/57/34/37/1075573437.db2.gz KTKAADKEGKJAPT-ZYHUDNBSSA-N 0 3 381.462 -1.175 20 0 GAADHN CN1CCO[C@H](C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001579376853 1075575011 /nfs/dbraw/zinc/57/50/11/1075575011.db2.gz GCVFFLVMDBIBLO-AWEZNQCLSA-N 0 3 376.421 -1.753 20 0 GAADHN CN1CCO[C@@H](C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001579376854 1075575111 /nfs/dbraw/zinc/57/51/11/1075575111.db2.gz GCVFFLVMDBIBLO-CQSZACIVSA-N 0 3 376.421 -1.753 20 0 GAADHN CN1CCO[C@H](C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001579376903 1075575841 /nfs/dbraw/zinc/57/58/41/1075575841.db2.gz YEYOKSKDMNHSSG-DOMZBBRYSA-N 0 3 388.432 -1.347 20 0 GAADHN CN1CCO[C@@H](C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001579376904 1075575805 /nfs/dbraw/zinc/57/58/05/1075575805.db2.gz YEYOKSKDMNHSSG-IUODEOHRSA-N 0 3 388.432 -1.347 20 0 GAADHN CN1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001579376905 1075575875 /nfs/dbraw/zinc/57/58/75/1075575875.db2.gz YEYOKSKDMNHSSG-SWLSCSKDSA-N 0 3 388.432 -1.347 20 0 GAADHN CN1CCO[C@H](C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001579376906 1075575660 /nfs/dbraw/zinc/57/56/60/1075575660.db2.gz YEYOKSKDMNHSSG-WFASDCNBSA-N 0 3 388.432 -1.347 20 0 GAADHN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001579377342 1075576875 /nfs/dbraw/zinc/57/68/75/1075576875.db2.gz NFWGOXCPMJEWHX-BXUZGUMPSA-N 0 3 376.421 -1.755 20 0 GAADHN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001579377343 1075576671 /nfs/dbraw/zinc/57/66/71/1075576671.db2.gz NFWGOXCPMJEWHX-FZMZJTMJSA-N 0 3 376.421 -1.755 20 0 GAADHN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001579377344 1075576830 /nfs/dbraw/zinc/57/68/30/1075576830.db2.gz NFWGOXCPMJEWHX-RISCZKNCSA-N 0 3 376.421 -1.755 20 0 GAADHN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001579377345 1075576691 /nfs/dbraw/zinc/57/66/91/1075576691.db2.gz NFWGOXCPMJEWHX-SMDDNHRTSA-N 0 3 376.421 -1.755 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001579378294 1075579019 /nfs/dbraw/zinc/57/90/19/1075579019.db2.gz HBIZRTRBRNTYHJ-DOMZBBRYSA-N 0 3 388.432 -1.086 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001579378295 1075578905 /nfs/dbraw/zinc/57/89/05/1075578905.db2.gz HBIZRTRBRNTYHJ-IUODEOHRSA-N 0 3 388.432 -1.086 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001579378296 1075578791 /nfs/dbraw/zinc/57/87/91/1075578791.db2.gz HBIZRTRBRNTYHJ-SWLSCSKDSA-N 0 3 388.432 -1.086 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001579378297 1075578742 /nfs/dbraw/zinc/57/87/42/1075578742.db2.gz HBIZRTRBRNTYHJ-WFASDCNBSA-N 0 3 388.432 -1.086 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001579379187 1075580772 /nfs/dbraw/zinc/58/07/72/1075580772.db2.gz RFVCTQBYIRKTML-PBHICJAKSA-N 0 3 388.432 -1.350 20 0 GAADHN CN1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001579379190 1075581014 /nfs/dbraw/zinc/58/10/14/1075581014.db2.gz RFVCTQBYIRKTML-RHSMWYFYSA-N 0 3 388.432 -1.350 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001579379193 1075581060 /nfs/dbraw/zinc/58/10/60/1075581060.db2.gz RFVCTQBYIRKTML-WMLDXEAASA-N 0 3 388.432 -1.350 20 0 GAADHN CN1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001579379195 1075580953 /nfs/dbraw/zinc/58/09/53/1075580953.db2.gz RFVCTQBYIRKTML-YOEHRIQHSA-N 0 3 388.432 -1.350 20 0 GAADHN CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579385629 1075583086 /nfs/dbraw/zinc/58/30/86/1075583086.db2.gz MUVHBHYROAZEHV-JTQLQIEISA-N 0 3 376.421 -1.114 20 0 GAADHN CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579385630 1075583131 /nfs/dbraw/zinc/58/31/31/1075583131.db2.gz MUVHBHYROAZEHV-SNVBAGLBSA-N 0 3 376.421 -1.114 20 0 GAADHN CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579385715 1075583118 /nfs/dbraw/zinc/58/31/18/1075583118.db2.gz PMTCAFCNQKAGQH-JTQLQIEISA-N 0 3 376.421 -1.114 20 0 GAADHN CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579385716 1075583079 /nfs/dbraw/zinc/58/30/79/1075583079.db2.gz PMTCAFCNQKAGQH-SNVBAGLBSA-N 0 3 376.421 -1.114 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579397535 1075586697 /nfs/dbraw/zinc/58/66/97/1075586697.db2.gz ATQOCTZTQDDMIQ-BDAKNGLRSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579397536 1075586590 /nfs/dbraw/zinc/58/65/90/1075586590.db2.gz ATQOCTZTQDDMIQ-DTWKUNHWSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579397537 1075586727 /nfs/dbraw/zinc/58/67/27/1075586727.db2.gz ATQOCTZTQDDMIQ-IUCAKERBSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579397538 1075586613 /nfs/dbraw/zinc/58/66/13/1075586613.db2.gz ATQOCTZTQDDMIQ-RKDXNWHRSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579397569 1075586631 /nfs/dbraw/zinc/58/66/31/1075586631.db2.gz BUZIEXSVQBLBFK-HGNGGELXSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579397570 1075586690 /nfs/dbraw/zinc/58/66/90/1075586690.db2.gz BUZIEXSVQBLBFK-QNSHHTMESA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579397571 1075586607 /nfs/dbraw/zinc/58/66/07/1075586607.db2.gz BUZIEXSVQBLBFK-SZEHBUNVSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579397572 1075586667 /nfs/dbraw/zinc/58/66/67/1075586667.db2.gz BUZIEXSVQBLBFK-UJNFCWOMSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579397845 1075587920 /nfs/dbraw/zinc/58/79/20/1075587920.db2.gz JMPDCJJAOZAHOV-HGNGGELXSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579397845 1075587917 /nfs/dbraw/zinc/58/79/17/1075587917.db2.gz JMPDCJJAOZAHOV-HGNGGELXSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579397847 1075588010 /nfs/dbraw/zinc/58/80/10/1075588010.db2.gz JMPDCJJAOZAHOV-QNSHHTMESA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579397847 1075588008 /nfs/dbraw/zinc/58/80/08/1075588008.db2.gz JMPDCJJAOZAHOV-QNSHHTMESA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579397849 1075587979 /nfs/dbraw/zinc/58/79/79/1075587979.db2.gz JMPDCJJAOZAHOV-SZEHBUNVSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579397849 1075587977 /nfs/dbraw/zinc/58/79/77/1075587977.db2.gz JMPDCJJAOZAHOV-SZEHBUNVSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579397851 1075587892 /nfs/dbraw/zinc/58/78/92/1075587892.db2.gz JMPDCJJAOZAHOV-UJNFCWOMSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579397851 1075587890 /nfs/dbraw/zinc/58/78/90/1075587890.db2.gz JMPDCJJAOZAHOV-UJNFCWOMSA-N 0 3 375.393 -1.111 20 0 GAADHN CNC(=O)C[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579398023 1075588703 /nfs/dbraw/zinc/58/87/03/1075588703.db2.gz FAPWLUPJJBMWGJ-UHFFFAOYSA-N 0 3 375.437 -1.275 20 0 GAADHN CNC(=O)C[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579398601 1075589720 /nfs/dbraw/zinc/58/97/20/1075589720.db2.gz PPEZXWZYRWNADB-UHFFFAOYSA-N 0 3 375.437 -1.275 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579398798 1075590234 /nfs/dbraw/zinc/59/02/34/1075590234.db2.gz WZPLTZQDEHVKAX-BDAKNGLRSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579398798 1075590230 /nfs/dbraw/zinc/59/02/30/1075590230.db2.gz WZPLTZQDEHVKAX-BDAKNGLRSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579398799 1075590246 /nfs/dbraw/zinc/59/02/46/1075590246.db2.gz WZPLTZQDEHVKAX-DTWKUNHWSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579398799 1075590243 /nfs/dbraw/zinc/59/02/43/1075590243.db2.gz WZPLTZQDEHVKAX-DTWKUNHWSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579398800 1075590220 /nfs/dbraw/zinc/59/02/20/1075590220.db2.gz WZPLTZQDEHVKAX-IUCAKERBSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579398800 1075590216 /nfs/dbraw/zinc/59/02/16/1075590216.db2.gz WZPLTZQDEHVKAX-IUCAKERBSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579398801 1075590343 /nfs/dbraw/zinc/59/03/43/1075590343.db2.gz WZPLTZQDEHVKAX-RKDXNWHRSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579398801 1075590337 /nfs/dbraw/zinc/59/03/37/1075590337.db2.gz WZPLTZQDEHVKAX-RKDXNWHRSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579398807 1075589828 /nfs/dbraw/zinc/58/98/28/1075589828.db2.gz PREKXEAIDZTBLH-UHFFFAOYSA-N 0 3 375.437 -1.275 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579398933 1075590654 /nfs/dbraw/zinc/59/06/54/1075590654.db2.gz YGMDOKAIUJRNNG-BDAKNGLRSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579398936 1075590759 /nfs/dbraw/zinc/59/07/59/1075590759.db2.gz YGMDOKAIUJRNNG-DTWKUNHWSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579398939 1075590564 /nfs/dbraw/zinc/59/05/64/1075590564.db2.gz YGMDOKAIUJRNNG-IUCAKERBSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579398942 1075590543 /nfs/dbraw/zinc/59/05/43/1075590543.db2.gz YGMDOKAIUJRNNG-RKDXNWHRSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001579400622 1075590620 /nfs/dbraw/zinc/59/06/20/1075590620.db2.gz ALWVGPALGIYJOD-LLVKDONJSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001579400623 1075590553 /nfs/dbraw/zinc/59/05/53/1075590553.db2.gz ALWVGPALGIYJOD-NSHDSACASA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001579400712 1075590695 /nfs/dbraw/zinc/59/06/95/1075590695.db2.gz CLMOBKOAJBHXKU-GXSJLCMTSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001579400712 1075590692 /nfs/dbraw/zinc/59/06/92/1075590692.db2.gz CLMOBKOAJBHXKU-GXSJLCMTSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001579400713 1075590580 /nfs/dbraw/zinc/59/05/80/1075590580.db2.gz CLMOBKOAJBHXKU-KOLCDFICSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001579400713 1075590573 /nfs/dbraw/zinc/59/05/73/1075590573.db2.gz CLMOBKOAJBHXKU-KOLCDFICSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001579400714 1075590641 /nfs/dbraw/zinc/59/06/41/1075590641.db2.gz CLMOBKOAJBHXKU-MWLCHTKSSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001579400714 1075590635 /nfs/dbraw/zinc/59/06/35/1075590635.db2.gz CLMOBKOAJBHXKU-MWLCHTKSSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001579400715 1075590716 /nfs/dbraw/zinc/59/07/16/1075590716.db2.gz CLMOBKOAJBHXKU-ONGXEEELSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001579400715 1075590713 /nfs/dbraw/zinc/59/07/13/1075590713.db2.gz CLMOBKOAJBHXKU-ONGXEEELSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579400750 1075590604 /nfs/dbraw/zinc/59/06/04/1075590604.db2.gz DFMAKGYOZTVHIW-CZMCAQCFSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579400751 1075590748 /nfs/dbraw/zinc/59/07/48/1075590748.db2.gz DFMAKGYOZTVHIW-UHFFFAOYSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001579400839 1075591082 /nfs/dbraw/zinc/59/10/82/1075591082.db2.gz HGFCTCQJLNIBRS-LLVKDONJSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001579400840 1075591144 /nfs/dbraw/zinc/59/11/44/1075591144.db2.gz HGFCTCQJLNIBRS-NSHDSACASA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001579400871 1075591131 /nfs/dbraw/zinc/59/11/31/1075591131.db2.gz HTQZOHPMSVMVIO-LLVKDONJSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001579400872 1075591107 /nfs/dbraw/zinc/59/11/07/1075591107.db2.gz HTQZOHPMSVMVIO-NSHDSACASA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579400884 1075591137 /nfs/dbraw/zinc/59/11/37/1075591137.db2.gz IEJPZWPRJJISHU-UHFFFAOYSA-N 0 3 375.393 -1.157 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579400896 1075591056 /nfs/dbraw/zinc/59/10/56/1075591056.db2.gz INQZUHWVPQGFGB-SECBINFHSA-N 0 3 375.393 -1.298 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579400897 1075591089 /nfs/dbraw/zinc/59/10/89/1075591089.db2.gz INQZUHWVPQGFGB-VIFPVBQESA-N 0 3 375.393 -1.298 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001579400900 1075591096 /nfs/dbraw/zinc/59/10/96/1075591096.db2.gz IRTOMYLEQSBEEH-LLVKDONJSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001579400901 1075591071 /nfs/dbraw/zinc/59/10/71/1075591071.db2.gz IRTOMYLEQSBEEH-NSHDSACASA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579401070 1075591048 /nfs/dbraw/zinc/59/10/48/1075591048.db2.gz KZKABJKTPIFJQD-UHFFFAOYSA-N 0 3 375.393 -1.155 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001579401097 1075591558 /nfs/dbraw/zinc/59/15/58/1075591558.db2.gz LZIQKUHANKPLJC-PSASIEDQSA-N 0 3 375.393 -1.157 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001579401098 1075591534 /nfs/dbraw/zinc/59/15/34/1075591534.db2.gz LZIQKUHANKPLJC-SCZZXKLOSA-N 0 3 375.393 -1.157 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001579401099 1075591414 /nfs/dbraw/zinc/59/14/14/1075591414.db2.gz LZIQKUHANKPLJC-WCBMZHEXSA-N 0 3 375.393 -1.157 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001579401100 1075591511 /nfs/dbraw/zinc/59/15/11/1075591511.db2.gz LZIQKUHANKPLJC-WPRPVWTQSA-N 0 3 375.393 -1.157 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579401115 1075591444 /nfs/dbraw/zinc/59/14/44/1075591444.db2.gz MGYQAFPXFODHTR-CZMCAQCFSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579401115 1075591436 /nfs/dbraw/zinc/59/14/36/1075591436.db2.gz MGYQAFPXFODHTR-CZMCAQCFSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579401118 1075591365 /nfs/dbraw/zinc/59/13/65/1075591365.db2.gz MGYQAFPXFODHTR-UHFFFAOYSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579401118 1075591360 /nfs/dbraw/zinc/59/13/60/1075591360.db2.gz MGYQAFPXFODHTR-UHFFFAOYSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001579401123 1075591481 /nfs/dbraw/zinc/59/14/81/1075591481.db2.gz MMIJLZZZXXLLGS-NXEZZACHSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001579401126 1075591497 /nfs/dbraw/zinc/59/14/97/1075591497.db2.gz MMIJLZZZXXLLGS-UWVGGRQHSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001579401127 1075591425 /nfs/dbraw/zinc/59/14/25/1075591425.db2.gz MMIJLZZZXXLLGS-VHSXEESVSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001579401128 1075591403 /nfs/dbraw/zinc/59/14/03/1075591403.db2.gz MMIJLZZZXXLLGS-ZJUUUORDSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579401344 1075591390 /nfs/dbraw/zinc/59/13/90/1075591390.db2.gz NECMKZLYVPNEKA-UHFFFAOYSA-N 0 3 375.393 -1.155 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579401344 1075591383 /nfs/dbraw/zinc/59/13/83/1075591383.db2.gz NECMKZLYVPNEKA-UHFFFAOYSA-N 0 3 375.393 -1.155 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579401356 1075591306 /nfs/dbraw/zinc/59/13/06/1075591306.db2.gz NPIVVTPUADXTEH-KYZUINATSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579401357 1075591543 /nfs/dbraw/zinc/59/15/43/1075591543.db2.gz NPIVVTPUADXTEH-UHFFFAOYSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579401358 1075591524 /nfs/dbraw/zinc/59/15/24/1075591524.db2.gz NQMUSHOFTCUYPK-JTQLQIEISA-N 0 3 375.393 -1.155 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579401359 1075591468 /nfs/dbraw/zinc/59/14/68/1075591468.db2.gz NQMUSHOFTCUYPK-SNVBAGLBSA-N 0 3 375.393 -1.155 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579401380 1075591373 /nfs/dbraw/zinc/59/13/73/1075591373.db2.gz OBBZWKHCKVBNEN-UHFFFAOYSA-N 0 3 375.393 -1.157 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579401419 1075591566 /nfs/dbraw/zinc/59/15/66/1075591566.db2.gz PLDJHGHKAHTIDE-DTORHVGOSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579401420 1075591759 /nfs/dbraw/zinc/59/17/59/1075591759.db2.gz PLDJHGHKAHTIDE-KYZUINATSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579401421 1075591769 /nfs/dbraw/zinc/59/17/69/1075591769.db2.gz PLDJHGHKAHTIDE-UHFFFAOYSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001579401506 1075591744 /nfs/dbraw/zinc/59/17/44/1075591744.db2.gz QSFJJSNNYNDGDR-GXSJLCMTSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001579401507 1075591838 /nfs/dbraw/zinc/59/18/38/1075591838.db2.gz QSFJJSNNYNDGDR-KOLCDFICSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001579401508 1075591794 /nfs/dbraw/zinc/59/17/94/1075591794.db2.gz QSFJJSNNYNDGDR-MWLCHTKSSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001579401509 1075591819 /nfs/dbraw/zinc/59/18/19/1075591819.db2.gz QSFJJSNNYNDGDR-ONGXEEELSA-N 0 3 389.420 -1.052 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001579401521 1075591714 /nfs/dbraw/zinc/59/17/14/1075591714.db2.gz RBJCUUCNMJSZJQ-LLVKDONJSA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001579401522 1075591844 /nfs/dbraw/zinc/59/18/44/1075591844.db2.gz RBJCUUCNMJSZJQ-NSHDSACASA-N 0 3 377.409 -1.006 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579401558 1075591832 /nfs/dbraw/zinc/59/18/32/1075591832.db2.gz RQNNXJCLICWKFE-SECBINFHSA-N 0 3 375.393 -1.298 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579401558 1075591827 /nfs/dbraw/zinc/59/18/27/1075591827.db2.gz RQNNXJCLICWKFE-SECBINFHSA-N 0 3 375.393 -1.298 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579401559 1075591853 /nfs/dbraw/zinc/59/18/53/1075591853.db2.gz RQNNXJCLICWKFE-VIFPVBQESA-N 0 3 375.393 -1.298 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579401559 1075591850 /nfs/dbraw/zinc/59/18/50/1075591850.db2.gz RQNNXJCLICWKFE-VIFPVBQESA-N 0 3 375.393 -1.298 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579401569 1075591806 /nfs/dbraw/zinc/59/18/06/1075591806.db2.gz RWQNNSFCSKQEPI-CZMCAQCFSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579401570 1075591781 /nfs/dbraw/zinc/59/17/81/1075591781.db2.gz RWQNNSFCSKQEPI-UHFFFAOYSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579401628 1075591865 /nfs/dbraw/zinc/59/18/65/1075591865.db2.gz TYRAHFPAQDDCRZ-UHFFFAOYSA-N 0 3 375.393 -1.157 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001579401639 1075591859 /nfs/dbraw/zinc/59/18/59/1075591859.db2.gz UBXBAQVEZNMNIR-LLVKDONJSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001579401640 1075592214 /nfs/dbraw/zinc/59/22/14/1075592214.db2.gz UBXBAQVEZNMNIR-NSHDSACASA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001579401651 1075592061 /nfs/dbraw/zinc/59/20/61/1075592061.db2.gz UQNWPYBFUIYOCI-GZMMTYOYSA-N 0 3 375.393 -1.300 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001579401652 1075592126 /nfs/dbraw/zinc/59/21/26/1075592126.db2.gz UQNWPYBFUIYOCI-KCJUWKMLSA-N 0 3 375.393 -1.300 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001579401653 1075592221 /nfs/dbraw/zinc/59/22/21/1075592221.db2.gz UQNWPYBFUIYOCI-KWQFWETISA-N 0 3 375.393 -1.300 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001579401654 1075592199 /nfs/dbraw/zinc/59/21/99/1075592199.db2.gz UQNWPYBFUIYOCI-LDYMZIIASA-N 0 3 375.393 -1.300 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579401659 1075592168 /nfs/dbraw/zinc/59/21/68/1075592168.db2.gz UUMYYBYZKMEHBR-SNVBAGLBSA-N 0 3 375.393 -1.155 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579401729 1075592182 /nfs/dbraw/zinc/59/21/82/1075592182.db2.gz XHJPZCUTGRIFHW-CZMCAQCFSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579401730 1075592117 /nfs/dbraw/zinc/59/21/17/1075592117.db2.gz XHJPZCUTGRIFHW-UHFFFAOYSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579401731 1075592424 /nfs/dbraw/zinc/59/24/24/1075592424.db2.gz XHJPZCUTGRIFHW-WAAGHKOSSA-N 0 3 375.393 -1.252 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579401761 1075592510 /nfs/dbraw/zinc/59/25/10/1075592510.db2.gz XZZVNPVLMZLCJU-SECBINFHSA-N 0 3 375.393 -1.298 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579401762 1075592496 /nfs/dbraw/zinc/59/24/96/1075592496.db2.gz XZZVNPVLMZLCJU-VIFPVBQESA-N 0 3 375.393 -1.298 20 0 GAADHN CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579401801 1075592445 /nfs/dbraw/zinc/59/24/45/1075592445.db2.gz ZKADZIPMRBZTCX-UHFFFAOYSA-N 0 3 375.393 -1.155 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579402537 1075592795 /nfs/dbraw/zinc/59/27/95/1075592795.db2.gz LEZMXQQIILUTRL-CYBMUJFWSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579402537 1075592789 /nfs/dbraw/zinc/59/27/89/1075592789.db2.gz LEZMXQQIILUTRL-CYBMUJFWSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579402538 1075592816 /nfs/dbraw/zinc/59/28/16/1075592816.db2.gz LEZMXQQIILUTRL-ZDUSSCGKSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579402538 1075592810 /nfs/dbraw/zinc/59/28/10/1075592810.db2.gz LEZMXQQIILUTRL-ZDUSSCGKSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579402786 1075593298 /nfs/dbraw/zinc/59/32/98/1075593298.db2.gz PXPFFOBOHWMCLN-GFCCVEGCSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579402786 1075593294 /nfs/dbraw/zinc/59/32/94/1075593294.db2.gz PXPFFOBOHWMCLN-GFCCVEGCSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579402787 1075593183 /nfs/dbraw/zinc/59/31/83/1075593183.db2.gz PXPFFOBOHWMCLN-LBPRGKRZSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579402787 1075593181 /nfs/dbraw/zinc/59/31/81/1075593181.db2.gz PXPFFOBOHWMCLN-LBPRGKRZSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579403285 1075593975 /nfs/dbraw/zinc/59/39/75/1075593975.db2.gz YWVUROODGINBLD-CYBMUJFWSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579403285 1075593973 /nfs/dbraw/zinc/59/39/73/1075593973.db2.gz YWVUROODGINBLD-CYBMUJFWSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579403286 1075594019 /nfs/dbraw/zinc/59/40/19/1075594019.db2.gz YWVUROODGINBLD-ZDUSSCGKSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579403286 1075594016 /nfs/dbraw/zinc/59/40/16/1075594016.db2.gz YWVUROODGINBLD-ZDUSSCGKSA-N 0 3 376.421 -1.295 20 0 GAADHN CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579404311 1075595415 /nfs/dbraw/zinc/59/54/15/1075595415.db2.gz ZSYKLWGCWPAHQX-UHFFFAOYSA-N 0 3 376.421 -1.294 20 0 GAADHN CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579404311 1075595412 /nfs/dbraw/zinc/59/54/12/1075595412.db2.gz ZSYKLWGCWPAHQX-UHFFFAOYSA-N 0 3 376.421 -1.294 20 0 GAADHN CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001579409249 1075598801 /nfs/dbraw/zinc/59/88/01/1075598801.db2.gz GFOGJSHTVKJNFQ-JTQLQIEISA-N 0 3 380.384 -1.499 20 0 GAADHN CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001579409250 1075598907 /nfs/dbraw/zinc/59/89/07/1075598907.db2.gz GFOGJSHTVKJNFQ-SNVBAGLBSA-N 0 3 380.384 -1.499 20 0 GAADHN CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001579411650 1075601570 /nfs/dbraw/zinc/60/15/70/1075601570.db2.gz JMPSSRMTFCESKI-JTQLQIEISA-N 0 3 380.384 -1.499 20 0 GAADHN CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001579411651 1075601501 /nfs/dbraw/zinc/60/15/01/1075601501.db2.gz JMPSSRMTFCESKI-SNVBAGLBSA-N 0 3 380.384 -1.499 20 0 GAADHN CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001579412089 1075603228 /nfs/dbraw/zinc/60/32/28/1075603228.db2.gz WSJRGVYOXNWNOR-JTQLQIEISA-N 0 3 380.384 -1.499 20 0 GAADHN CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001579412089 1075603225 /nfs/dbraw/zinc/60/32/25/1075603225.db2.gz WSJRGVYOXNWNOR-JTQLQIEISA-N 0 3 380.384 -1.499 20 0 GAADHN CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001579412090 1075603386 /nfs/dbraw/zinc/60/33/86/1075603386.db2.gz WSJRGVYOXNWNOR-SNVBAGLBSA-N 0 3 380.384 -1.499 20 0 GAADHN CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001579412090 1075603385 /nfs/dbraw/zinc/60/33/85/1075603385.db2.gz WSJRGVYOXNWNOR-SNVBAGLBSA-N 0 3 380.384 -1.499 20 0 GAADHN CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001579412150 1075603787 /nfs/dbraw/zinc/60/37/87/1075603787.db2.gz YRVYRMPLPKUTQF-LLVKDONJSA-N 0 3 392.420 -1.629 20 0 GAADHN CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001579412150 1075603784 /nfs/dbraw/zinc/60/37/84/1075603784.db2.gz YRVYRMPLPKUTQF-LLVKDONJSA-N 0 3 392.420 -1.629 20 0 GAADHN CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001579412151 1075603729 /nfs/dbraw/zinc/60/37/29/1075603729.db2.gz YRVYRMPLPKUTQF-NSHDSACASA-N 0 3 392.420 -1.629 20 0 GAADHN CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001579412151 1075603728 /nfs/dbraw/zinc/60/37/28/1075603728.db2.gz YRVYRMPLPKUTQF-NSHDSACASA-N 0 3 392.420 -1.629 20 0 GAADHN CNC(=O)NCC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001579413850 1075605723 /nfs/dbraw/zinc/60/57/23/1075605723.db2.gz WIVHMPONEGIMBB-UHFFFAOYSA-N 0 3 388.436 -1.571 20 0 GAADHN CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579417978 1075607856 /nfs/dbraw/zinc/60/78/56/1075607856.db2.gz JOZNOLIMWCOTDJ-CYBMUJFWSA-N 0 3 376.421 -1.248 20 0 GAADHN CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579417978 1075607855 /nfs/dbraw/zinc/60/78/55/1075607855.db2.gz JOZNOLIMWCOTDJ-CYBMUJFWSA-N 0 3 376.421 -1.248 20 0 GAADHN CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579417979 1075607825 /nfs/dbraw/zinc/60/78/25/1075607825.db2.gz JOZNOLIMWCOTDJ-ZDUSSCGKSA-N 0 3 376.421 -1.248 20 0 GAADHN CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579417979 1075607823 /nfs/dbraw/zinc/60/78/23/1075607823.db2.gz JOZNOLIMWCOTDJ-ZDUSSCGKSA-N 0 3 376.421 -1.248 20 0 GAADHN CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579418166 1075608223 /nfs/dbraw/zinc/60/82/23/1075608223.db2.gz NUDLVKJUHUTAPN-GFCCVEGCSA-N 0 3 376.421 -1.248 20 0 GAADHN CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579418166 1075608216 /nfs/dbraw/zinc/60/82/16/1075608216.db2.gz NUDLVKJUHUTAPN-GFCCVEGCSA-N 0 3 376.421 -1.248 20 0 GAADHN CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579418167 1075608202 /nfs/dbraw/zinc/60/82/02/1075608202.db2.gz NUDLVKJUHUTAPN-LBPRGKRZSA-N 0 3 376.421 -1.248 20 0 GAADHN CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579418167 1075608199 /nfs/dbraw/zinc/60/81/99/1075608199.db2.gz NUDLVKJUHUTAPN-LBPRGKRZSA-N 0 3 376.421 -1.248 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579425771 1075615405 /nfs/dbraw/zinc/61/54/05/1075615405.db2.gz HWMJBSHPIDUWSD-LLVKDONJSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579425771 1075615400 /nfs/dbraw/zinc/61/54/00/1075615400.db2.gz HWMJBSHPIDUWSD-LLVKDONJSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579425775 1075615824 /nfs/dbraw/zinc/61/58/24/1075615824.db2.gz HWMJBSHPIDUWSD-NSHDSACASA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579425775 1075615821 /nfs/dbraw/zinc/61/58/21/1075615821.db2.gz HWMJBSHPIDUWSD-NSHDSACASA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579425902 1075615691 /nfs/dbraw/zinc/61/56/91/1075615691.db2.gz IWVAKZZNPOJNLM-GFCCVEGCSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579425902 1075615688 /nfs/dbraw/zinc/61/56/88/1075615688.db2.gz IWVAKZZNPOJNLM-GFCCVEGCSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579425904 1075615730 /nfs/dbraw/zinc/61/57/30/1075615730.db2.gz IWVAKZZNPOJNLM-LBPRGKRZSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579425904 1075615729 /nfs/dbraw/zinc/61/57/29/1075615729.db2.gz IWVAKZZNPOJNLM-LBPRGKRZSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579427083 1075618857 /nfs/dbraw/zinc/61/88/57/1075618857.db2.gz WKZFTPOKPKFOMH-GFCCVEGCSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579427083 1075618855 /nfs/dbraw/zinc/61/88/55/1075618855.db2.gz WKZFTPOKPKFOMH-GFCCVEGCSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579427084 1075618864 /nfs/dbraw/zinc/61/88/64/1075618864.db2.gz WKZFTPOKPKFOMH-LBPRGKRZSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579427084 1075618861 /nfs/dbraw/zinc/61/88/61/1075618861.db2.gz WKZFTPOKPKFOMH-LBPRGKRZSA-N 0 3 383.434 -2.017 20 0 GAADHN CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001579427302 1075619991 /nfs/dbraw/zinc/61/99/91/1075619991.db2.gz ZKJRMBNKZXLQMC-UHFFFAOYSA-N 0 3 383.434 -1.370 20 0 GAADHN CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001579427302 1075619988 /nfs/dbraw/zinc/61/99/88/1075619988.db2.gz ZKJRMBNKZXLQMC-UHFFFAOYSA-N 0 3 383.434 -1.370 20 0 GAADHN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001579427602 1075621764 /nfs/dbraw/zinc/62/17/64/1075621764.db2.gz KECZVRVTPPLVKY-NHAGDIPZSA-N 0 3 391.457 -1.038 20 0 GAADHN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001579427602 1075621761 /nfs/dbraw/zinc/62/17/61/1075621761.db2.gz KECZVRVTPPLVKY-NHAGDIPZSA-N 0 3 391.457 -1.038 20 0 GAADHN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001579427602 1075621756 /nfs/dbraw/zinc/62/17/56/1075621756.db2.gz KECZVRVTPPLVKY-NHAGDIPZSA-N 0 3 391.457 -1.038 20 0 GAADHN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001579427602 1075621753 /nfs/dbraw/zinc/62/17/53/1075621753.db2.gz KECZVRVTPPLVKY-NHAGDIPZSA-N 0 3 391.457 -1.038 20 0 GAADHN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001579427806 1075622934 /nfs/dbraw/zinc/62/29/34/1075622934.db2.gz QUMBVVUFHAVZGP-NHAGDIPZSA-N 0 3 391.457 -1.038 20 0 GAADHN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001579427806 1075622932 /nfs/dbraw/zinc/62/29/32/1075622932.db2.gz QUMBVVUFHAVZGP-NHAGDIPZSA-N 0 3 391.457 -1.038 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579428126 1075624970 /nfs/dbraw/zinc/62/49/70/1075624970.db2.gz CKYOCZZMZFJAFS-JTQLQIEISA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579428126 1075624968 /nfs/dbraw/zinc/62/49/68/1075624968.db2.gz CKYOCZZMZFJAFS-JTQLQIEISA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579428458 1075626125 /nfs/dbraw/zinc/62/61/25/1075626125.db2.gz MRTALOSIZCJAID-JTQLQIEISA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579428458 1075626123 /nfs/dbraw/zinc/62/61/23/1075626123.db2.gz MRTALOSIZCJAID-JTQLQIEISA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579428460 1075626282 /nfs/dbraw/zinc/62/62/82/1075626282.db2.gz MRTALOSIZCJAID-SNVBAGLBSA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579428460 1075626281 /nfs/dbraw/zinc/62/62/81/1075626281.db2.gz MRTALOSIZCJAID-SNVBAGLBSA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001579428594 1075626662 /nfs/dbraw/zinc/62/66/62/1075626662.db2.gz QLMNLYJXMBGFSX-UHFFFAOYSA-N 0 3 382.450 -1.532 20 0 GAADHN CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001579428594 1075626660 /nfs/dbraw/zinc/62/66/60/1075626660.db2.gz QLMNLYJXMBGFSX-UHFFFAOYSA-N 0 3 382.450 -1.532 20 0 GAADHN CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579428700 1075627082 /nfs/dbraw/zinc/62/70/82/1075627082.db2.gz SXWZMXICTRTSOU-JTQLQIEISA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579428701 1075626952 /nfs/dbraw/zinc/62/69/52/1075626952.db2.gz SXWZMXICTRTSOU-SNVBAGLBSA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001579428949 1075627518 /nfs/dbraw/zinc/62/75/18/1075627518.db2.gz XKAQYLCDSZUGOR-UHFFFAOYSA-N 0 3 382.450 -1.532 20 0 GAADHN CNS(=O)(=O)NCC(=O)NCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001579428949 1075627515 /nfs/dbraw/zinc/62/75/15/1075627515.db2.gz XKAQYLCDSZUGOR-UHFFFAOYSA-N 0 3 382.450 -1.532 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579429080 1075627463 /nfs/dbraw/zinc/62/74/63/1075627463.db2.gz ZAFHXJSOVJZSQH-JTQLQIEISA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579429080 1075627459 /nfs/dbraw/zinc/62/74/59/1075627459.db2.gz ZAFHXJSOVJZSQH-JTQLQIEISA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001579429081 1075627442 /nfs/dbraw/zinc/62/74/42/1075627442.db2.gz ZAFHXJSOVJZSQH-SNVBAGLBSA-N 0 3 382.450 -1.485 20 0 GAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001579429081 1075627440 /nfs/dbraw/zinc/62/74/40/1075627440.db2.gz ZAFHXJSOVJZSQH-SNVBAGLBSA-N 0 3 382.450 -1.485 20 0 GAADHN COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001579461014 1075632191 /nfs/dbraw/zinc/63/21/91/1075632191.db2.gz AMMPQMUBLULLEJ-JTQLQIEISA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001579461021 1075632196 /nfs/dbraw/zinc/63/21/96/1075632196.db2.gz AMMPQMUBLULLEJ-SNVBAGLBSA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001579461380 1075632640 /nfs/dbraw/zinc/63/26/40/1075632640.db2.gz FZZYJERYHDYFSP-JTQLQIEISA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001579461381 1075632508 /nfs/dbraw/zinc/63/25/08/1075632508.db2.gz FZZYJERYHDYFSP-SNVBAGLBSA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001579461628 1075632849 /nfs/dbraw/zinc/63/28/49/1075632849.db2.gz KDDNIOFYYVNRQA-JTQLQIEISA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001579461628 1075632847 /nfs/dbraw/zinc/63/28/47/1075632847.db2.gz KDDNIOFYYVNRQA-JTQLQIEISA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001579461629 1075632865 /nfs/dbraw/zinc/63/28/65/1075632865.db2.gz KDDNIOFYYVNRQA-SNVBAGLBSA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001579461629 1075632862 /nfs/dbraw/zinc/63/28/62/1075632862.db2.gz KDDNIOFYYVNRQA-SNVBAGLBSA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001579462254 1075633620 /nfs/dbraw/zinc/63/36/20/1075633620.db2.gz ZEWWVLPFUWLLIM-LLVKDONJSA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001579462254 1075633618 /nfs/dbraw/zinc/63/36/18/1075633618.db2.gz ZEWWVLPFUWLLIM-LLVKDONJSA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001579462255 1075633533 /nfs/dbraw/zinc/63/35/33/1075633533.db2.gz ZEWWVLPFUWLLIM-NSHDSACASA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001579462255 1075633529 /nfs/dbraw/zinc/63/35/29/1075633529.db2.gz ZEWWVLPFUWLLIM-NSHDSACASA-N 0 3 381.368 -1.072 20 0 GAADHN COC(=O)NCC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001579463031 1075634414 /nfs/dbraw/zinc/63/44/14/1075634414.db2.gz QEKUIARQXXPMFC-UHFFFAOYSA-N 0 3 389.420 -1.144 20 0 GAADHN COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579698772 1075656005 /nfs/dbraw/zinc/65/60/05/1075656005.db2.gz FSGJVFYHRWDVNT-BLLLJJGKSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579698773 1075655956 /nfs/dbraw/zinc/65/59/56/1075655956.db2.gz FSGJVFYHRWDVNT-LRDDRELGSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579698774 1075655983 /nfs/dbraw/zinc/65/59/83/1075655983.db2.gz FSGJVFYHRWDVNT-MLGOLLRUSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579698775 1075656019 /nfs/dbraw/zinc/65/60/19/1075656019.db2.gz FSGJVFYHRWDVNT-WBMJQRKESA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579698914 1075655942 /nfs/dbraw/zinc/65/59/42/1075655942.db2.gz GMJUXWMWICJICX-BDJLRTHQSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579698915 1075655988 /nfs/dbraw/zinc/65/59/88/1075655988.db2.gz GMJUXWMWICJICX-BZNIZROVSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579698916 1075656016 /nfs/dbraw/zinc/65/60/16/1075656016.db2.gz GMJUXWMWICJICX-MEDUHNTESA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579698917 1075655968 /nfs/dbraw/zinc/65/59/68/1075655968.db2.gz GMJUXWMWICJICX-ZBEGNZNMSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579699112 1075656408 /nfs/dbraw/zinc/65/64/08/1075656408.db2.gz FADQXLBETJKMQE-GFCCVEGCSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001579699112 1075656404 /nfs/dbraw/zinc/65/64/04/1075656404.db2.gz FADQXLBETJKMQE-GFCCVEGCSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579699114 1075656380 /nfs/dbraw/zinc/65/63/80/1075656380.db2.gz FADQXLBETJKMQE-LBPRGKRZSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001579699114 1075656376 /nfs/dbraw/zinc/65/63/76/1075656376.db2.gz FADQXLBETJKMQE-LBPRGKRZSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579699120 1075656291 /nfs/dbraw/zinc/65/62/91/1075656291.db2.gz FBZSJPQKJDINRV-AWEZNQCLSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001579699120 1075656288 /nfs/dbraw/zinc/65/62/88/1075656288.db2.gz FBZSJPQKJDINRV-AWEZNQCLSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579699122 1075656276 /nfs/dbraw/zinc/65/62/76/1075656276.db2.gz FBZSJPQKJDINRV-CQSZACIVSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001579699122 1075656267 /nfs/dbraw/zinc/65/62/67/1075656267.db2.gz FBZSJPQKJDINRV-CQSZACIVSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579699740 1075656236 /nfs/dbraw/zinc/65/62/36/1075656236.db2.gz JQCYFSSPFNNPSP-AWEZNQCLSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579699740 1075656227 /nfs/dbraw/zinc/65/62/27/1075656227.db2.gz JQCYFSSPFNNPSP-AWEZNQCLSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579699741 1075656697 /nfs/dbraw/zinc/65/66/97/1075656697.db2.gz JQCYFSSPFNNPSP-CQSZACIVSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579699741 1075656695 /nfs/dbraw/zinc/65/66/95/1075656695.db2.gz JQCYFSSPFNNPSP-CQSZACIVSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579700098 1075656765 /nfs/dbraw/zinc/65/67/65/1075656765.db2.gz OCNOMWNBGYAZGU-BLLLJJGKSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579700098 1075656763 /nfs/dbraw/zinc/65/67/63/1075656763.db2.gz OCNOMWNBGYAZGU-BLLLJJGKSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579700099 1075657204 /nfs/dbraw/zinc/65/72/04/1075657204.db2.gz OCNOMWNBGYAZGU-LRDDRELGSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579700099 1075657202 /nfs/dbraw/zinc/65/72/02/1075657202.db2.gz OCNOMWNBGYAZGU-LRDDRELGSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579700100 1075657191 /nfs/dbraw/zinc/65/71/91/1075657191.db2.gz OCNOMWNBGYAZGU-MLGOLLRUSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579700100 1075657189 /nfs/dbraw/zinc/65/71/89/1075657189.db2.gz OCNOMWNBGYAZGU-MLGOLLRUSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579700101 1075657224 /nfs/dbraw/zinc/65/72/24/1075657224.db2.gz OCNOMWNBGYAZGU-WBMJQRKESA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579700101 1075657222 /nfs/dbraw/zinc/65/72/22/1075657222.db2.gz OCNOMWNBGYAZGU-WBMJQRKESA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579701081 1075657522 /nfs/dbraw/zinc/65/75/22/1075657522.db2.gz UDVNJTNJWLRUQX-LLVKDONJSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579701081 1075657519 /nfs/dbraw/zinc/65/75/19/1075657519.db2.gz UDVNJTNJWLRUQX-LLVKDONJSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579701083 1075657556 /nfs/dbraw/zinc/65/75/56/1075657556.db2.gz UDVNJTNJWLRUQX-NSHDSACASA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579701083 1075657554 /nfs/dbraw/zinc/65/75/54/1075657554.db2.gz UDVNJTNJWLRUQX-NSHDSACASA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579702078 1075658011 /nfs/dbraw/zinc/65/80/11/1075658011.db2.gz ZAGYBGGQEPWGDX-CYBMUJFWSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579702078 1075658007 /nfs/dbraw/zinc/65/80/07/1075658007.db2.gz ZAGYBGGQEPWGDX-CYBMUJFWSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001579702080 1075658102 /nfs/dbraw/zinc/65/81/02/1075658102.db2.gz ZAGYBGGQEPWGDX-ZDUSSCGKSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001579702080 1075658099 /nfs/dbraw/zinc/65/80/99/1075658099.db2.gz ZAGYBGGQEPWGDX-ZDUSSCGKSA-N 0 3 392.464 -1.014 20 0 GAADHN COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579702134 1075658073 /nfs/dbraw/zinc/65/80/73/1075658073.db2.gz ZRAPOQNCNIBKME-GFCCVEGCSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579702134 1075658071 /nfs/dbraw/zinc/65/80/71/1075658071.db2.gz ZRAPOQNCNIBKME-GFCCVEGCSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579702135 1075658026 /nfs/dbraw/zinc/65/80/26/1075658026.db2.gz ZRAPOQNCNIBKME-LBPRGKRZSA-N 0 3 379.421 -1.241 20 0 GAADHN COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579702135 1075658023 /nfs/dbraw/zinc/65/80/23/1075658023.db2.gz ZRAPOQNCNIBKME-LBPRGKRZSA-N 0 3 379.421 -1.241 20 0 GAADHN CO[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001579860413 1075680044 /nfs/dbraw/zinc/68/00/44/1075680044.db2.gz HEPZCFJATOLFFE-BPLDGKMQSA-N 0 3 388.432 -1.088 20 0 GAADHN CO[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001579860414 1075680113 /nfs/dbraw/zinc/68/01/13/1075680113.db2.gz HEPZCFJATOLFFE-YUELXQCFSA-N 0 3 388.432 -1.088 20 0 GAADHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001579887594 1075685701 /nfs/dbraw/zinc/68/57/01/1075685701.db2.gz VPGYIFUJKLRPST-GHMZBOCLSA-N 0 3 375.389 -1.227 20 0 GAADHN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001579887595 1075685655 /nfs/dbraw/zinc/68/56/55/1075685655.db2.gz VPGYIFUJKLRPST-PHIMTYICSA-N 0 3 375.389 -1.227 20 0 GAADHN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001579887595 1075685653 /nfs/dbraw/zinc/68/56/53/1075685653.db2.gz VPGYIFUJKLRPST-PHIMTYICSA-N 0 3 375.389 -1.227 20 0 GAADHN COc1cc(-c2nn[n-]n2)ccc1OCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001579887596 1075685693 /nfs/dbraw/zinc/68/56/93/1075685693.db2.gz VPGYIFUJKLRPST-QWRGUYRKSA-N 0 3 375.389 -1.227 20 0 GAADHN Cc1nnc(N2C[C@@H]3[C@@H](N)CS(=O)(=O)[C@@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001579902957 1075685975 /nfs/dbraw/zinc/68/59/75/1075685975.db2.gz MNBSPDKPHKBGCG-HZSPNIEDSA-N 0 3 398.489 -1.604 20 0 GAADHN Cc1nnc(N2C[C@H]3[C@H](C2)S(=O)(=O)C[C@H]3N)n1CCC(=O)N1CCOCC1 ZINC001579902958 1075686133 /nfs/dbraw/zinc/68/61/33/1075686133.db2.gz MNBSPDKPHKBGCG-MCIONIFRSA-N 0 3 398.489 -1.604 20 0 GAADHN Cc1nnc(N2C[C@@H]3[C@H](N)CS(=O)(=O)[C@@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001579902959 1075686624 /nfs/dbraw/zinc/68/66/24/1075686624.db2.gz MNBSPDKPHKBGCG-MGPQQGTHSA-N 0 3 398.489 -1.604 20 0 GAADHN Cc1nnc(N2C[C@@H]3[C@@H](N)CS(=O)(=O)[C@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001579902960 1075686468 /nfs/dbraw/zinc/68/64/68/1075686468.db2.gz MNBSPDKPHKBGCG-RDBSUJKOSA-N 0 3 398.489 -1.604 20 0 GAADHN COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)CN1CCNC(=O)C1 ZINC001579962740 1075688685 /nfs/dbraw/zinc/68/86/85/1075688685.db2.gz SCJKCGSVMSQXLE-UHFFFAOYSA-N 0 3 388.432 -1.487 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)cc1-c1nn[n-]n1 ZINC001580021275 1075689952 /nfs/dbraw/zinc/68/99/52/1075689952.db2.gz ALODFNRBRBBWDB-LLVKDONJSA-N 0 3 388.392 -1.871 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)cc1-c1nnn[n-]1 ZINC001580021275 1075689948 /nfs/dbraw/zinc/68/99/48/1075689948.db2.gz ALODFNRBRBBWDB-LLVKDONJSA-N 0 3 388.392 -1.871 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)cc1-c1nn[n-]n1 ZINC001580021276 1075689964 /nfs/dbraw/zinc/68/99/64/1075689964.db2.gz ALODFNRBRBBWDB-NSHDSACASA-N 0 3 388.392 -1.871 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)cc1-c1nnn[n-]1 ZINC001580021276 1075689960 /nfs/dbraw/zinc/68/99/60/1075689960.db2.gz ALODFNRBRBBWDB-NSHDSACASA-N 0 3 388.392 -1.871 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc1-c1nn[n-]n1 ZINC001580021586 1075689934 /nfs/dbraw/zinc/68/99/34/1075689934.db2.gz DRHMVJLGNLMMKK-CMPLNLGQSA-N 0 3 390.404 -1.877 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc1-c1nnn[n-]1 ZINC001580021586 1075689928 /nfs/dbraw/zinc/68/99/28/1075689928.db2.gz DRHMVJLGNLMMKK-CMPLNLGQSA-N 0 3 390.404 -1.877 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc1-c1nn[n-]n1 ZINC001580021587 1075690221 /nfs/dbraw/zinc/69/02/21/1075690221.db2.gz DRHMVJLGNLMMKK-JQWIXIFHSA-N 0 3 390.404 -1.877 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc1-c1nnn[n-]1 ZINC001580021587 1075690216 /nfs/dbraw/zinc/69/02/16/1075690216.db2.gz DRHMVJLGNLMMKK-JQWIXIFHSA-N 0 3 390.404 -1.877 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc1-c1nn[n-]n1 ZINC001580021588 1075690199 /nfs/dbraw/zinc/69/01/99/1075690199.db2.gz DRHMVJLGNLMMKK-PWSUYJOCSA-N 0 3 390.404 -1.877 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc1-c1nnn[n-]1 ZINC001580021588 1075690195 /nfs/dbraw/zinc/69/01/95/1075690195.db2.gz DRHMVJLGNLMMKK-PWSUYJOCSA-N 0 3 390.404 -1.877 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc1-c1nn[n-]n1 ZINC001580021589 1075690188 /nfs/dbraw/zinc/69/01/88/1075690188.db2.gz DRHMVJLGNLMMKK-ZYHUDNBSSA-N 0 3 390.404 -1.877 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc1-c1nnn[n-]1 ZINC001580021589 1075690185 /nfs/dbraw/zinc/69/01/85/1075690185.db2.gz DRHMVJLGNLMMKK-ZYHUDNBSSA-N 0 3 390.404 -1.877 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)cc1-c1nn[n-]n1 ZINC001580021629 1075690324 /nfs/dbraw/zinc/69/03/24/1075690324.db2.gz FUPKPAPWFWJUOF-LLVKDONJSA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)cc1-c1nnn[n-]1 ZINC001580021629 1075690319 /nfs/dbraw/zinc/69/03/19/1075690319.db2.gz FUPKPAPWFWJUOF-LLVKDONJSA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)cc1-c1nn[n-]n1 ZINC001580021630 1075690270 /nfs/dbraw/zinc/69/02/70/1075690270.db2.gz FUPKPAPWFWJUOF-NSHDSACASA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)cc1-c1nnn[n-]1 ZINC001580021630 1075690267 /nfs/dbraw/zinc/69/02/67/1075690267.db2.gz FUPKPAPWFWJUOF-NSHDSACASA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)cc1-c1nn[n-]n1 ZINC001580021829 1075690285 /nfs/dbraw/zinc/69/02/85/1075690285.db2.gz GQRIMQHIFSAACL-GFCCVEGCSA-N 0 3 387.404 -1.266 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)cc1-c1nnn[n-]1 ZINC001580021829 1075690281 /nfs/dbraw/zinc/69/02/81/1075690281.db2.gz GQRIMQHIFSAACL-GFCCVEGCSA-N 0 3 387.404 -1.266 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)cc1-c1nn[n-]n1 ZINC001580021831 1075690155 /nfs/dbraw/zinc/69/01/55/1075690155.db2.gz GQRIMQHIFSAACL-LBPRGKRZSA-N 0 3 387.404 -1.266 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)cc1-c1nnn[n-]1 ZINC001580021831 1075690153 /nfs/dbraw/zinc/69/01/53/1075690153.db2.gz GQRIMQHIFSAACL-LBPRGKRZSA-N 0 3 387.404 -1.266 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)cc1-c1nn[n-]n1 ZINC001580021924 1075690307 /nfs/dbraw/zinc/69/03/07/1075690307.db2.gz IDSMCFOAPZDFBV-LLVKDONJSA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)cc1-c1nnn[n-]1 ZINC001580021924 1075690303 /nfs/dbraw/zinc/69/03/03/1075690303.db2.gz IDSMCFOAPZDFBV-LLVKDONJSA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)cc1-c1nn[n-]n1 ZINC001580021925 1075690335 /nfs/dbraw/zinc/69/03/35/1075690335.db2.gz IDSMCFOAPZDFBV-NSHDSACASA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)cc1-c1nnn[n-]1 ZINC001580021925 1075690332 /nfs/dbraw/zinc/69/03/32/1075690332.db2.gz IDSMCFOAPZDFBV-NSHDSACASA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O)cc1-c1nn[n-]n1 ZINC001580022065 1075690249 /nfs/dbraw/zinc/69/02/49/1075690249.db2.gz JBWKJAVPZQIIJR-CYBMUJFWSA-N 0 3 391.432 -1.080 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O)cc1-c1nnn[n-]1 ZINC001580022065 1075690244 /nfs/dbraw/zinc/69/02/44/1075690244.db2.gz JBWKJAVPZQIIJR-CYBMUJFWSA-N 0 3 391.432 -1.080 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O)cc1-c1nn[n-]n1 ZINC001580022066 1075690150 /nfs/dbraw/zinc/69/01/50/1075690150.db2.gz JBWKJAVPZQIIJR-ZDUSSCGKSA-N 0 3 391.432 -1.080 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O)cc1-c1nnn[n-]1 ZINC001580022066 1075690149 /nfs/dbraw/zinc/69/01/49/1075690149.db2.gz JBWKJAVPZQIIJR-ZDUSSCGKSA-N 0 3 391.432 -1.080 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)cc1-c1nn[n-]n1 ZINC001580022162 1075690164 /nfs/dbraw/zinc/69/01/64/1075690164.db2.gz KJQFPMUFAFNFBS-GFCCVEGCSA-N 0 3 377.405 -1.422 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)cc1-c1nnn[n-]1 ZINC001580022162 1075690163 /nfs/dbraw/zinc/69/01/63/1075690163.db2.gz KJQFPMUFAFNFBS-GFCCVEGCSA-N 0 3 377.405 -1.422 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)cc1-c1nn[n-]n1 ZINC001580022164 1075690171 /nfs/dbraw/zinc/69/01/71/1075690171.db2.gz KJQFPMUFAFNFBS-LBPRGKRZSA-N 0 3 377.405 -1.422 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)cc1-c1nnn[n-]1 ZINC001580022164 1075690170 /nfs/dbraw/zinc/69/01/70/1075690170.db2.gz KJQFPMUFAFNFBS-LBPRGKRZSA-N 0 3 377.405 -1.422 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1-c1nn[n-]n1 ZINC001580022313 1075690145 /nfs/dbraw/zinc/69/01/45/1075690145.db2.gz MJUGUJGSYCACCU-CMPLNLGQSA-N 0 3 391.388 -1.450 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1-c1nnn[n-]1 ZINC001580022313 1075690142 /nfs/dbraw/zinc/69/01/42/1075690142.db2.gz MJUGUJGSYCACCU-CMPLNLGQSA-N 0 3 391.388 -1.450 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc1-c1nn[n-]n1 ZINC001580022314 1075690209 /nfs/dbraw/zinc/69/02/09/1075690209.db2.gz MJUGUJGSYCACCU-JQWIXIFHSA-N 0 3 391.388 -1.450 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc1-c1nnn[n-]1 ZINC001580022314 1075690206 /nfs/dbraw/zinc/69/02/06/1075690206.db2.gz MJUGUJGSYCACCU-JQWIXIFHSA-N 0 3 391.388 -1.450 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc1-c1nn[n-]n1 ZINC001580022315 1075690351 /nfs/dbraw/zinc/69/03/51/1075690351.db2.gz MJUGUJGSYCACCU-PWSUYJOCSA-N 0 3 391.388 -1.450 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc1-c1nnn[n-]1 ZINC001580022315 1075690348 /nfs/dbraw/zinc/69/03/48/1075690348.db2.gz MJUGUJGSYCACCU-PWSUYJOCSA-N 0 3 391.388 -1.450 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1-c1nn[n-]n1 ZINC001580022317 1075690342 /nfs/dbraw/zinc/69/03/42/1075690342.db2.gz MJUGUJGSYCACCU-ZYHUDNBSSA-N 0 3 391.388 -1.450 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1-c1nnn[n-]1 ZINC001580022317 1075690340 /nfs/dbraw/zinc/69/03/40/1075690340.db2.gz MJUGUJGSYCACCU-ZYHUDNBSSA-N 0 3 391.388 -1.450 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O)cc1-c1nn[n-]n1 ZINC001580022486 1075690234 /nfs/dbraw/zinc/69/02/34/1075690234.db2.gz OMKUXRRGBCJAFA-GWCFXTLKSA-N 0 3 391.432 -1.033 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O)cc1-c1nnn[n-]1 ZINC001580022486 1075690230 /nfs/dbraw/zinc/69/02/30/1075690230.db2.gz OMKUXRRGBCJAFA-GWCFXTLKSA-N 0 3 391.432 -1.033 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O)cc1-c1nn[n-]n1 ZINC001580022487 1075690179 /nfs/dbraw/zinc/69/01/79/1075690179.db2.gz OMKUXRRGBCJAFA-GXFFZTMASA-N 0 3 391.432 -1.033 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O)cc1-c1nnn[n-]1 ZINC001580022487 1075690177 /nfs/dbraw/zinc/69/01/77/1075690177.db2.gz OMKUXRRGBCJAFA-GXFFZTMASA-N 0 3 391.432 -1.033 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O)cc1-c1nn[n-]n1 ZINC001580022488 1075690295 /nfs/dbraw/zinc/69/02/95/1075690295.db2.gz OMKUXRRGBCJAFA-MFKMUULPSA-N 0 3 391.432 -1.033 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O)cc1-c1nnn[n-]1 ZINC001580022488 1075690292 /nfs/dbraw/zinc/69/02/92/1075690292.db2.gz OMKUXRRGBCJAFA-MFKMUULPSA-N 0 3 391.432 -1.033 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O)cc1-c1nn[n-]n1 ZINC001580022489 1075690633 /nfs/dbraw/zinc/69/06/33/1075690633.db2.gz OMKUXRRGBCJAFA-ZWNOBZJWSA-N 0 3 391.432 -1.033 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O)cc1-c1nnn[n-]1 ZINC001580022489 1075690632 /nfs/dbraw/zinc/69/06/32/1075690632.db2.gz OMKUXRRGBCJAFA-ZWNOBZJWSA-N 0 3 391.432 -1.033 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)cc1-c1nn[n-]n1 ZINC001580022701 1075690594 /nfs/dbraw/zinc/69/05/94/1075690594.db2.gz RBTVZXDYGXDVAD-LLVKDONJSA-N 0 3 388.392 -1.871 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)cc1-c1nnn[n-]1 ZINC001580022701 1075690592 /nfs/dbraw/zinc/69/05/92/1075690592.db2.gz RBTVZXDYGXDVAD-LLVKDONJSA-N 0 3 388.392 -1.871 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)cc1-c1nn[n-]n1 ZINC001580022702 1075690601 /nfs/dbraw/zinc/69/06/01/1075690601.db2.gz RBTVZXDYGXDVAD-NSHDSACASA-N 0 3 388.392 -1.871 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)cc1-c1nnn[n-]1 ZINC001580022702 1075690598 /nfs/dbraw/zinc/69/05/98/1075690598.db2.gz RBTVZXDYGXDVAD-NSHDSACASA-N 0 3 388.392 -1.871 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc1-c1nn[n-]n1 ZINC001580022746 1075690643 /nfs/dbraw/zinc/69/06/43/1075690643.db2.gz ROXVYUILZQBGKH-AAEUAGOBSA-N 0 3 389.416 -1.279 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc1-c1nnn[n-]1 ZINC001580022746 1075690642 /nfs/dbraw/zinc/69/06/42/1075690642.db2.gz ROXVYUILZQBGKH-AAEUAGOBSA-N 0 3 389.416 -1.279 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc1-c1nn[n-]n1 ZINC001580022748 1075690606 /nfs/dbraw/zinc/69/06/06/1075690606.db2.gz ROXVYUILZQBGKH-DGCLKSJQSA-N 0 3 389.416 -1.279 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc1-c1nnn[n-]1 ZINC001580022748 1075690605 /nfs/dbraw/zinc/69/06/05/1075690605.db2.gz ROXVYUILZQBGKH-DGCLKSJQSA-N 0 3 389.416 -1.279 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc1-c1nn[n-]n1 ZINC001580022750 1075690669 /nfs/dbraw/zinc/69/06/69/1075690669.db2.gz ROXVYUILZQBGKH-WCQYABFASA-N 0 3 389.416 -1.279 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc1-c1nnn[n-]1 ZINC001580022750 1075690667 /nfs/dbraw/zinc/69/06/67/1075690667.db2.gz ROXVYUILZQBGKH-WCQYABFASA-N 0 3 389.416 -1.279 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc1-c1nn[n-]n1 ZINC001580022752 1075690658 /nfs/dbraw/zinc/69/06/58/1075690658.db2.gz ROXVYUILZQBGKH-YPMHNXCESA-N 0 3 389.416 -1.279 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc1-c1nnn[n-]1 ZINC001580022752 1075690657 /nfs/dbraw/zinc/69/06/57/1075690657.db2.gz ROXVYUILZQBGKH-YPMHNXCESA-N 0 3 389.416 -1.279 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)cc1-c1nn[n-]n1 ZINC001580022980 1075690648 /nfs/dbraw/zinc/69/06/48/1075690648.db2.gz UOPRMYMGIUAVOR-LLVKDONJSA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)cc1-c1nnn[n-]1 ZINC001580022980 1075690647 /nfs/dbraw/zinc/69/06/47/1075690647.db2.gz UOPRMYMGIUAVOR-LLVKDONJSA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)cc1-c1nn[n-]n1 ZINC001580022981 1075690588 /nfs/dbraw/zinc/69/05/88/1075690588.db2.gz UOPRMYMGIUAVOR-NSHDSACASA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)cc1-c1nnn[n-]1 ZINC001580022981 1075690585 /nfs/dbraw/zinc/69/05/85/1075690585.db2.gz UOPRMYMGIUAVOR-NSHDSACASA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)cc1-c1nn[n-]n1 ZINC001580023016 1075690630 /nfs/dbraw/zinc/69/06/30/1075690630.db2.gz VAWTYASEALDRPZ-JTQLQIEISA-N 0 3 388.392 -1.721 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)cc1-c1nnn[n-]1 ZINC001580023016 1075690629 /nfs/dbraw/zinc/69/06/29/1075690629.db2.gz VAWTYASEALDRPZ-JTQLQIEISA-N 0 3 388.392 -1.721 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)cc1-c1nn[n-]n1 ZINC001580023017 1075690625 /nfs/dbraw/zinc/69/06/25/1075690625.db2.gz VAWTYASEALDRPZ-SNVBAGLBSA-N 0 3 388.392 -1.721 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)cc1-c1nnn[n-]1 ZINC001580023017 1075690624 /nfs/dbraw/zinc/69/06/24/1075690624.db2.gz VAWTYASEALDRPZ-SNVBAGLBSA-N 0 3 388.392 -1.721 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)cc1-c1nn[n-]n1 ZINC001580023034 1075690680 /nfs/dbraw/zinc/69/06/80/1075690680.db2.gz VMYBVBYWHKJXOV-LLVKDONJSA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)cc1-c1nnn[n-]1 ZINC001580023034 1075690678 /nfs/dbraw/zinc/69/06/78/1075690678.db2.gz VMYBVBYWHKJXOV-LLVKDONJSA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)cc1-c1nn[n-]n1 ZINC001580023035 1075690574 /nfs/dbraw/zinc/69/05/74/1075690574.db2.gz VMYBVBYWHKJXOV-NSHDSACASA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)cc1-c1nnn[n-]1 ZINC001580023035 1075690572 /nfs/dbraw/zinc/69/05/72/1075690572.db2.gz VMYBVBYWHKJXOV-NSHDSACASA-N 0 3 387.404 -1.116 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COCCO2)cc1-c1nn[n-]n1 ZINC001580023046 1075690581 /nfs/dbraw/zinc/69/05/81/1075690581.db2.gz VSSUSTPNTXVJRW-DOMZBBRYSA-N 0 3 392.416 -1.143 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COCCO2)cc1-c1nnn[n-]1 ZINC001580023046 1075690579 /nfs/dbraw/zinc/69/05/79/1075690579.db2.gz VSSUSTPNTXVJRW-DOMZBBRYSA-N 0 3 392.416 -1.143 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COCCO2)cc1-c1nn[n-]n1 ZINC001580023047 1075690638 /nfs/dbraw/zinc/69/06/38/1075690638.db2.gz VSSUSTPNTXVJRW-IUODEOHRSA-N 0 3 392.416 -1.143 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COCCO2)cc1-c1nnn[n-]1 ZINC001580023047 1075690637 /nfs/dbraw/zinc/69/06/37/1075690637.db2.gz VSSUSTPNTXVJRW-IUODEOHRSA-N 0 3 392.416 -1.143 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COCCO2)cc1-c1nn[n-]n1 ZINC001580023048 1075690675 /nfs/dbraw/zinc/69/06/75/1075690675.db2.gz VSSUSTPNTXVJRW-SWLSCSKDSA-N 0 3 392.416 -1.143 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COCCO2)cc1-c1nnn[n-]1 ZINC001580023048 1075690673 /nfs/dbraw/zinc/69/06/73/1075690673.db2.gz VSSUSTPNTXVJRW-SWLSCSKDSA-N 0 3 392.416 -1.143 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COCCO2)cc1-c1nn[n-]n1 ZINC001580023049 1075690613 /nfs/dbraw/zinc/69/06/13/1075690613.db2.gz VSSUSTPNTXVJRW-WFASDCNBSA-N 0 3 392.416 -1.143 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COCCO2)cc1-c1nnn[n-]1 ZINC001580023049 1075690611 /nfs/dbraw/zinc/69/06/11/1075690611.db2.gz VSSUSTPNTXVJRW-WFASDCNBSA-N 0 3 392.416 -1.143 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC001580023093 1075690620 /nfs/dbraw/zinc/69/06/20/1075690620.db2.gz WWQHENJSRWXLMN-TUAOUCFPSA-N 0 3 389.416 -1.437 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nnn[n-]1 ZINC001580023093 1075690619 /nfs/dbraw/zinc/69/06/19/1075690619.db2.gz WWQHENJSRWXLMN-TUAOUCFPSA-N 0 3 389.416 -1.437 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC001580023094 1075690663 /nfs/dbraw/zinc/69/06/63/1075690663.db2.gz WWQHENJSRWXLMN-UTUOFQBUSA-N 0 3 389.416 -1.437 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nnn[n-]1 ZINC001580023094 1075690662 /nfs/dbraw/zinc/69/06/62/1075690662.db2.gz WWQHENJSRWXLMN-UTUOFQBUSA-N 0 3 389.416 -1.437 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O)cc1-c1nn[n-]n1 ZINC001580023135 1075690654 /nfs/dbraw/zinc/69/06/54/1075690654.db2.gz XTDIJIMOJJZXNN-CYBMUJFWSA-N 0 3 391.432 -1.080 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O)cc1-c1nnn[n-]1 ZINC001580023135 1075690651 /nfs/dbraw/zinc/69/06/51/1075690651.db2.gz XTDIJIMOJJZXNN-CYBMUJFWSA-N 0 3 391.432 -1.080 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O)cc1-c1nn[n-]n1 ZINC001580023136 1075691087 /nfs/dbraw/zinc/69/10/87/1075691087.db2.gz XTDIJIMOJJZXNN-ZDUSSCGKSA-N 0 3 391.432 -1.080 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O)cc1-c1nnn[n-]1 ZINC001580023136 1075691086 /nfs/dbraw/zinc/69/10/86/1075691086.db2.gz XTDIJIMOJJZXNN-ZDUSSCGKSA-N 0 3 391.432 -1.080 20 0 GAADHN CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001580155928 1075694915 /nfs/dbraw/zinc/69/49/15/1075694915.db2.gz HJIYJXSUCIYVPU-JTQLQIEISA-N 0 3 386.409 -1.383 20 0 GAADHN CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001580155929 1075694851 /nfs/dbraw/zinc/69/48/51/1075694851.db2.gz HJIYJXSUCIYVPU-SNVBAGLBSA-N 0 3 386.409 -1.383 20 0 GAADHN NC1(Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)COC1 ZINC001580158343 1075697882 /nfs/dbraw/zinc/69/78/82/1075697882.db2.gz WXVLDCJOHYERML-UHFFFAOYSA-N 0 3 384.462 -1.637 20 0 GAADHN CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580161530 1075700238 /nfs/dbraw/zinc/70/02/38/1075700238.db2.gz ASQBQQQFAKPCNL-GFCCVEGCSA-N 0 3 382.446 -1.132 20 0 GAADHN CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580161530 1075700232 /nfs/dbraw/zinc/70/02/32/1075700232.db2.gz ASQBQQQFAKPCNL-GFCCVEGCSA-N 0 3 382.446 -1.132 20 0 GAADHN CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580161532 1075700313 /nfs/dbraw/zinc/70/03/13/1075700313.db2.gz ASQBQQQFAKPCNL-LBPRGKRZSA-N 0 3 382.446 -1.132 20 0 GAADHN CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580161532 1075700306 /nfs/dbraw/zinc/70/03/06/1075700306.db2.gz ASQBQQQFAKPCNL-LBPRGKRZSA-N 0 3 382.446 -1.132 20 0 GAADHN CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001580161756 1075700833 /nfs/dbraw/zinc/70/08/33/1075700833.db2.gz GQZUOKVOVIXEAP-CYBMUJFWSA-N 0 3 382.446 -1.132 20 0 GAADHN CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001580161757 1075700854 /nfs/dbraw/zinc/70/08/54/1075700854.db2.gz GQZUOKVOVIXEAP-ZDUSSCGKSA-N 0 3 382.446 -1.132 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001580167459 1075703266 /nfs/dbraw/zinc/70/32/66/1075703266.db2.gz CJXBGPSARDJPAE-GFCCVEGCSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001580167460 1075703217 /nfs/dbraw/zinc/70/32/17/1075703217.db2.gz CJXBGPSARDJPAE-LBPRGKRZSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001580167478 1075703554 /nfs/dbraw/zinc/70/35/54/1075703554.db2.gz DANOQYRUQLAOJH-JTQLQIEISA-N 0 3 382.450 -1.204 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001580167478 1075703548 /nfs/dbraw/zinc/70/35/48/1075703548.db2.gz DANOQYRUQLAOJH-JTQLQIEISA-N 0 3 382.450 -1.204 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001580167479 1075703449 /nfs/dbraw/zinc/70/34/49/1075703449.db2.gz DANOQYRUQLAOJH-SNVBAGLBSA-N 0 3 382.450 -1.204 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001580167479 1075703446 /nfs/dbraw/zinc/70/34/46/1075703446.db2.gz DANOQYRUQLAOJH-SNVBAGLBSA-N 0 3 382.450 -1.204 20 0 GAADHN C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001580252028 1075706418 /nfs/dbraw/zinc/70/64/18/1075706418.db2.gz KQUCIRDKNCANRB-JTQLQIEISA-N 0 3 389.420 -1.749 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001580270426 1075706871 /nfs/dbraw/zinc/70/68/71/1075706871.db2.gz CDAXRCICIOZHFW-JQWIXIFHSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001580270426 1075706866 /nfs/dbraw/zinc/70/68/66/1075706866.db2.gz CDAXRCICIOZHFW-JQWIXIFHSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001580271226 1075706968 /nfs/dbraw/zinc/70/69/68/1075706968.db2.gz JTPSBOXKAPTWLU-JQWIXIFHSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001580271226 1075706964 /nfs/dbraw/zinc/70/69/64/1075706964.db2.gz JTPSBOXKAPTWLU-JQWIXIFHSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580274310 1075706789 /nfs/dbraw/zinc/70/67/89/1075706789.db2.gz POGDLXYCWSJKSJ-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580274310 1075706783 /nfs/dbraw/zinc/70/67/83/1075706783.db2.gz POGDLXYCWSJKSJ-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580274316 1075706925 /nfs/dbraw/zinc/70/69/25/1075706925.db2.gz PXRVVPJEYAQQMR-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580274316 1075706918 /nfs/dbraw/zinc/70/69/18/1075706918.db2.gz PXRVVPJEYAQQMR-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580278780 1075706942 /nfs/dbraw/zinc/70/69/42/1075706942.db2.gz GENARICOQAGAFD-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580278780 1075706937 /nfs/dbraw/zinc/70/69/37/1075706937.db2.gz GENARICOQAGAFD-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580280661 1075706995 /nfs/dbraw/zinc/70/69/95/1075706995.db2.gz FHFLVBAQCPSCIN-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580280661 1075706990 /nfs/dbraw/zinc/70/69/90/1075706990.db2.gz FHFLVBAQCPSCIN-JTQLQIEISA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@H+]1C ZINC001580385345 1075713332 /nfs/dbraw/zinc/71/33/32/1075713332.db2.gz FKBVLJANROQEQJ-GHMZBOCLSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@@H+]1C ZINC001580385345 1075713327 /nfs/dbraw/zinc/71/33/27/1075713327.db2.gz FKBVLJANROQEQJ-GHMZBOCLSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC[N@H+]1C ZINC001580385345 1075713321 /nfs/dbraw/zinc/71/33/21/1075713321.db2.gz FKBVLJANROQEQJ-GHMZBOCLSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC[N@@H+]1C ZINC001580385345 1075713318 /nfs/dbraw/zinc/71/33/18/1075713318.db2.gz FKBVLJANROQEQJ-GHMZBOCLSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@H+]1C ZINC001580385400 1075713538 /nfs/dbraw/zinc/71/35/38/1075713538.db2.gz HKWWAKVJAFQZFM-DMTCVQMQSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@@H+]1C ZINC001580385400 1075713536 /nfs/dbraw/zinc/71/35/36/1075713536.db2.gz HKWWAKVJAFQZFM-DMTCVQMQSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC[N@H+]1C ZINC001580385400 1075713531 /nfs/dbraw/zinc/71/35/31/1075713531.db2.gz HKWWAKVJAFQZFM-DMTCVQMQSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC[N@@H+]1C ZINC001580385400 1075713522 /nfs/dbraw/zinc/71/35/22/1075713522.db2.gz HKWWAKVJAFQZFM-DMTCVQMQSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385401 1075713163 /nfs/dbraw/zinc/71/31/63/1075713163.db2.gz HKWWAKVJAFQZFM-MHWZDGSBSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385401 1075713159 /nfs/dbraw/zinc/71/31/59/1075713159.db2.gz HKWWAKVJAFQZFM-MHWZDGSBSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385401 1075713154 /nfs/dbraw/zinc/71/31/54/1075713154.db2.gz HKWWAKVJAFQZFM-MHWZDGSBSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385401 1075713148 /nfs/dbraw/zinc/71/31/48/1075713148.db2.gz HKWWAKVJAFQZFM-MHWZDGSBSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@H+]1C ZINC001580385496 1075713459 /nfs/dbraw/zinc/71/34/59/1075713459.db2.gz MGLRXFYAQURNLW-ZYHUDNBSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001580385496 1075713452 /nfs/dbraw/zinc/71/34/52/1075713452.db2.gz MGLRXFYAQURNLW-ZYHUDNBSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@H+]1C ZINC001580385496 1075713447 /nfs/dbraw/zinc/71/34/47/1075713447.db2.gz MGLRXFYAQURNLW-ZYHUDNBSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@@H+]1C ZINC001580385496 1075713440 /nfs/dbraw/zinc/71/34/40/1075713440.db2.gz MGLRXFYAQURNLW-ZYHUDNBSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385520 1075713639 /nfs/dbraw/zinc/71/36/39/1075713639.db2.gz MVDFBXOXOHHNAZ-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385520 1075713637 /nfs/dbraw/zinc/71/36/37/1075713637.db2.gz MVDFBXOXOHHNAZ-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385520 1075713634 /nfs/dbraw/zinc/71/36/34/1075713634.db2.gz MVDFBXOXOHHNAZ-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385520 1075713631 /nfs/dbraw/zinc/71/36/31/1075713631.db2.gz MVDFBXOXOHHNAZ-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@H+]1C ZINC001580385521 1075713295 /nfs/dbraw/zinc/71/32/95/1075713295.db2.gz MVDFBXOXOHHNAZ-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001580385521 1075713290 /nfs/dbraw/zinc/71/32/90/1075713290.db2.gz MVDFBXOXOHHNAZ-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@H+]1C ZINC001580385521 1075713287 /nfs/dbraw/zinc/71/32/87/1075713287.db2.gz MVDFBXOXOHHNAZ-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@@H+]1C ZINC001580385521 1075713283 /nfs/dbraw/zinc/71/32/83/1075713283.db2.gz MVDFBXOXOHHNAZ-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385892 1075713421 /nfs/dbraw/zinc/71/34/21/1075713421.db2.gz XZQCCZOSVOKDTO-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385892 1075713416 /nfs/dbraw/zinc/71/34/16/1075713416.db2.gz XZQCCZOSVOKDTO-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC[N@H+]1C ZINC001580385892 1075713412 /nfs/dbraw/zinc/71/34/12/1075713412.db2.gz XZQCCZOSVOKDTO-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385892 1075713404 /nfs/dbraw/zinc/71/34/04/1075713404.db2.gz XZQCCZOSVOKDTO-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001580385894 1075713608 /nfs/dbraw/zinc/71/36/08/1075713608.db2.gz XZQCCZOSVOKDTO-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001580385894 1075713605 /nfs/dbraw/zinc/71/36/05/1075713605.db2.gz XZQCCZOSVOKDTO-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001580385894 1075713604 /nfs/dbraw/zinc/71/36/04/1075713604.db2.gz XZQCCZOSVOKDTO-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001580385894 1075713601 /nfs/dbraw/zinc/71/36/01/1075713601.db2.gz XZQCCZOSVOKDTO-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@H+]1C ZINC001580387716 1075713653 /nfs/dbraw/zinc/71/36/53/1075713653.db2.gz DOMRXVHYAQQYMM-GHMZBOCLSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@@H+]1C ZINC001580387716 1075713651 /nfs/dbraw/zinc/71/36/51/1075713651.db2.gz DOMRXVHYAQQYMM-GHMZBOCLSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC[N@H+]1C ZINC001580387716 1075713649 /nfs/dbraw/zinc/71/36/49/1075713649.db2.gz DOMRXVHYAQQYMM-GHMZBOCLSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC[N@@H+]1C ZINC001580387716 1075713647 /nfs/dbraw/zinc/71/36/47/1075713647.db2.gz DOMRXVHYAQQYMM-GHMZBOCLSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1C ZINC001580387878 1075713502 /nfs/dbraw/zinc/71/35/02/1075713502.db2.gz GNLFKABDWQNVLZ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1C ZINC001580387878 1075713496 /nfs/dbraw/zinc/71/34/96/1075713496.db2.gz GNLFKABDWQNVLZ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@H+]1C ZINC001580387878 1075713490 /nfs/dbraw/zinc/71/34/90/1075713490.db2.gz GNLFKABDWQNVLZ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@@H+]1C ZINC001580387878 1075713483 /nfs/dbraw/zinc/71/34/83/1075713483.db2.gz GNLFKABDWQNVLZ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1C ZINC001580387879 1075713366 /nfs/dbraw/zinc/71/33/66/1075713366.db2.gz GNLFKABDWQNVLZ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1C ZINC001580387879 1075713361 /nfs/dbraw/zinc/71/33/61/1075713361.db2.gz GNLFKABDWQNVLZ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@H+]1C ZINC001580387879 1075713356 /nfs/dbraw/zinc/71/33/56/1075713356.db2.gz GNLFKABDWQNVLZ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@@H+]1C ZINC001580387879 1075713349 /nfs/dbraw/zinc/71/33/49/1075713349.db2.gz GNLFKABDWQNVLZ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC001580387911 1075713623 /nfs/dbraw/zinc/71/36/23/1075713623.db2.gz HGKJWCRRMZRZAD-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC001580387911 1075713621 /nfs/dbraw/zinc/71/36/21/1075713621.db2.gz HGKJWCRRMZRZAD-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC001580387911 1075713618 /nfs/dbraw/zinc/71/36/18/1075713618.db2.gz HGKJWCRRMZRZAD-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC001580387911 1075713616 /nfs/dbraw/zinc/71/36/16/1075713616.db2.gz HGKJWCRRMZRZAD-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC001580387912 1075713266 /nfs/dbraw/zinc/71/32/66/1075713266.db2.gz HGKJWCRRMZRZAD-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC001580387912 1075713258 /nfs/dbraw/zinc/71/32/58/1075713258.db2.gz HGKJWCRRMZRZAD-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC001580387912 1075713252 /nfs/dbraw/zinc/71/32/52/1075713252.db2.gz HGKJWCRRMZRZAD-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC001580387912 1075713249 /nfs/dbraw/zinc/71/32/49/1075713249.db2.gz HGKJWCRRMZRZAD-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC001580388005 1075713389 /nfs/dbraw/zinc/71/33/89/1075713389.db2.gz KOYPUYNERDFXQY-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC001580388005 1075713386 /nfs/dbraw/zinc/71/33/86/1075713386.db2.gz KOYPUYNERDFXQY-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC001580388005 1075713382 /nfs/dbraw/zinc/71/33/82/1075713382.db2.gz KOYPUYNERDFXQY-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC001580388005 1075713378 /nfs/dbraw/zinc/71/33/78/1075713378.db2.gz KOYPUYNERDFXQY-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC001580388006 1075713581 /nfs/dbraw/zinc/71/35/81/1075713581.db2.gz KOYPUYNERDFXQY-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC001580388006 1075713577 /nfs/dbraw/zinc/71/35/77/1075713577.db2.gz KOYPUYNERDFXQY-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC001580388006 1075713572 /nfs/dbraw/zinc/71/35/72/1075713572.db2.gz KOYPUYNERDFXQY-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC001580388006 1075713570 /nfs/dbraw/zinc/71/35/70/1075713570.db2.gz KOYPUYNERDFXQY-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1C ZINC001580388029 1075713201 /nfs/dbraw/zinc/71/32/01/1075713201.db2.gz LIXYUBOCTGTTAQ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1C ZINC001580388029 1075713198 /nfs/dbraw/zinc/71/31/98/1075713198.db2.gz LIXYUBOCTGTTAQ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@H+]1C ZINC001580388029 1075713192 /nfs/dbraw/zinc/71/31/92/1075713192.db2.gz LIXYUBOCTGTTAQ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@@H+]1C ZINC001580388029 1075713188 /nfs/dbraw/zinc/71/31/88/1075713188.db2.gz LIXYUBOCTGTTAQ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1C ZINC001580388030 1075713230 /nfs/dbraw/zinc/71/32/30/1075713230.db2.gz LIXYUBOCTGTTAQ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1C ZINC001580388030 1075713225 /nfs/dbraw/zinc/71/32/25/1075713225.db2.gz LIXYUBOCTGTTAQ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@H+]1C ZINC001580388030 1075713219 /nfs/dbraw/zinc/71/32/19/1075713219.db2.gz LIXYUBOCTGTTAQ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@@H+]1C ZINC001580388030 1075713216 /nfs/dbraw/zinc/71/32/16/1075713216.db2.gz LIXYUBOCTGTTAQ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@H+]1C ZINC001580388066 1075714149 /nfs/dbraw/zinc/71/41/49/1075714149.db2.gz LZVYEASSWULCSG-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@@H+]1C ZINC001580388066 1075714146 /nfs/dbraw/zinc/71/41/46/1075714146.db2.gz LZVYEASSWULCSG-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@H+]1C ZINC001580388066 1075714142 /nfs/dbraw/zinc/71/41/42/1075714142.db2.gz LZVYEASSWULCSG-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@@H+]1C ZINC001580388066 1075714139 /nfs/dbraw/zinc/71/41/39/1075714139.db2.gz LZVYEASSWULCSG-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@H+]1C ZINC001580388067 1075714219 /nfs/dbraw/zinc/71/42/19/1075714219.db2.gz LZVYEASSWULCSG-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@@H+]1C ZINC001580388067 1075714218 /nfs/dbraw/zinc/71/42/18/1075714218.db2.gz LZVYEASSWULCSG-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@H+]1C ZINC001580388067 1075714215 /nfs/dbraw/zinc/71/42/15/1075714215.db2.gz LZVYEASSWULCSG-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@@H+]1C ZINC001580388067 1075714213 /nfs/dbraw/zinc/71/42/13/1075714213.db2.gz LZVYEASSWULCSG-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC001580388177 1075713955 /nfs/dbraw/zinc/71/39/55/1075713955.db2.gz QPPCFQQZKGVUMP-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC001580388177 1075713949 /nfs/dbraw/zinc/71/39/49/1075713949.db2.gz QPPCFQQZKGVUMP-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC001580388177 1075713946 /nfs/dbraw/zinc/71/39/46/1075713946.db2.gz QPPCFQQZKGVUMP-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC001580388177 1075713940 /nfs/dbraw/zinc/71/39/40/1075713940.db2.gz QPPCFQQZKGVUMP-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC001580388178 1075714165 /nfs/dbraw/zinc/71/41/65/1075714165.db2.gz QPPCFQQZKGVUMP-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC001580388178 1075714161 /nfs/dbraw/zinc/71/41/61/1075714161.db2.gz QPPCFQQZKGVUMP-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC001580388178 1075714159 /nfs/dbraw/zinc/71/41/59/1075714159.db2.gz QPPCFQQZKGVUMP-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC001580388178 1075714156 /nfs/dbraw/zinc/71/41/56/1075714156.db2.gz QPPCFQQZKGVUMP-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@H+]1C ZINC001580388316 1075714068 /nfs/dbraw/zinc/71/40/68/1075714068.db2.gz WOBTVEUXVCLEMT-ZYHUDNBSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001580388316 1075714062 /nfs/dbraw/zinc/71/40/62/1075714062.db2.gz WOBTVEUXVCLEMT-ZYHUDNBSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@H+]1C ZINC001580388316 1075714057 /nfs/dbraw/zinc/71/40/57/1075714057.db2.gz WOBTVEUXVCLEMT-ZYHUDNBSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@@H+]1C ZINC001580388316 1075714052 /nfs/dbraw/zinc/71/40/52/1075714052.db2.gz WOBTVEUXVCLEMT-ZYHUDNBSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1C ZINC001580388365 1075713924 /nfs/dbraw/zinc/71/39/24/1075713924.db2.gz YMOUVUZPAMSMPQ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1C ZINC001580388365 1075713919 /nfs/dbraw/zinc/71/39/19/1075713919.db2.gz YMOUVUZPAMSMPQ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@H+]1C ZINC001580388365 1075713914 /nfs/dbraw/zinc/71/39/14/1075713914.db2.gz YMOUVUZPAMSMPQ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@@H+]1C ZINC001580388365 1075713908 /nfs/dbraw/zinc/71/39/08/1075713908.db2.gz YMOUVUZPAMSMPQ-GMTAPVOTSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1C ZINC001580388366 1075713883 /nfs/dbraw/zinc/71/38/83/1075713883.db2.gz YMOUVUZPAMSMPQ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1C ZINC001580388366 1075713877 /nfs/dbraw/zinc/71/38/77/1075713877.db2.gz YMOUVUZPAMSMPQ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@H+]1C ZINC001580388366 1075713871 /nfs/dbraw/zinc/71/38/71/1075713871.db2.gz YMOUVUZPAMSMPQ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[N@@H+]1C ZINC001580388366 1075713867 /nfs/dbraw/zinc/71/38/67/1075713867.db2.gz YMOUVUZPAMSMPQ-OUAUKWLOSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@H+]1C ZINC001580388367 1075714120 /nfs/dbraw/zinc/71/41/20/1075714120.db2.gz YMVYAFUKMSMBLO-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@@H+]1C ZINC001580388367 1075714113 /nfs/dbraw/zinc/71/41/13/1075714113.db2.gz YMVYAFUKMSMBLO-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@H+]1C ZINC001580388367 1075714109 /nfs/dbraw/zinc/71/41/09/1075714109.db2.gz YMVYAFUKMSMBLO-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@@H+]1C ZINC001580388367 1075714102 /nfs/dbraw/zinc/71/41/02/1075714102.db2.gz YMVYAFUKMSMBLO-ADEWGFFLSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@H+]1C ZINC001580388368 1075713984 /nfs/dbraw/zinc/71/39/84/1075713984.db2.gz YMVYAFUKMSMBLO-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@@H+]1C ZINC001580388368 1075713980 /nfs/dbraw/zinc/71/39/80/1075713980.db2.gz YMVYAFUKMSMBLO-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@H+]1C ZINC001580388368 1075713976 /nfs/dbraw/zinc/71/39/76/1075713976.db2.gz YMVYAFUKMSMBLO-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@@H+]1C ZINC001580388368 1075713970 /nfs/dbraw/zinc/71/39/70/1075713970.db2.gz YMVYAFUKMSMBLO-YUSALJHKSA-N 0 3 376.421 -1.258 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)CC[N@H+]1C ZINC001580389660 1075714853 /nfs/dbraw/zinc/71/48/53/1075714853.db2.gz IAZQGPFFSGICSN-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)CC[N@@H+]1C ZINC001580389660 1075714847 /nfs/dbraw/zinc/71/48/47/1075714847.db2.gz IAZQGPFFSGICSN-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)CC[N@H+]1C ZINC001580389660 1075714840 /nfs/dbraw/zinc/71/48/40/1075714840.db2.gz IAZQGPFFSGICSN-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)CC[N@@H+]1C ZINC001580389660 1075714832 /nfs/dbraw/zinc/71/48/32/1075714832.db2.gz IAZQGPFFSGICSN-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)CC[N@H+]1C ZINC001580389661 1075714754 /nfs/dbraw/zinc/71/47/54/1075714754.db2.gz IAZQGPFFSGICSN-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001580389661 1075714749 /nfs/dbraw/zinc/71/47/49/1075714749.db2.gz IAZQGPFFSGICSN-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)CC[N@H+]1C ZINC001580389661 1075714746 /nfs/dbraw/zinc/71/47/46/1075714746.db2.gz IAZQGPFFSGICSN-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001580389661 1075714742 /nfs/dbraw/zinc/71/47/42/1075714742.db2.gz IAZQGPFFSGICSN-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)CC[N@H+]1C ZINC001580389757 1075714914 /nfs/dbraw/zinc/71/49/14/1075714914.db2.gz NCBDXBWNKQBFJF-DMTCVQMQSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001580389757 1075714911 /nfs/dbraw/zinc/71/49/11/1075714911.db2.gz NCBDXBWNKQBFJF-DMTCVQMQSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)CC[N@H+]1C ZINC001580389757 1075714908 /nfs/dbraw/zinc/71/49/08/1075714908.db2.gz NCBDXBWNKQBFJF-DMTCVQMQSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001580389757 1075714903 /nfs/dbraw/zinc/71/49/03/1075714903.db2.gz NCBDXBWNKQBFJF-DMTCVQMQSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CC[N@H+]1C ZINC001580389999 1075714950 /nfs/dbraw/zinc/71/49/50/1075714950.db2.gz NCBDXBWNKQBFJF-MHWZDGSBSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CC[N@@H+]1C ZINC001580389999 1075714946 /nfs/dbraw/zinc/71/49/46/1075714946.db2.gz NCBDXBWNKQBFJF-MHWZDGSBSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CC[N@H+]1C ZINC001580389999 1075714942 /nfs/dbraw/zinc/71/49/42/1075714942.db2.gz NCBDXBWNKQBFJF-MHWZDGSBSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CC[N@@H+]1C ZINC001580389999 1075714938 /nfs/dbraw/zinc/71/49/38/1075714938.db2.gz NCBDXBWNKQBFJF-MHWZDGSBSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)CC[N@H+]1C ZINC001580390086 1075715301 /nfs/dbraw/zinc/71/53/01/1075715301.db2.gz RMRMTVFCNRSZAJ-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001580390086 1075715297 /nfs/dbraw/zinc/71/52/97/1075715297.db2.gz RMRMTVFCNRSZAJ-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)CC[N@H+]1C ZINC001580390086 1075715295 /nfs/dbraw/zinc/71/52/95/1075715295.db2.gz RMRMTVFCNRSZAJ-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001580390086 1075715293 /nfs/dbraw/zinc/71/52/93/1075715293.db2.gz RMRMTVFCNRSZAJ-IMJCEVDSSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)CC[N@H+]1C ZINC001580390087 1075715366 /nfs/dbraw/zinc/71/53/66/1075715366.db2.gz RMRMTVFCNRSZAJ-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)CC[N@@H+]1C ZINC001580390087 1075715361 /nfs/dbraw/zinc/71/53/61/1075715361.db2.gz RMRMTVFCNRSZAJ-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)CC[N@H+]1C ZINC001580390087 1075715357 /nfs/dbraw/zinc/71/53/57/1075715357.db2.gz RMRMTVFCNRSZAJ-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)CC[N@@H+]1C ZINC001580390087 1075715353 /nfs/dbraw/zinc/71/53/53/1075715353.db2.gz RMRMTVFCNRSZAJ-WGEPELCKSA-N 0 3 388.432 -1.164 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001580399369 1075716027 /nfs/dbraw/zinc/71/60/27/1075716027.db2.gz CDAXRCICIOZHFW-PWSUYJOCSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001580399369 1075716023 /nfs/dbraw/zinc/71/60/23/1075716023.db2.gz CDAXRCICIOZHFW-PWSUYJOCSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001580399639 1075716000 /nfs/dbraw/zinc/71/60/00/1075716000.db2.gz JTPSBOXKAPTWLU-PWSUYJOCSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001580399639 1075715996 /nfs/dbraw/zinc/71/59/96/1075715996.db2.gz JTPSBOXKAPTWLU-PWSUYJOCSA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001580399916 1075716200 /nfs/dbraw/zinc/71/62/00/1075716200.db2.gz UNKKIGFLBUCNIZ-MNOVXSKESA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001580399916 1075716196 /nfs/dbraw/zinc/71/61/96/1075716196.db2.gz UNKKIGFLBUCNIZ-MNOVXSKESA-N 0 3 376.421 -1.114 20 0 GAADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580402692 1075716232 /nfs/dbraw/zinc/71/62/32/1075716232.db2.gz POGDLXYCWSJKSJ-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580402692 1075716228 /nfs/dbraw/zinc/71/62/28/1075716228.db2.gz POGDLXYCWSJKSJ-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580402703 1075716057 /nfs/dbraw/zinc/71/60/57/1075716057.db2.gz PXRVVPJEYAQQMR-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580402703 1075716052 /nfs/dbraw/zinc/71/60/52/1075716052.db2.gz PXRVVPJEYAQQMR-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580407079 1075716601 /nfs/dbraw/zinc/71/66/01/1075716601.db2.gz GENARICOQAGAFD-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580407079 1075716599 /nfs/dbraw/zinc/71/65/99/1075716599.db2.gz GENARICOQAGAFD-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580407767 1075716634 /nfs/dbraw/zinc/71/66/34/1075716634.db2.gz ORQJVNGCMZRYAD-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580407767 1075716629 /nfs/dbraw/zinc/71/66/29/1075716629.db2.gz ORQJVNGCMZRYAD-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580408199 1075716415 /nfs/dbraw/zinc/71/64/15/1075716415.db2.gz FHFLVBAQCPSCIN-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580408199 1075716408 /nfs/dbraw/zinc/71/64/08/1075716408.db2.gz FHFLVBAQCPSCIN-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580409130 1075716537 /nfs/dbraw/zinc/71/65/37/1075716537.db2.gz WQDDUNLAOVELIU-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580409130 1075716535 /nfs/dbraw/zinc/71/65/35/1075716535.db2.gz WQDDUNLAOVELIU-SNVBAGLBSA-N 0 3 384.404 -1.148 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001580437579 1075718390 /nfs/dbraw/zinc/71/83/90/1075718390.db2.gz KYVQZTUCHOYNFT-GWCFXTLKSA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580437579 1075718384 /nfs/dbraw/zinc/71/83/84/1075718384.db2.gz KYVQZTUCHOYNFT-GWCFXTLKSA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001580437580 1075718290 /nfs/dbraw/zinc/71/82/90/1075718290.db2.gz KYVQZTUCHOYNFT-GXFFZTMASA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580437580 1075718285 /nfs/dbraw/zinc/71/82/85/1075718285.db2.gz KYVQZTUCHOYNFT-GXFFZTMASA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001580437778 1075718360 /nfs/dbraw/zinc/71/83/60/1075718360.db2.gz NHOHGHGAXOVMST-GWCFXTLKSA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001580437778 1075718356 /nfs/dbraw/zinc/71/83/56/1075718356.db2.gz NHOHGHGAXOVMST-GWCFXTLKSA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001580437779 1075718273 /nfs/dbraw/zinc/71/82/73/1075718273.db2.gz NHOHGHGAXOVMST-GXFFZTMASA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001580437779 1075718267 /nfs/dbraw/zinc/71/82/67/1075718267.db2.gz NHOHGHGAXOVMST-GXFFZTMASA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580437781 1075718209 /nfs/dbraw/zinc/71/82/09/1075718209.db2.gz NMQQMMYLNFNYJY-CMPLNLGQSA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580437781 1075718206 /nfs/dbraw/zinc/71/82/06/1075718206.db2.gz NMQQMMYLNFNYJY-CMPLNLGQSA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580437782 1075718670 /nfs/dbraw/zinc/71/86/70/1075718670.db2.gz NMQQMMYLNFNYJY-JQWIXIFHSA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580437782 1075718662 /nfs/dbraw/zinc/71/86/62/1075718662.db2.gz NMQQMMYLNFNYJY-JQWIXIFHSA-N 0 3 376.421 -1.168 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(CCO)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001580438224 1075718790 /nfs/dbraw/zinc/71/87/90/1075718790.db2.gz UTHREOBNXLXOPH-NSHDSACASA-N 0 3 376.421 -1.166 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(CCO)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001580438224 1075718787 /nfs/dbraw/zinc/71/87/87/1075718787.db2.gz UTHREOBNXLXOPH-NSHDSACASA-N 0 3 376.421 -1.166 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001580440283 1075719465 /nfs/dbraw/zinc/71/94/65/1075719465.db2.gz BNEZOLGVKGEPBK-NSHDSACASA-N 0 3 388.436 -1.443 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001580440639 1075719820 /nfs/dbraw/zinc/71/98/20/1075719820.db2.gz OCGJJXGFRZOHOR-APPDUMDISA-N 0 3 388.432 -1.024 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001580440639 1075719818 /nfs/dbraw/zinc/71/98/18/1075719818.db2.gz OCGJJXGFRZOHOR-APPDUMDISA-N 0 3 388.432 -1.024 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001580440639 1075719815 /nfs/dbraw/zinc/71/98/15/1075719815.db2.gz OCGJJXGFRZOHOR-APPDUMDISA-N 0 3 388.432 -1.024 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001580440639 1075719813 /nfs/dbraw/zinc/71/98/13/1075719813.db2.gz OCGJJXGFRZOHOR-APPDUMDISA-N 0 3 388.432 -1.024 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001580440640 1075719794 /nfs/dbraw/zinc/71/97/94/1075719794.db2.gz OCGJJXGFRZOHOR-GTNSWQLSSA-N 0 3 388.432 -1.024 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001580440640 1075719793 /nfs/dbraw/zinc/71/97/93/1075719793.db2.gz OCGJJXGFRZOHOR-GTNSWQLSSA-N 0 3 388.432 -1.024 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001580440640 1075719792 /nfs/dbraw/zinc/71/97/92/1075719792.db2.gz OCGJJXGFRZOHOR-GTNSWQLSSA-N 0 3 388.432 -1.024 20 0 GAADHN C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001580440640 1075719791 /nfs/dbraw/zinc/71/97/91/1075719791.db2.gz OCGJJXGFRZOHOR-GTNSWQLSSA-N 0 3 388.432 -1.024 20 0 GAADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001580677905 1075732294 /nfs/dbraw/zinc/73/22/94/1075732294.db2.gz VXBGNUOSIWPRBZ-CHWSQXEVSA-N 0 3 375.437 -1.029 20 0 GAADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC001580677905 1075732290 /nfs/dbraw/zinc/73/22/90/1075732290.db2.gz VXBGNUOSIWPRBZ-CHWSQXEVSA-N 0 3 375.437 -1.029 20 0 GAADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)n1 ZINC001580681802 1075733776 /nfs/dbraw/zinc/73/37/76/1075733776.db2.gz VXBGNUOSIWPRBZ-OLZOCXBDSA-N 0 3 375.437 -1.029 20 0 GAADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)n1 ZINC001580681802 1075733768 /nfs/dbraw/zinc/73/37/68/1075733768.db2.gz VXBGNUOSIWPRBZ-OLZOCXBDSA-N 0 3 375.437 -1.029 20 0 GAADHN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973915 1075743973 /nfs/dbraw/zinc/74/39/73/1075743973.db2.gz CVDXVEHDGAGCFJ-BPLDGKMQSA-N 0 3 388.432 -1.434 20 0 GAADHN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973916 1075743963 /nfs/dbraw/zinc/74/39/63/1075743963.db2.gz CVDXVEHDGAGCFJ-YUELXQCFSA-N 0 3 388.432 -1.434 20 0 GAADHN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974033 1075743951 /nfs/dbraw/zinc/74/39/51/1075743951.db2.gz IPOQBJPBUWIDSR-ZWNOBZJWSA-N 0 3 385.388 -1.011 20 0 GAADHN Cc1cc(N2C[C@@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976430 1075744430 /nfs/dbraw/zinc/74/44/30/1075744430.db2.gz IPOQBJPBUWIDSR-MFKMUULPSA-N 0 3 385.388 -1.011 20 0 GAADHN Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997094 1075745446 /nfs/dbraw/zinc/74/54/46/1075745446.db2.gz BZHALGIYZMUPMI-BXUZGUMPSA-N 0 3 376.421 -1.788 20 0 GAADHN Cc1cc(N[C@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997095 1075745312 /nfs/dbraw/zinc/74/53/12/1075745312.db2.gz BZHALGIYZMUPMI-FZMZJTMJSA-N 0 3 376.421 -1.788 20 0 GAADHN Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997096 1075745428 /nfs/dbraw/zinc/74/54/28/1075745428.db2.gz BZHALGIYZMUPMI-RISCZKNCSA-N 0 3 376.421 -1.788 20 0 GAADHN Cc1cc(N[C@H](CO)CNC(=O)[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997097 1075745464 /nfs/dbraw/zinc/74/54/64/1075745464.db2.gz BZHALGIYZMUPMI-SMDDNHRTSA-N 0 3 376.421 -1.788 20 0 GAADHN Cc1cc(N[C@@H](CO)CNC(=O)CCN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997884 1075746329 /nfs/dbraw/zinc/74/63/29/1075746329.db2.gz SVCYBFFNBUDBMO-CYBMUJFWSA-N 0 3 390.448 -1.397 20 0 GAADHN Cc1cc(N[C@H](CO)CNC(=O)CCN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997885 1075746362 /nfs/dbraw/zinc/74/63/62/1075746362.db2.gz SVCYBFFNBUDBMO-ZDUSSCGKSA-N 0 3 390.448 -1.397 20 0 GAADHN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014368 1075747264 /nfs/dbraw/zinc/74/72/64/1075747264.db2.gz HMAHXLOVNHLUQC-DOMZBBRYSA-N 0 3 390.448 -1.446 20 0 GAADHN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014369 1075747165 /nfs/dbraw/zinc/74/71/65/1075747165.db2.gz HMAHXLOVNHLUQC-IUODEOHRSA-N 0 3 390.448 -1.446 20 0 GAADHN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014370 1075747273 /nfs/dbraw/zinc/74/72/73/1075747273.db2.gz HMAHXLOVNHLUQC-SWLSCSKDSA-N 0 3 390.448 -1.446 20 0 GAADHN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014371 1075747231 /nfs/dbraw/zinc/74/72/31/1075747231.db2.gz HMAHXLOVNHLUQC-WFASDCNBSA-N 0 3 390.448 -1.446 20 0 GAADHN Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014546 1075747435 /nfs/dbraw/zinc/74/74/35/1075747435.db2.gz IRTPJGDQEMCUKC-BXUZGUMPSA-N 0 3 376.421 -1.788 20 0 GAADHN Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014547 1075747571 /nfs/dbraw/zinc/74/75/71/1075747571.db2.gz IRTPJGDQEMCUKC-FZMZJTMJSA-N 0 3 376.421 -1.788 20 0 GAADHN Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014548 1075747530 /nfs/dbraw/zinc/74/75/30/1075747530.db2.gz IRTPJGDQEMCUKC-RISCZKNCSA-N 0 3 376.421 -1.788 20 0 GAADHN Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014549 1075747455 /nfs/dbraw/zinc/74/74/55/1075747455.db2.gz IRTPJGDQEMCUKC-SMDDNHRTSA-N 0 3 376.421 -1.788 20 0 GAADHN Cc1cc(NC[C@@H](O)CNC(=O)CCN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015838 1075748701 /nfs/dbraw/zinc/74/87/01/1075748701.db2.gz VIARSDHTYCGRFC-CYBMUJFWSA-N 0 3 390.448 -1.397 20 0 GAADHN Cc1cc(NC[C@H](O)CNC(=O)CCN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015839 1075748727 /nfs/dbraw/zinc/74/87/27/1075748727.db2.gz VIARSDHTYCGRFC-ZDUSSCGKSA-N 0 3 390.448 -1.397 20 0 GAADHN Cc1cc(NC[C@H](O)CN(C)C(=O)c2cn(C)c(=O)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016104 1075749006 /nfs/dbraw/zinc/74/90/06/1075749006.db2.gz YGPNZMYOKGPHJC-JTQLQIEISA-N 0 3 387.404 -1.024 20 0 GAADHN Cc1cc(NC[C@@H](O)CN(C)C(=O)c2cn(C)c(=O)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016105 1075748988 /nfs/dbraw/zinc/74/89/88/1075748988.db2.gz YGPNZMYOKGPHJC-SNVBAGLBSA-N 0 3 387.404 -1.024 20 0 GAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[nH]1 ZINC001581016116 1075748952 /nfs/dbraw/zinc/74/89/52/1075748952.db2.gz YQMZLQUVQOUUJJ-LLVKDONJSA-N 0 3 386.420 -1.108 20 0 GAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[nH]1 ZINC001581016117 1075748961 /nfs/dbraw/zinc/74/89/61/1075748961.db2.gz YQMZLQUVQOUUJJ-NSHDSACASA-N 0 3 386.420 -1.108 20 0 GAADHN Cc1cc(NCCN(CCO)C(=O)c2cn(C)c(=O)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028614 1075750557 /nfs/dbraw/zinc/75/05/57/1075750557.db2.gz GRSKAKSIHSNCNW-UHFFFAOYSA-N 0 3 387.404 -1.022 20 0 GAADHN Cc1cc(NCCN(CCO)C(=O)[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028754 1075750591 /nfs/dbraw/zinc/75/05/91/1075750591.db2.gz KSWWWBIPMOOXOJ-HNNXBMFYSA-N 0 3 390.448 -1.445 20 0 GAADHN Cc1cc(NCCN(CCO)C(=O)[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028756 1075750540 /nfs/dbraw/zinc/75/05/40/1075750540.db2.gz KSWWWBIPMOOXOJ-OAHLLOKOSA-N 0 3 390.448 -1.445 20 0 GAADHN Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1=O ZINC001581804876 1075799944 /nfs/dbraw/zinc/79/99/44/1075799944.db2.gz BIHHNARCUXXXAJ-CYBMUJFWSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cc1=O ZINC001581804876 1075799940 /nfs/dbraw/zinc/79/99/40/1075799940.db2.gz BIHHNARCUXXXAJ-CYBMUJFWSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1=O ZINC001581804877 1075799847 /nfs/dbraw/zinc/79/98/47/1075799847.db2.gz BIHHNARCUXXXAJ-ZDUSSCGKSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cc1=O ZINC001581804877 1075799845 /nfs/dbraw/zinc/79/98/45/1075799845.db2.gz BIHHNARCUXXXAJ-ZDUSSCGKSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1=O ZINC001581804887 1075799863 /nfs/dbraw/zinc/79/98/63/1075799863.db2.gz BRMUERFAWNJJJM-SECBINFHSA-N 0 3 390.429 -1.098 20 0 GAADHN Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1=O ZINC001581804888 1075799888 /nfs/dbraw/zinc/79/98/88/1075799888.db2.gz BRMUERFAWNJJJM-VIFPVBQESA-N 0 3 390.429 -1.098 20 0 GAADHN Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001581805042 1075800143 /nfs/dbraw/zinc/80/01/43/1075800143.db2.gz GVJCEIMITUHMAT-CYBMUJFWSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1=O ZINC001581805042 1075800137 /nfs/dbraw/zinc/80/01/37/1075800137.db2.gz GVJCEIMITUHMAT-CYBMUJFWSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001581805043 1075800311 /nfs/dbraw/zinc/80/03/11/1075800311.db2.gz GVJCEIMITUHMAT-ZDUSSCGKSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1=O ZINC001581805043 1075800306 /nfs/dbraw/zinc/80/03/06/1075800306.db2.gz GVJCEIMITUHMAT-ZDUSSCGKSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1=O ZINC001581805822 1075800569 /nfs/dbraw/zinc/80/05/69/1075800569.db2.gz XALIAKDSYZBTKE-GFCCVEGCSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)cc1=O ZINC001581805822 1075800567 /nfs/dbraw/zinc/80/05/67/1075800567.db2.gz XALIAKDSYZBTKE-GFCCVEGCSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1=O ZINC001581805823 1075800701 /nfs/dbraw/zinc/80/07/01/1075800701.db2.gz XALIAKDSYZBTKE-LBPRGKRZSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)cc1=O ZINC001581805823 1075800690 /nfs/dbraw/zinc/80/06/90/1075800690.db2.gz XALIAKDSYZBTKE-LBPRGKRZSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)c1=O ZINC001581820130 1075810984 /nfs/dbraw/zinc/81/09/84/1075810984.db2.gz YOLYMTRQJMJHAR-GFCCVEGCSA-N 0 3 387.404 -1.971 20 0 GAADHN Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)c1=O ZINC001581820130 1075810980 /nfs/dbraw/zinc/81/09/80/1075810980.db2.gz YOLYMTRQJMJHAR-GFCCVEGCSA-N 0 3 387.404 -1.971 20 0 GAADHN Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)c1=O ZINC001581820131 1075811450 /nfs/dbraw/zinc/81/14/50/1075811450.db2.gz YOLYMTRQJMJHAR-LBPRGKRZSA-N 0 3 387.404 -1.971 20 0 GAADHN Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)c1=O ZINC001581820131 1075811445 /nfs/dbraw/zinc/81/14/45/1075811445.db2.gz YOLYMTRQJMJHAR-LBPRGKRZSA-N 0 3 387.404 -1.971 20 0 GAADHN Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001581820165 1075811422 /nfs/dbraw/zinc/81/14/22/1075811422.db2.gz ZPYWNYNFDQKTAN-CYBMUJFWSA-N 0 3 387.404 -1.971 20 0 GAADHN Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC001581820165 1075811414 /nfs/dbraw/zinc/81/14/14/1075811414.db2.gz ZPYWNYNFDQKTAN-CYBMUJFWSA-N 0 3 387.404 -1.971 20 0 GAADHN Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001581820166 1075811402 /nfs/dbraw/zinc/81/14/02/1075811402.db2.gz ZPYWNYNFDQKTAN-ZDUSSCGKSA-N 0 3 387.404 -1.971 20 0 GAADHN Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC001581820166 1075811397 /nfs/dbraw/zinc/81/13/97/1075811397.db2.gz ZPYWNYNFDQKTAN-ZDUSSCGKSA-N 0 3 387.404 -1.971 20 0 GAADHN Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC001581822108 1075812625 /nfs/dbraw/zinc/81/26/25/1075812625.db2.gz CSXUYSKPGIAOIK-CYBMUJFWSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC001581822108 1075812620 /nfs/dbraw/zinc/81/26/20/1075812620.db2.gz CSXUYSKPGIAOIK-CYBMUJFWSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC001581822109 1075813011 /nfs/dbraw/zinc/81/30/11/1075813011.db2.gz CSXUYSKPGIAOIK-ZDUSSCGKSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC001581822109 1075813007 /nfs/dbraw/zinc/81/30/07/1075813007.db2.gz CSXUYSKPGIAOIK-ZDUSSCGKSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)ccc1=O ZINC001581822249 1075812967 /nfs/dbraw/zinc/81/29/67/1075812967.db2.gz KDBRPJOLQOLIAY-GFCCVEGCSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)ccc1=O ZINC001581822249 1075812963 /nfs/dbraw/zinc/81/29/63/1075812963.db2.gz KDBRPJOLQOLIAY-GFCCVEGCSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)ccc1=O ZINC001581822250 1075812913 /nfs/dbraw/zinc/81/29/13/1075812913.db2.gz KDBRPJOLQOLIAY-LBPRGKRZSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)ccc1=O ZINC001581822250 1075812909 /nfs/dbraw/zinc/81/29/09/1075812909.db2.gz KDBRPJOLQOLIAY-LBPRGKRZSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC001581822606 1075813200 /nfs/dbraw/zinc/81/32/00/1075813200.db2.gz VYRRUOROWMRAMD-CYBMUJFWSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC001581822606 1075813195 /nfs/dbraw/zinc/81/31/95/1075813195.db2.gz VYRRUOROWMRAMD-CYBMUJFWSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC001581822607 1075813341 /nfs/dbraw/zinc/81/33/41/1075813341.db2.gz VYRRUOROWMRAMD-ZDUSSCGKSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC001581822607 1075813338 /nfs/dbraw/zinc/81/33/38/1075813338.db2.gz VYRRUOROWMRAMD-ZDUSSCGKSA-N 0 3 384.400 -1.159 20 0 GAADHN Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC001581842093 1075820570 /nfs/dbraw/zinc/82/05/70/1075820570.db2.gz CPTGNIAKWZREEO-SECBINFHSA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC001581842093 1075820567 /nfs/dbraw/zinc/82/05/67/1075820567.db2.gz CPTGNIAKWZREEO-SECBINFHSA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC001581842094 1075820493 /nfs/dbraw/zinc/82/04/93/1075820493.db2.gz CPTGNIAKWZREEO-VIFPVBQESA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC001581842094 1075820488 /nfs/dbraw/zinc/82/04/88/1075820488.db2.gz CPTGNIAKWZREEO-VIFPVBQESA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@@H](O)CNCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581842136 1075820945 /nfs/dbraw/zinc/82/09/45/1075820945.db2.gz DPUJOVJSMHJYAK-JTQLQIEISA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@H](O)CNCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581842137 1075820888 /nfs/dbraw/zinc/82/08/88/1075820888.db2.gz DPUJOVJSMHJYAK-SNVBAGLBSA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC001581842506 1075821581 /nfs/dbraw/zinc/82/15/81/1075821581.db2.gz OYMZYVLKENWIEU-JTQLQIEISA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC001581842506 1075821578 /nfs/dbraw/zinc/82/15/78/1075821578.db2.gz OYMZYVLKENWIEU-JTQLQIEISA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC001581842507 1075821480 /nfs/dbraw/zinc/82/14/80/1075821480.db2.gz OYMZYVLKENWIEU-SNVBAGLBSA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC001581842507 1075821479 /nfs/dbraw/zinc/82/14/79/1075821479.db2.gz OYMZYVLKENWIEU-SNVBAGLBSA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC001581842772 1075822381 /nfs/dbraw/zinc/82/23/81/1075822381.db2.gz XYDKPPIJJQJWFL-SECBINFHSA-N 0 3 376.356 -1.590 20 0 GAADHN Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC001581842773 1075822350 /nfs/dbraw/zinc/82/23/50/1075822350.db2.gz XYDKPPIJJQJWFL-VIFPVBQESA-N 0 3 376.356 -1.590 20 0 GAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001581896344 1075831909 /nfs/dbraw/zinc/83/19/09/1075831909.db2.gz UXTRHMFCTGXSRD-JSGCOSHPSA-N 0 3 388.432 -1.024 20 0 GAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001581896344 1075831907 /nfs/dbraw/zinc/83/19/07/1075831907.db2.gz UXTRHMFCTGXSRD-JSGCOSHPSA-N 0 3 388.432 -1.024 20 0 GAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001581896345 1075831902 /nfs/dbraw/zinc/83/19/02/1075831902.db2.gz UXTRHMFCTGXSRD-OCCSQVGLSA-N 0 3 388.432 -1.024 20 0 GAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001581896345 1075831900 /nfs/dbraw/zinc/83/19/00/1075831900.db2.gz UXTRHMFCTGXSRD-OCCSQVGLSA-N 0 3 388.432 -1.024 20 0 GAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581896437 1075832393 /nfs/dbraw/zinc/83/23/93/1075832393.db2.gz YPORUNLTUJOVNQ-KBPBESRZSA-N 0 3 388.432 -1.024 20 0 GAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001581896437 1075832386 /nfs/dbraw/zinc/83/23/86/1075832386.db2.gz YPORUNLTUJOVNQ-KBPBESRZSA-N 0 3 388.432 -1.024 20 0 GAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581896438 1075832352 /nfs/dbraw/zinc/83/23/52/1075832352.db2.gz YPORUNLTUJOVNQ-KGLIPLIRSA-N 0 3 388.432 -1.024 20 0 GAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001581896438 1075832346 /nfs/dbraw/zinc/83/23/46/1075832346.db2.gz YPORUNLTUJOVNQ-KGLIPLIRSA-N 0 3 388.432 -1.024 20 0 GAADHN NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001581898096 1075834649 /nfs/dbraw/zinc/83/46/49/1075834649.db2.gz MLGCMJRKSVVWSN-KRWDZBQOSA-N 0 3 388.432 -1.022 20 0 GAADHN NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001581898096 1075834646 /nfs/dbraw/zinc/83/46/46/1075834646.db2.gz MLGCMJRKSVVWSN-KRWDZBQOSA-N 0 3 388.432 -1.022 20 0 GAADHN NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001581898096 1075834643 /nfs/dbraw/zinc/83/46/43/1075834643.db2.gz MLGCMJRKSVVWSN-KRWDZBQOSA-N 0 3 388.432 -1.022 20 0 GAADHN NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001581898096 1075834639 /nfs/dbraw/zinc/83/46/39/1075834639.db2.gz MLGCMJRKSVVWSN-KRWDZBQOSA-N 0 3 388.432 -1.022 20 0 GAADHN NC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001581898097 1075834628 /nfs/dbraw/zinc/83/46/28/1075834628.db2.gz MLGCMJRKSVVWSN-QGZVFWFLSA-N 0 3 388.432 -1.022 20 0 GAADHN NC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001581898097 1075834624 /nfs/dbraw/zinc/83/46/24/1075834624.db2.gz MLGCMJRKSVVWSN-QGZVFWFLSA-N 0 3 388.432 -1.022 20 0 GAADHN NC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001581898097 1075834621 /nfs/dbraw/zinc/83/46/21/1075834621.db2.gz MLGCMJRKSVVWSN-QGZVFWFLSA-N 0 3 388.432 -1.022 20 0 GAADHN NC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001581898097 1075834620 /nfs/dbraw/zinc/83/46/20/1075834620.db2.gz MLGCMJRKSVVWSN-QGZVFWFLSA-N 0 3 388.432 -1.022 20 0 GAADHN NC(=O)NCCC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001581898895 1075835060 /nfs/dbraw/zinc/83/50/60/1075835060.db2.gz YSHXEGJFSJLLKW-UHFFFAOYSA-N 0 3 388.436 -1.442 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001581900853 1075836399 /nfs/dbraw/zinc/83/63/99/1075836399.db2.gz ALUCEXGAUZPZEN-NEPJUHHUSA-N 0 3 385.432 -1.379 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001581901207 1075836698 /nfs/dbraw/zinc/83/66/98/1075836698.db2.gz KDRRGSMMRPQAGA-AXFHLTTASA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001581901207 1075836694 /nfs/dbraw/zinc/83/66/94/1075836694.db2.gz KDRRGSMMRPQAGA-AXFHLTTASA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001581901208 1075836642 /nfs/dbraw/zinc/83/66/42/1075836642.db2.gz KDRRGSMMRPQAGA-MXWKQRLJSA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001581901208 1075836636 /nfs/dbraw/zinc/83/66/36/1075836636.db2.gz KDRRGSMMRPQAGA-MXWKQRLJSA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001581901236 1075836795 /nfs/dbraw/zinc/83/67/95/1075836795.db2.gz LQIAFOVABGJWPT-RTXFEEFZSA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001581901236 1075836789 /nfs/dbraw/zinc/83/67/89/1075836789.db2.gz LQIAFOVABGJWPT-RTXFEEFZSA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001581901237 1075836732 /nfs/dbraw/zinc/83/67/32/1075836732.db2.gz LQIAFOVABGJWPT-UHTWSYAYSA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001581901237 1075836727 /nfs/dbraw/zinc/83/67/27/1075836727.db2.gz LQIAFOVABGJWPT-UHTWSYAYSA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001581901457 1075836936 /nfs/dbraw/zinc/83/69/36/1075836936.db2.gz SFWCSBGLKIHFGU-AXFHLTTASA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001581901458 1075836926 /nfs/dbraw/zinc/83/69/26/1075836926.db2.gz SFWCSBGLKIHFGU-MXWKQRLJSA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001581901712 1075837124 /nfs/dbraw/zinc/83/71/24/1075837124.db2.gz ZASUXYCEJCDCBR-JLLWLGSASA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001581901713 1075837081 /nfs/dbraw/zinc/83/70/81/1075837081.db2.gz ZASUXYCEJCDCBR-WCQGTBRESA-N 0 3 377.380 -1.306 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)O1 ZINC001581902548 1075838242 /nfs/dbraw/zinc/83/82/42/1075838242.db2.gz UFYYBWUXCBPONN-FPMFFAJLSA-N 0 3 389.416 -1.534 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)O1 ZINC001581902548 1075838238 /nfs/dbraw/zinc/83/82/38/1075838238.db2.gz UFYYBWUXCBPONN-FPMFFAJLSA-N 0 3 389.416 -1.534 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)O1 ZINC001581902549 1075838180 /nfs/dbraw/zinc/83/81/80/1075838180.db2.gz UFYYBWUXCBPONN-KWCYVHTRSA-N 0 3 389.416 -1.534 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)O1 ZINC001581902549 1075838175 /nfs/dbraw/zinc/83/81/75/1075838175.db2.gz UFYYBWUXCBPONN-KWCYVHTRSA-N 0 3 389.416 -1.534 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001581902911 1075838225 /nfs/dbraw/zinc/83/82/25/1075838225.db2.gz ZGDUGLFWUFLADU-HZSPNIEDSA-N 0 3 389.416 -1.534 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC001581902911 1075838215 /nfs/dbraw/zinc/83/82/15/1075838215.db2.gz ZGDUGLFWUFLADU-HZSPNIEDSA-N 0 3 389.416 -1.534 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001581902912 1075838082 /nfs/dbraw/zinc/83/80/82/1075838082.db2.gz ZGDUGLFWUFLADU-MELADBBJSA-N 0 3 389.416 -1.534 20 0 GAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC001581902912 1075838077 /nfs/dbraw/zinc/83/80/77/1075838077.db2.gz ZGDUGLFWUFLADU-MELADBBJSA-N 0 3 389.416 -1.534 20 0 GAADHN NC(=O)c1ncn(CC(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC001581906335 1075838640 /nfs/dbraw/zinc/83/86/40/1075838640.db2.gz NWGBKECXKJJCDG-UHFFFAOYSA-N 0 3 388.367 -1.398 20 0 GAADHN O=C(CCN1CCOCC1)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@@H]1O ZINC001582052840 1075853424 /nfs/dbraw/zinc/85/34/24/1075853424.db2.gz IIOJFBDCFGLGAY-HIFRSBDPSA-N 0 3 388.432 -1.350 20 0 GAADHN O=C(CCn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001582094756 1075864893 /nfs/dbraw/zinc/86/48/93/1075864893.db2.gz BXQHXGUKDDADDZ-SECBINFHSA-N 0 3 378.422 -1.428 20 0 GAADHN O=C(CCn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001582094757 1075864874 /nfs/dbraw/zinc/86/48/74/1075864874.db2.gz BXQHXGUKDDADDZ-VIFPVBQESA-N 0 3 378.422 -1.428 20 0 GAADHN O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582094943 1075865599 /nfs/dbraw/zinc/86/55/99/1075865599.db2.gz HLLHHKRMXIJMHW-LLVKDONJSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582094943 1075865597 /nfs/dbraw/zinc/86/55/97/1075865597.db2.gz HLLHHKRMXIJMHW-LLVKDONJSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582094944 1075865652 /nfs/dbraw/zinc/86/56/52/1075865652.db2.gz HLLHHKRMXIJMHW-NSHDSACASA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582094944 1075865651 /nfs/dbraw/zinc/86/56/51/1075865651.db2.gz HLLHHKRMXIJMHW-NSHDSACASA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001582095236 1075865898 /nfs/dbraw/zinc/86/58/98/1075865898.db2.gz NEWGLHSITQXYHX-GFCCVEGCSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001582095236 1075865894 /nfs/dbraw/zinc/86/58/94/1075865894.db2.gz NEWGLHSITQXYHX-GFCCVEGCSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001582095237 1075865944 /nfs/dbraw/zinc/86/59/44/1075865944.db2.gz NEWGLHSITQXYHX-LBPRGKRZSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001582095237 1075865942 /nfs/dbraw/zinc/86/59/42/1075865942.db2.gz NEWGLHSITQXYHX-LBPRGKRZSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001582095537 1075866188 /nfs/dbraw/zinc/86/61/88/1075866188.db2.gz RCJWNRBJGMYCSA-GFCCVEGCSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001582095538 1075866341 /nfs/dbraw/zinc/86/63/41/1075866341.db2.gz RCJWNRBJGMYCSA-LBPRGKRZSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582096065 1075866990 /nfs/dbraw/zinc/86/69/90/1075866990.db2.gz WXCSXADOYSVMHS-LLVKDONJSA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582096066 1075866951 /nfs/dbraw/zinc/86/69/51/1075866951.db2.gz WXCSXADOYSVMHS-NSHDSACASA-N 0 3 390.383 -1.351 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582096526 1075868087 /nfs/dbraw/zinc/86/80/87/1075868087.db2.gz UYPRXMQDNCRTDX-UHFFFAOYSA-N 0 3 376.352 -1.237 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582096526 1075868083 /nfs/dbraw/zinc/86/80/83/1075868083.db2.gz UYPRXMQDNCRTDX-UHFFFAOYSA-N 0 3 376.352 -1.237 20 0 GAADHN O=C(CN1CCCNC1=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001582102613 1075872134 /nfs/dbraw/zinc/87/21/34/1075872134.db2.gz DTHLVDDGKGQCOP-CYBMUJFWSA-N 0 3 388.432 -1.151 20 0 GAADHN O=C(CN1CCCNC1=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001582102613 1075872129 /nfs/dbraw/zinc/87/21/29/1075872129.db2.gz DTHLVDDGKGQCOP-CYBMUJFWSA-N 0 3 388.432 -1.151 20 0 GAADHN O=C(CN1CCCNC1=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001582102615 1075872261 /nfs/dbraw/zinc/87/22/61/1075872261.db2.gz DTHLVDDGKGQCOP-ZDUSSCGKSA-N 0 3 388.432 -1.151 20 0 GAADHN O=C(CN1CCCNC1=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001582102615 1075872256 /nfs/dbraw/zinc/87/22/56/1075872256.db2.gz DTHLVDDGKGQCOP-ZDUSSCGKSA-N 0 3 388.432 -1.151 20 0 GAADHN O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582104148 1075874079 /nfs/dbraw/zinc/87/40/79/1075874079.db2.gz MNEYBQNLWDGFHD-UHFFFAOYSA-N 0 3 376.396 -1.357 20 0 GAADHN O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001582104584 1075874971 /nfs/dbraw/zinc/87/49/71/1075874971.db2.gz GCKUOZZRQWWXGE-HNNXBMFYSA-N 0 3 375.433 -1.234 20 0 GAADHN O=C(CN1CCOCC1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001582104585 1075875045 /nfs/dbraw/zinc/87/50/45/1075875045.db2.gz GCKUOZZRQWWXGE-OAHLLOKOSA-N 0 3 375.433 -1.234 20 0 GAADHN O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001582104846 1075875677 /nfs/dbraw/zinc/87/56/77/1075875677.db2.gz NEBXPWITIXRBIG-AWEZNQCLSA-N 0 3 375.433 -1.234 20 0 GAADHN O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001582104846 1075875672 /nfs/dbraw/zinc/87/56/72/1075875672.db2.gz NEBXPWITIXRBIG-AWEZNQCLSA-N 0 3 375.433 -1.234 20 0 GAADHN O=C(CN1CCOCC1)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001582104847 1075875594 /nfs/dbraw/zinc/87/55/94/1075875594.db2.gz NEBXPWITIXRBIG-CQSZACIVSA-N 0 3 375.433 -1.234 20 0 GAADHN O=C(CN1CCOCC1)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001582104847 1075875591 /nfs/dbraw/zinc/87/55/91/1075875591.db2.gz NEBXPWITIXRBIG-CQSZACIVSA-N 0 3 375.433 -1.234 20 0 GAADHN O=C(CN1CCOCC1=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001582106458 1075879555 /nfs/dbraw/zinc/87/95/55/1075879555.db2.gz WKUUFBQVKJOPRS-CYBMUJFWSA-N 0 3 389.416 -1.708 20 0 GAADHN O=C(CN1CCOCC1=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001582106458 1075879549 /nfs/dbraw/zinc/87/95/49/1075879549.db2.gz WKUUFBQVKJOPRS-CYBMUJFWSA-N 0 3 389.416 -1.708 20 0 GAADHN O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001582106459 1075879566 /nfs/dbraw/zinc/87/95/66/1075879566.db2.gz WKUUFBQVKJOPRS-ZDUSSCGKSA-N 0 3 389.416 -1.708 20 0 GAADHN O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001582106459 1075879562 /nfs/dbraw/zinc/87/95/62/1075879562.db2.gz WKUUFBQVKJOPRS-ZDUSSCGKSA-N 0 3 389.416 -1.708 20 0 GAADHN O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001582106471 1075879523 /nfs/dbraw/zinc/87/95/23/1075879523.db2.gz XFOAPMBCYJFWSU-AWEZNQCLSA-N 0 3 389.416 -1.708 20 0 GAADHN O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001582106471 1075879516 /nfs/dbraw/zinc/87/95/16/1075879516.db2.gz XFOAPMBCYJFWSU-AWEZNQCLSA-N 0 3 389.416 -1.708 20 0 GAADHN O=C(CN1CCOCC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001582106472 1075879428 /nfs/dbraw/zinc/87/94/28/1075879428.db2.gz XFOAPMBCYJFWSU-CQSZACIVSA-N 0 3 389.416 -1.708 20 0 GAADHN O=C(CN1CCOCC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001582106472 1075879424 /nfs/dbraw/zinc/87/94/24/1075879424.db2.gz XFOAPMBCYJFWSU-CQSZACIVSA-N 0 3 389.416 -1.708 20 0 GAADHN O=C(C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)N1CCC1 ZINC001582112119 1075883772 /nfs/dbraw/zinc/88/37/72/1075883772.db2.gz QKTOXFJPTJCNIW-UHFFFAOYSA-N 0 3 388.432 -1.016 20 0 GAADHN O=C(Cc1nc[nH]n1)NC[C@H](CO)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001582180723 1075890859 /nfs/dbraw/zinc/89/08/59/1075890859.db2.gz SPFVMSUTIPAOHY-LLVKDONJSA-N 0 3 375.368 -1.067 20 0 GAADHN O=C(Cc1nc[nH]n1)NC[C@@H](CO)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001582180724 1075890826 /nfs/dbraw/zinc/89/08/26/1075890826.db2.gz SPFVMSUTIPAOHY-NSHDSACASA-N 0 3 375.368 -1.067 20 0 GAADHN O=C(Cn1cncn1)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001582200617 1075901043 /nfs/dbraw/zinc/90/10/43/1075901043.db2.gz BETSXZXJNNEYKN-GFCCVEGCSA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001582200618 1075900875 /nfs/dbraw/zinc/90/08/75/1075900875.db2.gz BETSXZXJNNEYKN-LBPRGKRZSA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001582200645 1075900968 /nfs/dbraw/zinc/90/09/68/1075900968.db2.gz BUGYZWOJLRURFC-GFCCVEGCSA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001582200645 1075900964 /nfs/dbraw/zinc/90/09/64/1075900964.db2.gz BUGYZWOJLRURFC-GFCCVEGCSA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001582200646 1075900926 /nfs/dbraw/zinc/90/09/26/1075900926.db2.gz BUGYZWOJLRURFC-LBPRGKRZSA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001582200646 1075900921 /nfs/dbraw/zinc/90/09/21/1075900921.db2.gz BUGYZWOJLRURFC-LBPRGKRZSA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582200897 1075900936 /nfs/dbraw/zinc/90/09/36/1075900936.db2.gz KTOSBEJIJCVTMO-LLVKDONJSA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582200897 1075900932 /nfs/dbraw/zinc/90/09/32/1075900932.db2.gz KTOSBEJIJCVTMO-LLVKDONJSA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582200898 1075901093 /nfs/dbraw/zinc/90/10/93/1075901093.db2.gz KTOSBEJIJCVTMO-NSHDSACASA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582200898 1075901086 /nfs/dbraw/zinc/90/10/86/1075901086.db2.gz KTOSBEJIJCVTMO-NSHDSACASA-N 0 3 375.368 -1.136 20 0 GAADHN O=C(Cn1cncn1)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001582201610 1075902249 /nfs/dbraw/zinc/90/22/49/1075902249.db2.gz IBFIPXIVHTXNLS-UHFFFAOYSA-N 0 3 383.420 -1.208 20 0 GAADHN O=C(Cn1cnnn1)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582201836 1075902920 /nfs/dbraw/zinc/90/29/20/1075902920.db2.gz TZSJARDPRHYMGK-UHFFFAOYSA-N 0 3 390.383 -1.397 20 0 GAADHN O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582202487 1075905270 /nfs/dbraw/zinc/90/52/70/1075905270.db2.gz YLCBCBWLOJBKQA-AWEZNQCLSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582202487 1075905266 /nfs/dbraw/zinc/90/52/66/1075905266.db2.gz YLCBCBWLOJBKQA-AWEZNQCLSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582202488 1075905846 /nfs/dbraw/zinc/90/58/46/1075905846.db2.gz YLCBCBWLOJBKQA-CQSZACIVSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582202488 1075905839 /nfs/dbraw/zinc/90/58/39/1075905839.db2.gz YLCBCBWLOJBKQA-CQSZACIVSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1cnnn1)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001582203137 1075905798 /nfs/dbraw/zinc/90/57/98/1075905798.db2.gz IPGJGZCIEXDANK-UHFFFAOYSA-N 0 3 384.408 -1.813 20 0 GAADHN O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582204161 1075906933 /nfs/dbraw/zinc/90/69/33/1075906933.db2.gz DGKZZHJKYQKDKS-JTQLQIEISA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582204162 1075906810 /nfs/dbraw/zinc/90/68/10/1075906810.db2.gz DGKZZHJKYQKDKS-SNVBAGLBSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001582204293 1075907789 /nfs/dbraw/zinc/90/77/89/1075907789.db2.gz IELKQLCPHLXUFZ-LLVKDONJSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001582204294 1075907801 /nfs/dbraw/zinc/90/78/01/1075907801.db2.gz IELKQLCPHLXUFZ-NSHDSACASA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001582204295 1075907816 /nfs/dbraw/zinc/90/78/16/1075907816.db2.gz IESVBNJMWAGGHY-LLVKDONJSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001582204295 1075907812 /nfs/dbraw/zinc/90/78/12/1075907812.db2.gz IESVBNJMWAGGHY-LLVKDONJSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001582204296 1075907749 /nfs/dbraw/zinc/90/77/49/1075907749.db2.gz IESVBNJMWAGGHY-NSHDSACASA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001582204296 1075907745 /nfs/dbraw/zinc/90/77/45/1075907745.db2.gz IESVBNJMWAGGHY-NSHDSACASA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582204676 1075909088 /nfs/dbraw/zinc/90/90/88/1075909088.db2.gz QMUVJFBNFQUMRE-JTQLQIEISA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582204676 1075909084 /nfs/dbraw/zinc/90/90/84/1075909084.db2.gz QMUVJFBNFQUMRE-JTQLQIEISA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582204677 1075909067 /nfs/dbraw/zinc/90/90/67/1075909067.db2.gz QMUVJFBNFQUMRE-SNVBAGLBSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582204677 1075909063 /nfs/dbraw/zinc/90/90/63/1075909063.db2.gz QMUVJFBNFQUMRE-SNVBAGLBSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001582205640 1075912387 /nfs/dbraw/zinc/91/23/87/1075912387.db2.gz CFRSCXJKDNFIRH-LLVKDONJSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001582205641 1075912607 /nfs/dbraw/zinc/91/26/07/1075912607.db2.gz CFRSCXJKDNFIRH-NSHDSACASA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001582205651 1075912527 /nfs/dbraw/zinc/91/25/27/1075912527.db2.gz CSMXQLFAOBBPGH-INIZCTEOSA-N 0 3 384.404 -1.394 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001582205651 1075912522 /nfs/dbraw/zinc/91/25/22/1075912522.db2.gz CSMXQLFAOBBPGH-INIZCTEOSA-N 0 3 384.404 -1.394 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001582205651 1075912518 /nfs/dbraw/zinc/91/25/18/1075912518.db2.gz CSMXQLFAOBBPGH-INIZCTEOSA-N 0 3 384.404 -1.394 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001582205651 1075912513 /nfs/dbraw/zinc/91/25/13/1075912513.db2.gz CSMXQLFAOBBPGH-INIZCTEOSA-N 0 3 384.404 -1.394 20 0 GAADHN O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001582205652 1075912581 /nfs/dbraw/zinc/91/25/81/1075912581.db2.gz CSMXQLFAOBBPGH-MRXNPFEDSA-N 0 3 384.404 -1.394 20 0 GAADHN O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001582205652 1075912576 /nfs/dbraw/zinc/91/25/76/1075912576.db2.gz CSMXQLFAOBBPGH-MRXNPFEDSA-N 0 3 384.404 -1.394 20 0 GAADHN O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001582205652 1075912572 /nfs/dbraw/zinc/91/25/72/1075912572.db2.gz CSMXQLFAOBBPGH-MRXNPFEDSA-N 0 3 384.404 -1.394 20 0 GAADHN O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001582205652 1075912566 /nfs/dbraw/zinc/91/25/66/1075912566.db2.gz CSMXQLFAOBBPGH-MRXNPFEDSA-N 0 3 384.404 -1.394 20 0 GAADHN O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001582205809 1075913081 /nfs/dbraw/zinc/91/30/81/1075913081.db2.gz IDBNECUNUZWZCZ-LLVKDONJSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001582205809 1075913077 /nfs/dbraw/zinc/91/30/77/1075913077.db2.gz IDBNECUNUZWZCZ-LLVKDONJSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001582205810 1075913066 /nfs/dbraw/zinc/91/30/66/1075913066.db2.gz IDBNECUNUZWZCZ-NSHDSACASA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001582205810 1075913060 /nfs/dbraw/zinc/91/30/60/1075913060.db2.gz IDBNECUNUZWZCZ-NSHDSACASA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582206194 1075913553 /nfs/dbraw/zinc/91/35/53/1075913553.db2.gz NGNDKQHLDWWNPO-JTQLQIEISA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582206195 1075913508 /nfs/dbraw/zinc/91/35/08/1075913508.db2.gz NGNDKQHLDWWNPO-SNVBAGLBSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582206418 1075913994 /nfs/dbraw/zinc/91/39/94/1075913994.db2.gz RKPVLVVUJJCLSX-JTQLQIEISA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582206418 1075913991 /nfs/dbraw/zinc/91/39/91/1075913991.db2.gz RKPVLVVUJJCLSX-JTQLQIEISA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001582206419 1075913928 /nfs/dbraw/zinc/91/39/28/1075913928.db2.gz RKPVLVVUJJCLSX-SNVBAGLBSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001582206419 1075913923 /nfs/dbraw/zinc/91/39/23/1075913923.db2.gz RKPVLVVUJJCLSX-SNVBAGLBSA-N 0 3 376.356 -1.741 20 0 GAADHN O=C(Cn1ncnn1)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001582207556 1075915909 /nfs/dbraw/zinc/91/59/09/1075915909.db2.gz VCLBKYYFEXWAIQ-UHFFFAOYSA-N 0 3 384.408 -1.813 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582230393 1075916662 /nfs/dbraw/zinc/91/66/62/1075916662.db2.gz CZPQOPSGAHYNEP-NEPJUHHUSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582230393 1075916660 /nfs/dbraw/zinc/91/66/60/1075916660.db2.gz CZPQOPSGAHYNEP-NEPJUHHUSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582230394 1075917162 /nfs/dbraw/zinc/91/71/62/1075917162.db2.gz CZPQOPSGAHYNEP-NWDGAFQWSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582230394 1075917159 /nfs/dbraw/zinc/91/71/59/1075917159.db2.gz CZPQOPSGAHYNEP-NWDGAFQWSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582230395 1075917320 /nfs/dbraw/zinc/91/73/20/1075917320.db2.gz CZPQOPSGAHYNEP-RYUDHWBXSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582230395 1075917317 /nfs/dbraw/zinc/91/73/17/1075917317.db2.gz CZPQOPSGAHYNEP-RYUDHWBXSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582230396 1075917034 /nfs/dbraw/zinc/91/70/34/1075917034.db2.gz CZPQOPSGAHYNEP-VXGBXAGGSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582230396 1075917032 /nfs/dbraw/zinc/91/70/32/1075917032.db2.gz CZPQOPSGAHYNEP-VXGBXAGGSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582230640 1075917307 /nfs/dbraw/zinc/91/73/07/1075917307.db2.gz ITZHTPPHFLGTKZ-CHWSQXEVSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582230640 1075917301 /nfs/dbraw/zinc/91/73/01/1075917301.db2.gz ITZHTPPHFLGTKZ-CHWSQXEVSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582230641 1075917145 /nfs/dbraw/zinc/91/71/45/1075917145.db2.gz ITZHTPPHFLGTKZ-OLZOCXBDSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582230641 1075917141 /nfs/dbraw/zinc/91/71/41/1075917141.db2.gz ITZHTPPHFLGTKZ-OLZOCXBDSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582230642 1075917062 /nfs/dbraw/zinc/91/70/62/1075917062.db2.gz ITZHTPPHFLGTKZ-QWHCGFSZSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582230642 1075917058 /nfs/dbraw/zinc/91/70/58/1075917058.db2.gz ITZHTPPHFLGTKZ-QWHCGFSZSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582230643 1075917284 /nfs/dbraw/zinc/91/72/84/1075917284.db2.gz ITZHTPPHFLGTKZ-STQMWFEESA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582230643 1075917277 /nfs/dbraw/zinc/91/72/77/1075917277.db2.gz ITZHTPPHFLGTKZ-STQMWFEESA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582230647 1075917094 /nfs/dbraw/zinc/91/70/94/1075917094.db2.gz IYNLRYKJBGQUFZ-CHWSQXEVSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582230647 1075917091 /nfs/dbraw/zinc/91/70/91/1075917091.db2.gz IYNLRYKJBGQUFZ-CHWSQXEVSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582230648 1075917044 /nfs/dbraw/zinc/91/70/44/1075917044.db2.gz IYNLRYKJBGQUFZ-OLZOCXBDSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582230648 1075917041 /nfs/dbraw/zinc/91/70/41/1075917041.db2.gz IYNLRYKJBGQUFZ-OLZOCXBDSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582230649 1075917107 /nfs/dbraw/zinc/91/71/07/1075917107.db2.gz IYNLRYKJBGQUFZ-QWHCGFSZSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582230649 1075917102 /nfs/dbraw/zinc/91/71/02/1075917102.db2.gz IYNLRYKJBGQUFZ-QWHCGFSZSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582230650 1075917180 /nfs/dbraw/zinc/91/71/80/1075917180.db2.gz IYNLRYKJBGQUFZ-STQMWFEESA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582230650 1075917172 /nfs/dbraw/zinc/91/71/72/1075917172.db2.gz IYNLRYKJBGQUFZ-STQMWFEESA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582340670 1075935750 /nfs/dbraw/zinc/93/57/50/1075935750.db2.gz MSRVNQKESOKRTM-GHMZBOCLSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582340671 1075935848 /nfs/dbraw/zinc/93/58/48/1075935848.db2.gz MSRVNQKESOKRTM-MNOVXSKESA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582340673 1075935827 /nfs/dbraw/zinc/93/58/27/1075935827.db2.gz MSRVNQKESOKRTM-QWRGUYRKSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582340675 1075935804 /nfs/dbraw/zinc/93/58/04/1075935804.db2.gz MSRVNQKESOKRTM-WDEREUQCSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582341501 1075936160 /nfs/dbraw/zinc/93/61/60/1075936160.db2.gz VBXLTNUFHLCOQZ-NEPJUHHUSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582341502 1075936186 /nfs/dbraw/zinc/93/61/86/1075936186.db2.gz VBXLTNUFHLCOQZ-NWDGAFQWSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582341504 1075936228 /nfs/dbraw/zinc/93/62/28/1075936228.db2.gz VBXLTNUFHLCOQZ-RYUDHWBXSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582341505 1075936222 /nfs/dbraw/zinc/93/62/22/1075936222.db2.gz VBXLTNUFHLCOQZ-VXGBXAGGSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582341519 1075936119 /nfs/dbraw/zinc/93/61/19/1075936119.db2.gz VFDJNCKCINGXCM-NEPJUHHUSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582341519 1075936118 /nfs/dbraw/zinc/93/61/18/1075936118.db2.gz VFDJNCKCINGXCM-NEPJUHHUSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582341522 1075936239 /nfs/dbraw/zinc/93/62/39/1075936239.db2.gz VFDJNCKCINGXCM-NWDGAFQWSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582341522 1075936235 /nfs/dbraw/zinc/93/62/35/1075936235.db2.gz VFDJNCKCINGXCM-NWDGAFQWSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582341524 1075936152 /nfs/dbraw/zinc/93/61/52/1075936152.db2.gz VFDJNCKCINGXCM-RYUDHWBXSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582341524 1075936148 /nfs/dbraw/zinc/93/61/48/1075936148.db2.gz VFDJNCKCINGXCM-RYUDHWBXSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582341526 1075936128 /nfs/dbraw/zinc/93/61/28/1075936128.db2.gz VFDJNCKCINGXCM-VXGBXAGGSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582341526 1075936122 /nfs/dbraw/zinc/93/61/22/1075936122.db2.gz VFDJNCKCINGXCM-VXGBXAGGSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582341540 1075936276 /nfs/dbraw/zinc/93/62/76/1075936276.db2.gz VOXVNGNEZHXKGK-CHWSQXEVSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582341540 1075936271 /nfs/dbraw/zinc/93/62/71/1075936271.db2.gz VOXVNGNEZHXKGK-CHWSQXEVSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582341542 1075936179 /nfs/dbraw/zinc/93/61/79/1075936179.db2.gz VOXVNGNEZHXKGK-OLZOCXBDSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582341542 1075936176 /nfs/dbraw/zinc/93/61/76/1075936176.db2.gz VOXVNGNEZHXKGK-OLZOCXBDSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582341544 1075936264 /nfs/dbraw/zinc/93/62/64/1075936264.db2.gz VOXVNGNEZHXKGK-QWHCGFSZSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582341544 1075936259 /nfs/dbraw/zinc/93/62/59/1075936259.db2.gz VOXVNGNEZHXKGK-QWHCGFSZSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582341547 1075936249 /nfs/dbraw/zinc/93/62/49/1075936249.db2.gz VOXVNGNEZHXKGK-STQMWFEESA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582341547 1075936246 /nfs/dbraw/zinc/93/62/46/1075936246.db2.gz VOXVNGNEZHXKGK-STQMWFEESA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582341850 1075937076 /nfs/dbraw/zinc/93/70/76/1075937076.db2.gz YXUNKJTVOSJYKH-NEPJUHHUSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582341852 1075937090 /nfs/dbraw/zinc/93/70/90/1075937090.db2.gz YXUNKJTVOSJYKH-NWDGAFQWSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582341853 1075936943 /nfs/dbraw/zinc/93/69/43/1075936943.db2.gz YXUNKJTVOSJYKH-RYUDHWBXSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582341854 1075937118 /nfs/dbraw/zinc/93/71/18/1075937118.db2.gz YXUNKJTVOSJYKH-VXGBXAGGSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1COCCO1 ZINC001582344964 1075937931 /nfs/dbraw/zinc/93/79/31/1075937931.db2.gz AOBOQITVTWEBKV-BXUZGUMPSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1COCCO1 ZINC001582344966 1075937924 /nfs/dbraw/zinc/93/79/24/1075937924.db2.gz AOBOQITVTWEBKV-FZMZJTMJSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1COCCO1 ZINC001582344968 1075937879 /nfs/dbraw/zinc/93/78/79/1075937879.db2.gz AOBOQITVTWEBKV-RISCZKNCSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1COCCO1 ZINC001582344970 1075937989 /nfs/dbraw/zinc/93/79/89/1075937989.db2.gz AOBOQITVTWEBKV-SMDDNHRTSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582358566 1075941953 /nfs/dbraw/zinc/94/19/53/1075941953.db2.gz RJIGEUIWJQQJPY-GFCCVEGCSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582358566 1075941949 /nfs/dbraw/zinc/94/19/49/1075941949.db2.gz RJIGEUIWJQQJPY-GFCCVEGCSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582358567 1075941919 /nfs/dbraw/zinc/94/19/19/1075941919.db2.gz RJIGEUIWJQQJPY-LBPRGKRZSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582358567 1075941915 /nfs/dbraw/zinc/94/19/15/1075941915.db2.gz RJIGEUIWJQQJPY-LBPRGKRZSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582366545 1075942685 /nfs/dbraw/zinc/94/26/85/1075942685.db2.gz IDRRFSMARNCKOD-GFCCVEGCSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582366545 1075942681 /nfs/dbraw/zinc/94/26/81/1075942681.db2.gz IDRRFSMARNCKOD-GFCCVEGCSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582366546 1075942750 /nfs/dbraw/zinc/94/27/50/1075942750.db2.gz IDRRFSMARNCKOD-LBPRGKRZSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582366546 1075942747 /nfs/dbraw/zinc/94/27/47/1075942747.db2.gz IDRRFSMARNCKOD-LBPRGKRZSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582366662 1075942846 /nfs/dbraw/zinc/94/28/46/1075942846.db2.gz KGIPXYZWKYYFQS-GXSJLCMTSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582366662 1075942841 /nfs/dbraw/zinc/94/28/41/1075942841.db2.gz KGIPXYZWKYYFQS-GXSJLCMTSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582366663 1075943263 /nfs/dbraw/zinc/94/32/63/1075943263.db2.gz KGIPXYZWKYYFQS-KOLCDFICSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582366663 1075943261 /nfs/dbraw/zinc/94/32/61/1075943261.db2.gz KGIPXYZWKYYFQS-KOLCDFICSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582366664 1075943320 /nfs/dbraw/zinc/94/33/20/1075943320.db2.gz KGIPXYZWKYYFQS-MWLCHTKSSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582366664 1075943317 /nfs/dbraw/zinc/94/33/17/1075943317.db2.gz KGIPXYZWKYYFQS-MWLCHTKSSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582366665 1075943292 /nfs/dbraw/zinc/94/32/92/1075943292.db2.gz KGIPXYZWKYYFQS-ONGXEEELSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582366665 1075943289 /nfs/dbraw/zinc/94/32/89/1075943289.db2.gz KGIPXYZWKYYFQS-ONGXEEELSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582367672 1075943520 /nfs/dbraw/zinc/94/35/20/1075943520.db2.gz RHDAEFDEMRTRCY-NEPJUHHUSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582367672 1075943517 /nfs/dbraw/zinc/94/35/17/1075943517.db2.gz RHDAEFDEMRTRCY-NEPJUHHUSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582367673 1075943556 /nfs/dbraw/zinc/94/35/56/1075943556.db2.gz RHDAEFDEMRTRCY-NWDGAFQWSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582367673 1075943553 /nfs/dbraw/zinc/94/35/53/1075943553.db2.gz RHDAEFDEMRTRCY-NWDGAFQWSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582367674 1075943531 /nfs/dbraw/zinc/94/35/31/1075943531.db2.gz RHDAEFDEMRTRCY-RYUDHWBXSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582367674 1075943528 /nfs/dbraw/zinc/94/35/28/1075943528.db2.gz RHDAEFDEMRTRCY-RYUDHWBXSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582367675 1075943510 /nfs/dbraw/zinc/94/35/10/1075943510.db2.gz RHDAEFDEMRTRCY-VXGBXAGGSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582367675 1075943507 /nfs/dbraw/zinc/94/35/07/1075943507.db2.gz RHDAEFDEMRTRCY-VXGBXAGGSA-N 0 3 388.432 -1.257 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582367708 1075943685 /nfs/dbraw/zinc/94/36/85/1075943685.db2.gz SJUKNSKJGHFVAR-GXSJLCMTSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582367708 1075943682 /nfs/dbraw/zinc/94/36/82/1075943682.db2.gz SJUKNSKJGHFVAR-GXSJLCMTSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582367709 1075943571 /nfs/dbraw/zinc/94/35/71/1075943571.db2.gz SJUKNSKJGHFVAR-KOLCDFICSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582367709 1075943566 /nfs/dbraw/zinc/94/35/66/1075943566.db2.gz SJUKNSKJGHFVAR-KOLCDFICSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582367710 1075943632 /nfs/dbraw/zinc/94/36/32/1075943632.db2.gz SJUKNSKJGHFVAR-MWLCHTKSSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582367710 1075943627 /nfs/dbraw/zinc/94/36/27/1075943627.db2.gz SJUKNSKJGHFVAR-MWLCHTKSSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582367711 1075943500 /nfs/dbraw/zinc/94/35/00/1075943500.db2.gz SJUKNSKJGHFVAR-ONGXEEELSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582367711 1075943497 /nfs/dbraw/zinc/94/34/97/1075943497.db2.gz SJUKNSKJGHFVAR-ONGXEEELSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582368010 1075944078 /nfs/dbraw/zinc/94/40/78/1075944078.db2.gz VDBFUEWCKMBZEK-NEPJUHHUSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582368010 1075944074 /nfs/dbraw/zinc/94/40/74/1075944074.db2.gz VDBFUEWCKMBZEK-NEPJUHHUSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582368011 1075943975 /nfs/dbraw/zinc/94/39/75/1075943975.db2.gz VDBFUEWCKMBZEK-NWDGAFQWSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582368011 1075943970 /nfs/dbraw/zinc/94/39/70/1075943970.db2.gz VDBFUEWCKMBZEK-NWDGAFQWSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582368012 1075943904 /nfs/dbraw/zinc/94/39/04/1075943904.db2.gz VDBFUEWCKMBZEK-RYUDHWBXSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582368012 1075943899 /nfs/dbraw/zinc/94/38/99/1075943899.db2.gz VDBFUEWCKMBZEK-RYUDHWBXSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582368013 1075943993 /nfs/dbraw/zinc/94/39/93/1075943993.db2.gz VDBFUEWCKMBZEK-VXGBXAGGSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582368013 1075943985 /nfs/dbraw/zinc/94/39/85/1075943985.db2.gz VDBFUEWCKMBZEK-VXGBXAGGSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582368368 1075944156 /nfs/dbraw/zinc/94/41/56/1075944156.db2.gz WNKFLDRWBSQSQU-GHMZBOCLSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582368368 1075944150 /nfs/dbraw/zinc/94/41/50/1075944150.db2.gz WNKFLDRWBSQSQU-GHMZBOCLSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582368369 1075944065 /nfs/dbraw/zinc/94/40/65/1075944065.db2.gz WNKFLDRWBSQSQU-MNOVXSKESA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582368369 1075944063 /nfs/dbraw/zinc/94/40/63/1075944063.db2.gz WNKFLDRWBSQSQU-MNOVXSKESA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582368370 1075944090 /nfs/dbraw/zinc/94/40/90/1075944090.db2.gz WNKFLDRWBSQSQU-QWRGUYRKSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582368370 1075944085 /nfs/dbraw/zinc/94/40/85/1075944085.db2.gz WNKFLDRWBSQSQU-QWRGUYRKSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582368371 1075944010 /nfs/dbraw/zinc/94/40/10/1075944010.db2.gz WNKFLDRWBSQSQU-WDEREUQCSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582368371 1075944006 /nfs/dbraw/zinc/94/40/06/1075944006.db2.gz WNKFLDRWBSQSQU-WDEREUQCSA-N 0 3 375.393 -1.867 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582368445 1075944140 /nfs/dbraw/zinc/94/41/40/1075944140.db2.gz XOEFVGNBXWSZTL-NXEZZACHSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582368445 1075944137 /nfs/dbraw/zinc/94/41/37/1075944137.db2.gz XOEFVGNBXWSZTL-NXEZZACHSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582368446 1075944056 /nfs/dbraw/zinc/94/40/56/1075944056.db2.gz XOEFVGNBXWSZTL-UWVGGRQHSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582368446 1075944052 /nfs/dbraw/zinc/94/40/52/1075944052.db2.gz XOEFVGNBXWSZTL-UWVGGRQHSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582368447 1075943925 /nfs/dbraw/zinc/94/39/25/1075943925.db2.gz XOEFVGNBXWSZTL-VHSXEESVSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582368447 1075943921 /nfs/dbraw/zinc/94/39/21/1075943921.db2.gz XOEFVGNBXWSZTL-VHSXEESVSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582368448 1075944101 /nfs/dbraw/zinc/94/41/01/1075944101.db2.gz XOEFVGNBXWSZTL-ZJUUUORDSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582368448 1075944098 /nfs/dbraw/zinc/94/40/98/1075944098.db2.gz XOEFVGNBXWSZTL-ZJUUUORDSA-N 0 3 383.434 -1.690 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1COCCO1 ZINC001582369944 1075944429 /nfs/dbraw/zinc/94/44/29/1075944429.db2.gz MBYJTUFLNSBNCE-BXUZGUMPSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1COCCO1 ZINC001582369945 1075944460 /nfs/dbraw/zinc/94/44/60/1075944460.db2.gz MBYJTUFLNSBNCE-FZMZJTMJSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1COCCO1 ZINC001582369946 1075944423 /nfs/dbraw/zinc/94/44/23/1075944423.db2.gz MBYJTUFLNSBNCE-RISCZKNCSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1COCCO1 ZINC001582369947 1075944355 /nfs/dbraw/zinc/94/43/55/1075944355.db2.gz MBYJTUFLNSBNCE-SMDDNHRTSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@H]1COCCO1 ZINC001582369978 1075944480 /nfs/dbraw/zinc/94/44/80/1075944480.db2.gz MOGHBPVUXYFEMB-GXTWGEPZSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1COCCO1 ZINC001582369978 1075944477 /nfs/dbraw/zinc/94/44/77/1075944477.db2.gz MOGHBPVUXYFEMB-GXTWGEPZSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1COCCO1 ZINC001582369979 1075944470 /nfs/dbraw/zinc/94/44/70/1075944470.db2.gz MOGHBPVUXYFEMB-JSGCOSHPSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1COCCO1 ZINC001582369979 1075944466 /nfs/dbraw/zinc/94/44/66/1075944466.db2.gz MOGHBPVUXYFEMB-JSGCOSHPSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1COCCO1 ZINC001582369980 1075944385 /nfs/dbraw/zinc/94/43/85/1075944385.db2.gz MOGHBPVUXYFEMB-OCCSQVGLSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1COCCO1 ZINC001582369980 1075944382 /nfs/dbraw/zinc/94/43/82/1075944382.db2.gz MOGHBPVUXYFEMB-OCCSQVGLSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@H]1COCCO1 ZINC001582369981 1075944364 /nfs/dbraw/zinc/94/43/64/1075944364.db2.gz MOGHBPVUXYFEMB-TZMCWYRMSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1COCCO1 ZINC001582369981 1075944361 /nfs/dbraw/zinc/94/43/61/1075944361.db2.gz MOGHBPVUXYFEMB-TZMCWYRMSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1c[nH]c(=O)cn1 ZINC001582370598 1075944752 /nfs/dbraw/zinc/94/47/52/1075944752.db2.gz XHSWOIIKGIEXQP-JTQLQIEISA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1c[nH]c(=O)cn1 ZINC001582370599 1075945026 /nfs/dbraw/zinc/94/50/26/1075945026.db2.gz XHSWOIIKGIEXQP-SNVBAGLBSA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)c1c[nH]c(=O)cn1 ZINC001582370604 1075944765 /nfs/dbraw/zinc/94/47/65/1075944765.db2.gz XLSRSQJUJGLPMR-LLVKDONJSA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)c1c[nH]c(=O)cn1 ZINC001582370604 1075944761 /nfs/dbraw/zinc/94/47/61/1075944761.db2.gz XLSRSQJUJGLPMR-LLVKDONJSA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)c1c[nH]c(=O)cn1 ZINC001582370605 1075944825 /nfs/dbraw/zinc/94/48/25/1075944825.db2.gz XLSRSQJUJGLPMR-NSHDSACASA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)c1c[nH]c(=O)cn1 ZINC001582370605 1075944818 /nfs/dbraw/zinc/94/48/18/1075944818.db2.gz XLSRSQJUJGLPMR-NSHDSACASA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1COCCO1 ZINC001582371266 1075944729 /nfs/dbraw/zinc/94/47/29/1075944729.db2.gz FAETYLJTOILQDJ-BXUZGUMPSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1COCCO1 ZINC001582371266 1075944724 /nfs/dbraw/zinc/94/47/24/1075944724.db2.gz FAETYLJTOILQDJ-BXUZGUMPSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1COCCO1 ZINC001582371267 1075944914 /nfs/dbraw/zinc/94/49/14/1075944914.db2.gz FAETYLJTOILQDJ-FZMZJTMJSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1COCCO1 ZINC001582371267 1075944909 /nfs/dbraw/zinc/94/49/09/1075944909.db2.gz FAETYLJTOILQDJ-FZMZJTMJSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1COCCO1 ZINC001582371268 1075944743 /nfs/dbraw/zinc/94/47/43/1075944743.db2.gz FAETYLJTOILQDJ-RISCZKNCSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1COCCO1 ZINC001582371268 1075944738 /nfs/dbraw/zinc/94/47/38/1075944738.db2.gz FAETYLJTOILQDJ-RISCZKNCSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1COCCO1 ZINC001582371269 1075944894 /nfs/dbraw/zinc/94/48/94/1075944894.db2.gz FAETYLJTOILQDJ-SMDDNHRTSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1COCCO1 ZINC001582371269 1075944881 /nfs/dbraw/zinc/94/48/81/1075944881.db2.gz FAETYLJTOILQDJ-SMDDNHRTSA-N 0 3 380.380 -1.012 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CS(=O)(=O)C1 ZINC001582371554 1075944775 /nfs/dbraw/zinc/94/47/75/1075944775.db2.gz HCQBNYOSQNTSCT-CYBMUJFWSA-N 0 3 380.430 -1.522 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CS(=O)(=O)C1 ZINC001582371555 1075944978 /nfs/dbraw/zinc/94/49/78/1075944978.db2.gz HCQBNYOSQNTSCT-ZDUSSCGKSA-N 0 3 380.430 -1.522 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c(=O)cn1 ZINC001582372375 1075945239 /nfs/dbraw/zinc/94/52/39/1075945239.db2.gz LLACOYHFMUODBG-JTQLQIEISA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c(=O)cn1 ZINC001582372375 1075945231 /nfs/dbraw/zinc/94/52/31/1075945231.db2.gz LLACOYHFMUODBG-JTQLQIEISA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c(=O)cn1 ZINC001582372377 1075945365 /nfs/dbraw/zinc/94/53/65/1075945365.db2.gz LLACOYHFMUODBG-SNVBAGLBSA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c(=O)cn1 ZINC001582372377 1075945362 /nfs/dbraw/zinc/94/53/62/1075945362.db2.gz LLACOYHFMUODBG-SNVBAGLBSA-N 0 3 388.363 -1.030 20 0 GAADHN O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582411005 1075956544 /nfs/dbraw/zinc/95/65/44/1075956544.db2.gz JHQFKAXHMDZHRL-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582411005 1075956538 /nfs/dbraw/zinc/95/65/38/1075956538.db2.gz JHQFKAXHMDZHRL-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582411079 1075956607 /nfs/dbraw/zinc/95/66/07/1075956607.db2.gz LQWRWZYPEFOXSG-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582411079 1075956602 /nfs/dbraw/zinc/95/66/02/1075956602.db2.gz LQWRWZYPEFOXSG-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582411254 1075957235 /nfs/dbraw/zinc/95/72/35/1075957235.db2.gz SKJODNOTGBLVKJ-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582411254 1075957231 /nfs/dbraw/zinc/95/72/31/1075957231.db2.gz SKJODNOTGBLVKJ-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582422318 1075960729 /nfs/dbraw/zinc/96/07/29/1075960729.db2.gz WNLCVHFJJQYIBX-UHFFFAOYSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582422318 1075960721 /nfs/dbraw/zinc/96/07/21/1075960721.db2.gz WNLCVHFJJQYIBX-UHFFFAOYSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582506680 1075969700 /nfs/dbraw/zinc/96/97/00/1075969700.db2.gz LOQQMDPUZGZION-JTQLQIEISA-N 0 3 390.404 -1.586 20 0 GAADHN O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582506680 1075969699 /nfs/dbraw/zinc/96/96/99/1075969699.db2.gz LOQQMDPUZGZION-JTQLQIEISA-N 0 3 390.404 -1.586 20 0 GAADHN O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582506681 1075969706 /nfs/dbraw/zinc/96/97/06/1075969706.db2.gz LOQQMDPUZGZION-SNVBAGLBSA-N 0 3 390.404 -1.586 20 0 GAADHN O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582506681 1075969704 /nfs/dbraw/zinc/96/97/04/1075969704.db2.gz LOQQMDPUZGZION-SNVBAGLBSA-N 0 3 390.404 -1.586 20 0 GAADHN O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582507340 1075969674 /nfs/dbraw/zinc/96/96/74/1075969674.db2.gz XHZVJVUEBVCSBP-UHFFFAOYSA-N 0 3 375.393 -1.154 20 0 GAADHN O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582507340 1075969671 /nfs/dbraw/zinc/96/96/71/1075969671.db2.gz XHZVJVUEBVCSBP-UHFFFAOYSA-N 0 3 375.393 -1.154 20 0 GAADHN O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582509726 1075969611 /nfs/dbraw/zinc/96/96/11/1075969611.db2.gz CYPBLTWAIAFHEV-UHFFFAOYSA-N 0 3 388.432 -1.159 20 0 GAADHN O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582509726 1075969605 /nfs/dbraw/zinc/96/96/05/1075969605.db2.gz CYPBLTWAIAFHEV-UHFFFAOYSA-N 0 3 388.432 -1.159 20 0 GAADHN O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582509879 1075969716 /nfs/dbraw/zinc/96/97/16/1075969716.db2.gz GBHQAMBHXKFGKX-UHFFFAOYSA-N 0 3 388.432 -1.159 20 0 GAADHN O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582510801 1075970401 /nfs/dbraw/zinc/97/04/01/1075970401.db2.gz VVWQJUPQHJELPY-UHFFFAOYSA-N 0 3 388.432 -1.159 20 0 GAADHN O=C(NCCN1CCC([NH2+][C@@H]2CCNC2=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582516962 1075971452 /nfs/dbraw/zinc/97/14/52/1075971452.db2.gz ACWAXNMEPZUEAQ-CYBMUJFWSA-N 0 3 387.448 -1.133 20 0 GAADHN O=C(NCCN1CCC([NH2+][C@H]2CCNC2=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582516963 1075971315 /nfs/dbraw/zinc/97/13/15/1075971315.db2.gz ACWAXNMEPZUEAQ-ZDUSSCGKSA-N 0 3 387.448 -1.133 20 0 GAADHN O=C(NCCN1CCC([NH2+][C@H]2CCNC2=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582517179 1075971308 /nfs/dbraw/zinc/97/13/08/1075971308.db2.gz KHBHVONCFQRCEN-AWEZNQCLSA-N 0 3 387.448 -1.133 20 0 GAADHN O=C(NCCN1CCC([NH2+][C@@H]2CCNC2=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582517180 1075971432 /nfs/dbraw/zinc/97/14/32/1075971432.db2.gz KHBHVONCFQRCEN-CQSZACIVSA-N 0 3 387.448 -1.133 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582572953 1075975688 /nfs/dbraw/zinc/97/56/88/1075975688.db2.gz AMJVVWXQOWXBGU-CHWSQXEVSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582572953 1075975682 /nfs/dbraw/zinc/97/56/82/1075975682.db2.gz AMJVVWXQOWXBGU-CHWSQXEVSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582572954 1075975724 /nfs/dbraw/zinc/97/57/24/1075975724.db2.gz AMJVVWXQOWXBGU-OLZOCXBDSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582572954 1075975718 /nfs/dbraw/zinc/97/57/18/1075975718.db2.gz AMJVVWXQOWXBGU-OLZOCXBDSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582573181 1075975573 /nfs/dbraw/zinc/97/55/73/1075975573.db2.gz NGPLVRQBESFTNL-CHWSQXEVSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582573182 1075975618 /nfs/dbraw/zinc/97/56/18/1075975618.db2.gz NGPLVRQBESFTNL-OLZOCXBDSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582573373 1075976110 /nfs/dbraw/zinc/97/61/10/1075976110.db2.gz YJABUHRXMUHYIW-OLZOCXBDSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001582580658 1075983519 /nfs/dbraw/zinc/98/35/19/1075983519.db2.gz WIYMFCFFMJAMEL-CHWSQXEVSA-N 0 3 385.432 -1.049 20 0 GAADHN O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001582581940 1075984541 /nfs/dbraw/zinc/98/45/41/1075984541.db2.gz MTDSHDHLCJMIFH-CHWSQXEVSA-N 0 3 385.432 -1.049 20 0 GAADHN O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001582581942 1075984592 /nfs/dbraw/zinc/98/45/92/1075984592.db2.gz MTDSHDHLCJMIFH-OLZOCXBDSA-N 0 3 385.432 -1.049 20 0 GAADHN O=C(N[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582596746 1075986430 /nfs/dbraw/zinc/98/64/30/1075986430.db2.gz AMHHZXQIKDPKFG-PHIMTYICSA-N 0 3 387.404 -1.013 20 0 GAADHN O=C(N[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582596746 1075986428 /nfs/dbraw/zinc/98/64/28/1075986428.db2.gz AMHHZXQIKDPKFG-PHIMTYICSA-N 0 3 387.404 -1.013 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582674053 1075989244 /nfs/dbraw/zinc/98/92/44/1075989244.db2.gz DCTNPRSJHRJTAR-CHWSQXEVSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582674054 1075989277 /nfs/dbraw/zinc/98/92/77/1075989277.db2.gz DCTNPRSJHRJTAR-OLZOCXBDSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C12CC[NH+](CC1)C2 ZINC001582677295 1075990148 /nfs/dbraw/zinc/99/01/48/1075990148.db2.gz KPNZTLGKVKWZEN-UHFFFAOYSA-N 0 3 388.432 -1.159 20 0 GAADHN O=C(NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C12CC[NH+](CC1)C2 ZINC001582677295 1075990145 /nfs/dbraw/zinc/99/01/45/1075990145.db2.gz KPNZTLGKVKWZEN-UHFFFAOYSA-N 0 3 388.432 -1.159 20 0 GAADHN O=C(NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C12CC[NH+](CC1)C2 ZINC001582678478 1075990177 /nfs/dbraw/zinc/99/01/77/1075990177.db2.gz IXFNDJVWNYMLIR-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C12CC[NH+](CC1)C2 ZINC001582678478 1075990174 /nfs/dbraw/zinc/99/01/74/1075990174.db2.gz IXFNDJVWNYMLIR-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582684479 1075990972 /nfs/dbraw/zinc/99/09/72/1075990972.db2.gz ZUOIORJPHCADGG-CHWSQXEVSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582684479 1075990971 /nfs/dbraw/zinc/99/09/71/1075990971.db2.gz ZUOIORJPHCADGG-CHWSQXEVSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582685475 1075990698 /nfs/dbraw/zinc/99/06/98/1075990698.db2.gz ZUOIORJPHCADGG-OLZOCXBDSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582685475 1075990691 /nfs/dbraw/zinc/99/06/91/1075990691.db2.gz ZUOIORJPHCADGG-OLZOCXBDSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C12CC[NH+](CC1)C2 ZINC001582693719 1075991226 /nfs/dbraw/zinc/99/12/26/1075991226.db2.gz NKCNCNYVJOMOIR-UHFFFAOYSA-N 0 3 388.432 -1.159 20 0 GAADHN O=C(NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C12CC[NH+](CC1)C2 ZINC001582693719 1075991223 /nfs/dbraw/zinc/99/12/23/1075991223.db2.gz NKCNCNYVJOMOIR-UHFFFAOYSA-N 0 3 388.432 -1.159 20 0 GAADHN O=C(NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C12CC[NH+](CC1)C2 ZINC001582694975 1075991206 /nfs/dbraw/zinc/99/12/06/1075991206.db2.gz QKVVZUWBOAFZEX-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C12CC[NH+](CC1)C2 ZINC001582694975 1075991201 /nfs/dbraw/zinc/99/12/01/1075991201.db2.gz QKVVZUWBOAFZEX-UHFFFAOYSA-N 0 3 386.416 -1.406 20 0 GAADHN O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582699401 1075991381 /nfs/dbraw/zinc/99/13/81/1075991381.db2.gz NRFKJIQOVARJHM-CHWSQXEVSA-N 0 3 386.416 -1.408 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582765517 1076004721 /nfs/dbraw/zinc/00/47/21/1076004721.db2.gz GBROURBVAZTYSU-CMPLNLGQSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582765517 1076004718 /nfs/dbraw/zinc/00/47/18/1076004718.db2.gz GBROURBVAZTYSU-CMPLNLGQSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582765518 1076004714 /nfs/dbraw/zinc/00/47/14/1076004714.db2.gz GBROURBVAZTYSU-JQWIXIFHSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582765518 1076004711 /nfs/dbraw/zinc/00/47/11/1076004711.db2.gz GBROURBVAZTYSU-JQWIXIFHSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582765519 1076004705 /nfs/dbraw/zinc/00/47/05/1076004705.db2.gz GBROURBVAZTYSU-PWSUYJOCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582765519 1076004703 /nfs/dbraw/zinc/00/47/03/1076004703.db2.gz GBROURBVAZTYSU-PWSUYJOCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582765520 1076004632 /nfs/dbraw/zinc/00/46/32/1076004632.db2.gz GBROURBVAZTYSU-ZYHUDNBSSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582765520 1076004630 /nfs/dbraw/zinc/00/46/30/1076004630.db2.gz GBROURBVAZTYSU-ZYHUDNBSSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582765547 1076004699 /nfs/dbraw/zinc/00/46/99/1076004699.db2.gz GLQMPNWSIQZVSE-CMPLNLGQSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582765547 1076004697 /nfs/dbraw/zinc/00/46/97/1076004697.db2.gz GLQMPNWSIQZVSE-CMPLNLGQSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582765548 1076004667 /nfs/dbraw/zinc/00/46/67/1076004667.db2.gz GLQMPNWSIQZVSE-JQWIXIFHSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582765548 1076004666 /nfs/dbraw/zinc/00/46/66/1076004666.db2.gz GLQMPNWSIQZVSE-JQWIXIFHSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582765549 1076004625 /nfs/dbraw/zinc/00/46/25/1076004625.db2.gz GLQMPNWSIQZVSE-PWSUYJOCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582765549 1076004624 /nfs/dbraw/zinc/00/46/24/1076004624.db2.gz GLQMPNWSIQZVSE-PWSUYJOCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582765550 1076004615 /nfs/dbraw/zinc/00/46/15/1076004615.db2.gz GLQMPNWSIQZVSE-ZYHUDNBSSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582765550 1076004614 /nfs/dbraw/zinc/00/46/14/1076004614.db2.gz GLQMPNWSIQZVSE-ZYHUDNBSSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582765804 1076005201 /nfs/dbraw/zinc/00/52/01/1076005201.db2.gz OAZQZGAGFQVNTM-CMPLNLGQSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582765804 1076005193 /nfs/dbraw/zinc/00/51/93/1076005193.db2.gz OAZQZGAGFQVNTM-CMPLNLGQSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582765805 1076005107 /nfs/dbraw/zinc/00/51/07/1076005107.db2.gz OAZQZGAGFQVNTM-JQWIXIFHSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582765805 1076005101 /nfs/dbraw/zinc/00/51/01/1076005101.db2.gz OAZQZGAGFQVNTM-JQWIXIFHSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582765806 1076005213 /nfs/dbraw/zinc/00/52/13/1076005213.db2.gz OAZQZGAGFQVNTM-PWSUYJOCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582765806 1076005209 /nfs/dbraw/zinc/00/52/09/1076005209.db2.gz OAZQZGAGFQVNTM-PWSUYJOCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582765807 1076005244 /nfs/dbraw/zinc/00/52/44/1076005244.db2.gz OAZQZGAGFQVNTM-ZYHUDNBSSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582765807 1076005240 /nfs/dbraw/zinc/00/52/40/1076005240.db2.gz OAZQZGAGFQVNTM-ZYHUDNBSSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582765822 1076005013 /nfs/dbraw/zinc/00/50/13/1076005013.db2.gz OHYDGIOUHXRDNG-GHMZBOCLSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582765822 1076005008 /nfs/dbraw/zinc/00/50/08/1076005008.db2.gz OHYDGIOUHXRDNG-GHMZBOCLSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582765823 1076005032 /nfs/dbraw/zinc/00/50/32/1076005032.db2.gz OHYDGIOUHXRDNG-MNOVXSKESA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582765823 1076005026 /nfs/dbraw/zinc/00/50/26/1076005026.db2.gz OHYDGIOUHXRDNG-MNOVXSKESA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582765824 1076005181 /nfs/dbraw/zinc/00/51/81/1076005181.db2.gz OHYDGIOUHXRDNG-QWRGUYRKSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582765824 1076005179 /nfs/dbraw/zinc/00/51/79/1076005179.db2.gz OHYDGIOUHXRDNG-QWRGUYRKSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582765825 1076005139 /nfs/dbraw/zinc/00/51/39/1076005139.db2.gz OHYDGIOUHXRDNG-WDEREUQCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582765825 1076005132 /nfs/dbraw/zinc/00/51/32/1076005132.db2.gz OHYDGIOUHXRDNG-WDEREUQCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582766077 1076005915 /nfs/dbraw/zinc/00/59/15/1076005915.db2.gz XRGKCEPPEHNTHK-GHMZBOCLSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582766077 1076005911 /nfs/dbraw/zinc/00/59/11/1076005911.db2.gz XRGKCEPPEHNTHK-GHMZBOCLSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582766078 1076006015 /nfs/dbraw/zinc/00/60/15/1076006015.db2.gz XRGKCEPPEHNTHK-MNOVXSKESA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582766078 1076006012 /nfs/dbraw/zinc/00/60/12/1076006012.db2.gz XRGKCEPPEHNTHK-MNOVXSKESA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582766079 1076006024 /nfs/dbraw/zinc/00/60/24/1076006024.db2.gz XRGKCEPPEHNTHK-QWRGUYRKSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582766079 1076006021 /nfs/dbraw/zinc/00/60/21/1076006021.db2.gz XRGKCEPPEHNTHK-QWRGUYRKSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582766080 1076006031 /nfs/dbraw/zinc/00/60/31/1076006031.db2.gz XRGKCEPPEHNTHK-WDEREUQCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582766080 1076006029 /nfs/dbraw/zinc/00/60/29/1076006029.db2.gz XRGKCEPPEHNTHK-WDEREUQCSA-N 0 3 376.421 -1.209 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768065 1076007135 /nfs/dbraw/zinc/00/71/35/1076007135.db2.gz FNUBXYUEWYQFAQ-OLZOCXBDSA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768065 1076007133 /nfs/dbraw/zinc/00/71/33/1076007133.db2.gz FNUBXYUEWYQFAQ-OLZOCXBDSA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768066 1076007158 /nfs/dbraw/zinc/00/71/58/1076007158.db2.gz FNUBXYUEWYQFAQ-STQMWFEESA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768066 1076007153 /nfs/dbraw/zinc/00/71/53/1076007153.db2.gz FNUBXYUEWYQFAQ-STQMWFEESA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768212 1076007776 /nfs/dbraw/zinc/00/77/76/1076007776.db2.gz LWTNTPLDDXOVPS-OLZOCXBDSA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768212 1076007774 /nfs/dbraw/zinc/00/77/74/1076007774.db2.gz LWTNTPLDDXOVPS-OLZOCXBDSA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768213 1076007837 /nfs/dbraw/zinc/00/78/37/1076007837.db2.gz LWTNTPLDDXOVPS-STQMWFEESA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768213 1076007835 /nfs/dbraw/zinc/00/78/35/1076007835.db2.gz LWTNTPLDDXOVPS-STQMWFEESA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768357 1076007792 /nfs/dbraw/zinc/00/77/92/1076007792.db2.gz SUOLCSYQWLUUDH-NEPJUHHUSA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768357 1076007791 /nfs/dbraw/zinc/00/77/91/1076007791.db2.gz SUOLCSYQWLUUDH-NEPJUHHUSA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768358 1076007755 /nfs/dbraw/zinc/00/77/55/1076007755.db2.gz SUOLCSYQWLUUDH-RYUDHWBXSA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768358 1076007753 /nfs/dbraw/zinc/00/77/53/1076007753.db2.gz SUOLCSYQWLUUDH-RYUDHWBXSA-N 0 3 388.432 -1.018 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N1 ZINC001582770770 1076011049 /nfs/dbraw/zinc/01/10/49/1076011049.db2.gz KVIQJJDAQNPXCN-GWCFXTLKSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N1 ZINC001582770771 1076010909 /nfs/dbraw/zinc/01/09/09/1076010909.db2.gz KVIQJJDAQNPXCN-MFKMUULPSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001582771028 1076011451 /nfs/dbraw/zinc/01/14/51/1076011451.db2.gz RAWWGYQKUFQPRC-AAEUAGOBSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001582771028 1076011446 /nfs/dbraw/zinc/01/14/46/1076011446.db2.gz RAWWGYQKUFQPRC-AAEUAGOBSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001582771029 1076011610 /nfs/dbraw/zinc/01/16/10/1076011610.db2.gz RAWWGYQKUFQPRC-YPMHNXCESA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001582771029 1076011607 /nfs/dbraw/zinc/01/16/07/1076011607.db2.gz RAWWGYQKUFQPRC-YPMHNXCESA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001582771066 1076011540 /nfs/dbraw/zinc/01/15/40/1076011540.db2.gz SGPNZQBHWMJIIA-GWCFXTLKSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001582771067 1076011437 /nfs/dbraw/zinc/01/14/37/1076011437.db2.gz SGPNZQBHWMJIIA-MFKMUULPSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)N1 ZINC001582771131 1076011406 /nfs/dbraw/zinc/01/14/06/1076011406.db2.gz VPXJWRSRSLFQST-GWCFXTLKSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N1 ZINC001582771131 1076011403 /nfs/dbraw/zinc/01/14/03/1076011403.db2.gz VPXJWRSRSLFQST-GWCFXTLKSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)N1 ZINC001582771132 1076012023 /nfs/dbraw/zinc/01/20/23/1076012023.db2.gz VPXJWRSRSLFQST-MFKMUULPSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N1 ZINC001582771132 1076012018 /nfs/dbraw/zinc/01/20/18/1076012018.db2.gz VPXJWRSRSLFQST-MFKMUULPSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001582771184 1076011849 /nfs/dbraw/zinc/01/18/49/1076011849.db2.gz WOKNTNITIVIKLE-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCC(=O)N1 ZINC001582773874 1076015559 /nfs/dbraw/zinc/01/55/59/1076015559.db2.gz VPXJWRSRSLFQST-GXFFZTMASA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCC(=O)N1 ZINC001582773874 1076015552 /nfs/dbraw/zinc/01/55/52/1076015552.db2.gz VPXJWRSRSLFQST-GXFFZTMASA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCC(=O)N1 ZINC001582773875 1076015535 /nfs/dbraw/zinc/01/55/35/1076015535.db2.gz VPXJWRSRSLFQST-ZWNOBZJWSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCC(=O)N1 ZINC001582773875 1076015532 /nfs/dbraw/zinc/01/55/32/1076015532.db2.gz VPXJWRSRSLFQST-ZWNOBZJWSA-N 0 3 377.380 -1.149 20 0 GAADHN O=C(NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCC(=O)N1 ZINC001582773913 1076015725 /nfs/dbraw/zinc/01/57/25/1076015725.db2.gz WOKNTNITIVIKLE-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(C[NH2+]CCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCNC(=O)C1 ZINC001582774874 1076016426 /nfs/dbraw/zinc/01/64/26/1076016426.db2.gz FJYXNAUJAQJOKT-UHFFFAOYSA-N 0 3 375.393 -2.137 20 0 GAADHN O=C(CN1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582775580 1076017338 /nfs/dbraw/zinc/01/73/38/1076017338.db2.gz AABTXCVFWLOXMN-HNNXBMFYSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(CN1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582775580 1076017334 /nfs/dbraw/zinc/01/73/34/1076017334.db2.gz AABTXCVFWLOXMN-HNNXBMFYSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582775581 1076017158 /nfs/dbraw/zinc/01/71/58/1076017158.db2.gz AABTXCVFWLOXMN-OAHLLOKOSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582775581 1076017157 /nfs/dbraw/zinc/01/71/57/1076017157.db2.gz AABTXCVFWLOXMN-OAHLLOKOSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(CN1CCNC(=O)C1)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001582776032 1076022187 /nfs/dbraw/zinc/02/21/87/1076022187.db2.gz VVIMFIFZFOZPTK-CYBMUJFWSA-N 0 3 388.432 -2.135 20 0 GAADHN O=C(CN1CCNC(=O)C1)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001582776032 1076022183 /nfs/dbraw/zinc/02/21/83/1076022183.db2.gz VVIMFIFZFOZPTK-CYBMUJFWSA-N 0 3 388.432 -2.135 20 0 GAADHN O=C(CN1CCNC(=O)C1)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001582776033 1076022238 /nfs/dbraw/zinc/02/22/38/1076022238.db2.gz VVIMFIFZFOZPTK-ZDUSSCGKSA-N 0 3 388.432 -2.135 20 0 GAADHN O=C(CN1CCNC(=O)C1)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001582776033 1076022235 /nfs/dbraw/zinc/02/22/35/1076022235.db2.gz VVIMFIFZFOZPTK-ZDUSSCGKSA-N 0 3 388.432 -2.135 20 0 GAADHN O=C(NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776567 1076023042 /nfs/dbraw/zinc/02/30/42/1076023042.db2.gz HRVPOWBMHUTCPL-NSHDSACASA-N 0 3 376.352 -1.190 20 0 GAADHN O=C(NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776567 1076023040 /nfs/dbraw/zinc/02/30/40/1076023040.db2.gz HRVPOWBMHUTCPL-NSHDSACASA-N 0 3 376.352 -1.190 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1COC(=O)N1 ZINC001582780412 1076029959 /nfs/dbraw/zinc/02/99/59/1076029959.db2.gz OGEFUGFXVURGRM-BXKDBHETSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1COC(=O)N1 ZINC001582780412 1076029954 /nfs/dbraw/zinc/02/99/54/1076029954.db2.gz OGEFUGFXVURGRM-BXKDBHETSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1COC(=O)N1 ZINC001582780413 1076029849 /nfs/dbraw/zinc/02/98/49/1076029849.db2.gz OGEFUGFXVURGRM-CABZTGNLSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1COC(=O)N1 ZINC001582780413 1076029843 /nfs/dbraw/zinc/02/98/43/1076029843.db2.gz OGEFUGFXVURGRM-CABZTGNLSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1COC(=O)N1 ZINC001582780414 1076029828 /nfs/dbraw/zinc/02/98/28/1076029828.db2.gz OGEFUGFXVURGRM-JOYOIKCWSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1COC(=O)N1 ZINC001582780414 1076029821 /nfs/dbraw/zinc/02/98/21/1076029821.db2.gz OGEFUGFXVURGRM-JOYOIKCWSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1COC(=O)N1 ZINC001582780415 1076029914 /nfs/dbraw/zinc/02/99/14/1076029914.db2.gz OGEFUGFXVURGRM-SKDRFNHKSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1COC(=O)N1 ZINC001582780415 1076029910 /nfs/dbraw/zinc/02/99/10/1076029910.db2.gz OGEFUGFXVURGRM-SKDRFNHKSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1COC(=O)N1 ZINC001582780718 1076030587 /nfs/dbraw/zinc/03/05/87/1076030587.db2.gz UJXBQPXZTWBARJ-GFCCVEGCSA-N 0 3 387.404 -1.392 20 0 GAADHN O=C(NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1COC(=O)N1 ZINC001582780719 1076030597 /nfs/dbraw/zinc/03/05/97/1076030597.db2.gz UJXBQPXZTWBARJ-LBPRGKRZSA-N 0 3 387.404 -1.392 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1COC(=O)N1 ZINC001582780784 1076030637 /nfs/dbraw/zinc/03/06/37/1076030637.db2.gz UYJGWXOSVIIOCC-BXKDBHETSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1COC(=O)N1 ZINC001582780785 1076030825 /nfs/dbraw/zinc/03/08/25/1076030825.db2.gz UYJGWXOSVIIOCC-CABZTGNLSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1COC(=O)N1 ZINC001582780786 1076030592 /nfs/dbraw/zinc/03/05/92/1076030592.db2.gz UYJGWXOSVIIOCC-JOYOIKCWSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1COC(=O)N1 ZINC001582780787 1076030837 /nfs/dbraw/zinc/03/08/37/1076030837.db2.gz UYJGWXOSVIIOCC-SKDRFNHKSA-N 0 3 379.352 -1.319 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001582781485 1076032502 /nfs/dbraw/zinc/03/25/02/1076032502.db2.gz FPVKQMCGVRBDJK-KBPBESRZSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001582781486 1076032321 /nfs/dbraw/zinc/03/23/21/1076032321.db2.gz FPVKQMCGVRBDJK-KGLIPLIRSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001582781487 1076032332 /nfs/dbraw/zinc/03/23/32/1076032332.db2.gz FPVKQMCGVRBDJK-UONOGXRCSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001582781488 1076032489 /nfs/dbraw/zinc/03/24/89/1076032489.db2.gz FPVKQMCGVRBDJK-ZIAGYGMSSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582782795 1076037560 /nfs/dbraw/zinc/03/75/60/1076037560.db2.gz WOPXTNOOMGVSCX-KBPBESRZSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582782795 1076037556 /nfs/dbraw/zinc/03/75/56/1076037556.db2.gz WOPXTNOOMGVSCX-KBPBESRZSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582782796 1076037574 /nfs/dbraw/zinc/03/75/74/1076037574.db2.gz WOPXTNOOMGVSCX-KGLIPLIRSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582782796 1076037569 /nfs/dbraw/zinc/03/75/69/1076037569.db2.gz WOPXTNOOMGVSCX-KGLIPLIRSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582782797 1076037548 /nfs/dbraw/zinc/03/75/48/1076037548.db2.gz WOPXTNOOMGVSCX-UONOGXRCSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582782797 1076037544 /nfs/dbraw/zinc/03/75/44/1076037544.db2.gz WOPXTNOOMGVSCX-UONOGXRCSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582782798 1076037424 /nfs/dbraw/zinc/03/74/24/1076037424.db2.gz WOPXTNOOMGVSCX-ZIAGYGMSSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582782798 1076037419 /nfs/dbraw/zinc/03/74/19/1076037419.db2.gz WOPXTNOOMGVSCX-ZIAGYGMSSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001582782869 1076037437 /nfs/dbraw/zinc/03/74/37/1076037437.db2.gz XYVJWEKHCFVBSP-GXTWGEPZSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001582782869 1076037434 /nfs/dbraw/zinc/03/74/34/1076037434.db2.gz XYVJWEKHCFVBSP-GXTWGEPZSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001582782870 1076037328 /nfs/dbraw/zinc/03/73/28/1076037328.db2.gz XYVJWEKHCFVBSP-JSGCOSHPSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001582782870 1076037323 /nfs/dbraw/zinc/03/73/23/1076037323.db2.gz XYVJWEKHCFVBSP-JSGCOSHPSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001582782872 1076037743 /nfs/dbraw/zinc/03/77/43/1076037743.db2.gz XYVJWEKHCFVBSP-OCCSQVGLSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001582782872 1076037736 /nfs/dbraw/zinc/03/77/36/1076037736.db2.gz XYVJWEKHCFVBSP-OCCSQVGLSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001582782873 1076038074 /nfs/dbraw/zinc/03/80/74/1076038074.db2.gz XYVJWEKHCFVBSP-TZMCWYRMSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001582782873 1076038070 /nfs/dbraw/zinc/03/80/70/1076038070.db2.gz XYVJWEKHCFVBSP-TZMCWYRMSA-N 0 3 386.416 -1.135 20 0 GAADHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CNC(=O)N1 ZINC001582783660 1076038939 /nfs/dbraw/zinc/03/89/39/1076038939.db2.gz BYGNHPSYBZPDAX-CXAGYDPISA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CNC(=O)N1 ZINC001582783660 1076038934 /nfs/dbraw/zinc/03/89/34/1076038934.db2.gz BYGNHPSYBZPDAX-CXAGYDPISA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CNC(=O)N1 ZINC001582783660 1076038929 /nfs/dbraw/zinc/03/89/29/1076038929.db2.gz BYGNHPSYBZPDAX-CXAGYDPISA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CNC(=O)N1 ZINC001582783660 1076038925 /nfs/dbraw/zinc/03/89/25/1076038925.db2.gz BYGNHPSYBZPDAX-CXAGYDPISA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CNC(=O)N1 ZINC001582783661 1076039068 /nfs/dbraw/zinc/03/90/68/1076039068.db2.gz BYGNHPSYBZPDAX-DYVFJYSZSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CNC(=O)N1 ZINC001582783661 1076039064 /nfs/dbraw/zinc/03/90/64/1076039064.db2.gz BYGNHPSYBZPDAX-DYVFJYSZSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CNC(=O)N1 ZINC001582783661 1076039058 /nfs/dbraw/zinc/03/90/58/1076039058.db2.gz BYGNHPSYBZPDAX-DYVFJYSZSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CNC(=O)N1 ZINC001582783661 1076039053 /nfs/dbraw/zinc/03/90/53/1076039053.db2.gz BYGNHPSYBZPDAX-DYVFJYSZSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CNC(=O)N1 ZINC001582783662 1076039261 /nfs/dbraw/zinc/03/92/61/1076039261.db2.gz BYGNHPSYBZPDAX-GUYCJALGSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CNC(=O)N1 ZINC001582783662 1076039258 /nfs/dbraw/zinc/03/92/58/1076039258.db2.gz BYGNHPSYBZPDAX-GUYCJALGSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CNC(=O)N1 ZINC001582783662 1076039252 /nfs/dbraw/zinc/03/92/52/1076039252.db2.gz BYGNHPSYBZPDAX-GUYCJALGSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CNC(=O)N1 ZINC001582783662 1076039247 /nfs/dbraw/zinc/03/92/47/1076039247.db2.gz BYGNHPSYBZPDAX-GUYCJALGSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CNC(=O)N1 ZINC001582783663 1076039107 /nfs/dbraw/zinc/03/91/07/1076039107.db2.gz BYGNHPSYBZPDAX-SUMWQHHRSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CNC(=O)N1 ZINC001582783663 1076039101 /nfs/dbraw/zinc/03/91/01/1076039101.db2.gz BYGNHPSYBZPDAX-SUMWQHHRSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CNC(=O)N1 ZINC001582783663 1076039096 /nfs/dbraw/zinc/03/90/96/1076039096.db2.gz BYGNHPSYBZPDAX-SUMWQHHRSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CNC(=O)N1 ZINC001582783663 1076039088 /nfs/dbraw/zinc/03/90/88/1076039088.db2.gz BYGNHPSYBZPDAX-SUMWQHHRSA-N 0 3 386.416 -1.399 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CNC(=O)N1 ZINC001582783746 1076039591 /nfs/dbraw/zinc/03/95/91/1076039591.db2.gz DICFYEAHAZNYSE-BXKDBHETSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CNC(=O)N1 ZINC001582783747 1076039603 /nfs/dbraw/zinc/03/96/03/1076039603.db2.gz DICFYEAHAZNYSE-CABZTGNLSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CNC(=O)N1 ZINC001582783748 1076039613 /nfs/dbraw/zinc/03/96/13/1076039613.db2.gz DICFYEAHAZNYSE-JOYOIKCWSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CNC(=O)N1 ZINC001582783749 1076039384 /nfs/dbraw/zinc/03/93/84/1076039384.db2.gz DICFYEAHAZNYSE-SKDRFNHKSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CNC(=O)N1 ZINC001582784997 1076042419 /nfs/dbraw/zinc/04/24/19/1076042419.db2.gz UPOCBXIQVNLWBI-CMPLNLGQSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CNC(=O)N1 ZINC001582784997 1076042415 /nfs/dbraw/zinc/04/24/15/1076042415.db2.gz UPOCBXIQVNLWBI-CMPLNLGQSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CNC(=O)N1 ZINC001582784998 1076042494 /nfs/dbraw/zinc/04/24/94/1076042494.db2.gz UPOCBXIQVNLWBI-JQWIXIFHSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CNC(=O)N1 ZINC001582784998 1076042490 /nfs/dbraw/zinc/04/24/90/1076042490.db2.gz UPOCBXIQVNLWBI-JQWIXIFHSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CNC(=O)N1 ZINC001582784999 1076042542 /nfs/dbraw/zinc/04/25/42/1076042542.db2.gz UPOCBXIQVNLWBI-PWSUYJOCSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CNC(=O)N1 ZINC001582784999 1076042537 /nfs/dbraw/zinc/04/25/37/1076042537.db2.gz UPOCBXIQVNLWBI-PWSUYJOCSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CNC(=O)N1 ZINC001582785000 1076042468 /nfs/dbraw/zinc/04/24/68/1076042468.db2.gz UPOCBXIQVNLWBI-ZYHUDNBSSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CNC(=O)N1 ZINC001582785000 1076042464 /nfs/dbraw/zinc/04/24/64/1076042464.db2.gz UPOCBXIQVNLWBI-ZYHUDNBSSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CNC(=O)N1 ZINC001582785433 1076044403 /nfs/dbraw/zinc/04/44/03/1076044403.db2.gz YYTIBWAYPMWDOW-BXKDBHETSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CNC(=O)N1 ZINC001582785434 1076044271 /nfs/dbraw/zinc/04/42/71/1076044271.db2.gz YYTIBWAYPMWDOW-CABZTGNLSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CNC(=O)N1 ZINC001582785435 1076044341 /nfs/dbraw/zinc/04/43/41/1076044341.db2.gz YYTIBWAYPMWDOW-JOYOIKCWSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CNC(=O)N1 ZINC001582785436 1076044252 /nfs/dbraw/zinc/04/42/52/1076044252.db2.gz YYTIBWAYPMWDOW-SKDRFNHKSA-N 0 3 378.368 -1.746 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCNC1=O ZINC001582785584 1076044306 /nfs/dbraw/zinc/04/43/06/1076044306.db2.gz NCCIRFIGHICLJH-CMPLNLGQSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCNC1=O ZINC001582785585 1076044314 /nfs/dbraw/zinc/04/43/14/1076044314.db2.gz NCCIRFIGHICLJH-JQWIXIFHSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCNC1=O ZINC001582785586 1076044864 /nfs/dbraw/zinc/04/48/64/1076044864.db2.gz NCCIRFIGHICLJH-PWSUYJOCSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCNC1=O ZINC001582785587 1076044737 /nfs/dbraw/zinc/04/47/37/1076044737.db2.gz NCCIRFIGHICLJH-ZYHUDNBSSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CNC(=O)N1 ZINC001582787127 1076046735 /nfs/dbraw/zinc/04/67/35/1076046735.db2.gz VIEBKOFFUWAJOM-GFCCVEGCSA-N 0 3 386.420 -1.819 20 0 GAADHN O=C(NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CNC(=O)N1 ZINC001582787128 1076046743 /nfs/dbraw/zinc/04/67/43/1076046743.db2.gz VIEBKOFFUWAJOM-LBPRGKRZSA-N 0 3 386.420 -1.819 20 0 GAADHN CCN1CCN([C@H](C)CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001585211734 1076053281 /nfs/dbraw/zinc/05/32/81/1076053281.db2.gz PJGTUNWEGHSEJB-GFCCVEGCSA-N 0 3 380.449 -1.420 20 0 GAADHN CCN1CCN([C@@H](C)CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001585211735 1076053143 /nfs/dbraw/zinc/05/31/43/1076053143.db2.gz PJGTUNWEGHSEJB-LBPRGKRZSA-N 0 3 380.449 -1.420 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588846927 1076066466 /nfs/dbraw/zinc/06/64/66/1076066466.db2.gz HEQYNHJKBQNGFN-UHFFFAOYSA-N 0 3 392.395 -1.536 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588846927 1076066461 /nfs/dbraw/zinc/06/64/61/1076066461.db2.gz HEQYNHJKBQNGFN-UHFFFAOYSA-N 0 3 392.395 -1.536 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588846940 1076066487 /nfs/dbraw/zinc/06/64/87/1076066487.db2.gz PDPRAGBXQAKRHD-UHFFFAOYSA-N 0 3 392.395 -1.536 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588846950 1076066474 /nfs/dbraw/zinc/06/64/74/1076066474.db2.gz RMMNLIOOGAIPOG-UHFFFAOYSA-N 0 3 392.395 -1.536 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588846951 1076066420 /nfs/dbraw/zinc/06/64/20/1076066420.db2.gz SBKMLFSHWCNJPO-UHFFFAOYSA-N 0 3 388.432 -1.333 20 0 GAADHN CC(=O)NCC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588846951 1076066416 /nfs/dbraw/zinc/06/64/16/1076066416.db2.gz SBKMLFSHWCNJPO-UHFFFAOYSA-N 0 3 388.432 -1.333 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001588868233 1076066241 /nfs/dbraw/zinc/06/62/41/1076066241.db2.gz IFZWIYLRIKADOT-AWEZNQCLSA-N 0 3 388.432 -1.205 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(N)=O ZINC001588868253 1076066875 /nfs/dbraw/zinc/06/68/75/1076066875.db2.gz MDYOAAYRKRRFAD-ZDUSSCGKSA-N 0 3 392.395 -1.408 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(N)=O ZINC001588868253 1076066871 /nfs/dbraw/zinc/06/68/71/1076066871.db2.gz MDYOAAYRKRRFAD-ZDUSSCGKSA-N 0 3 392.395 -1.408 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(N)=O ZINC001588868265 1076066788 /nfs/dbraw/zinc/06/67/88/1076066788.db2.gz NKGCJSSVHJZMQD-AWEZNQCLSA-N 0 3 388.432 -1.205 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N(C)CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(N)=O ZINC001588868265 1076066786 /nfs/dbraw/zinc/06/67/86/1076066786.db2.gz NKGCJSSVHJZMQD-AWEZNQCLSA-N 0 3 388.432 -1.205 20 0 GAADHN CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(N)=O ZINC001588868271 1076066917 /nfs/dbraw/zinc/06/69/17/1076066917.db2.gz ORMSRTGPFGNPRM-ZDUSSCGKSA-N 0 3 392.395 -1.408 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N(C)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001588868310 1076066858 /nfs/dbraw/zinc/06/68/58/1076066858.db2.gz VCVMBZYOCNNMHK-AWEZNQCLSA-N 0 3 388.432 -1.205 20 0 GAADHN CC(=O)N[C@@H](CC(=O)N(C)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001588868310 1076066852 /nfs/dbraw/zinc/06/68/52/1076066852.db2.gz VCVMBZYOCNNMHK-AWEZNQCLSA-N 0 3 388.432 -1.205 20 0 GAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001589201221 1076070825 /nfs/dbraw/zinc/07/08/25/1076070825.db2.gz UULIEMMTEBDWRS-ZDUSSCGKSA-N 0 3 392.464 -1.490 20 0 GAADHN C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589826668 1076073941 /nfs/dbraw/zinc/07/39/41/1076073941.db2.gz GKVCHTKMHVXASE-JTQLQIEISA-N 0 3 389.420 -1.749 20 0 GAADHN C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589826669 1076073781 /nfs/dbraw/zinc/07/37/81/1076073781.db2.gz GKVCHTKMHVXASE-SNVBAGLBSA-N 0 3 389.420 -1.749 20 0 GAADHN C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589826722 1076073770 /nfs/dbraw/zinc/07/37/70/1076073770.db2.gz HVXZPOFATRMAJT-JTQLQIEISA-N 0 3 389.420 -1.749 20 0 GAADHN C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589826723 1076073915 /nfs/dbraw/zinc/07/39/15/1076073915.db2.gz HVXZPOFATRMAJT-SNVBAGLBSA-N 0 3 389.420 -1.749 20 0 GAADHN C[C@@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589827438 1076073844 /nfs/dbraw/zinc/07/38/44/1076073844.db2.gz YLGIHAMHNQGTOE-JTQLQIEISA-N 0 3 389.420 -1.749 20 0 GAADHN C[C@H](CC[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589827439 1076073690 /nfs/dbraw/zinc/07/36/90/1076073690.db2.gz YLGIHAMHNQGTOE-SNVBAGLBSA-N 0 3 389.420 -1.749 20 0 GAADHN C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589827528 1076073817 /nfs/dbraw/zinc/07/38/17/1076073817.db2.gz ZTMXJIUBBPNZRM-SECBINFHSA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589827528 1076073813 /nfs/dbraw/zinc/07/38/13/1076073813.db2.gz ZTMXJIUBBPNZRM-SECBINFHSA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589827530 1076073718 /nfs/dbraw/zinc/07/37/18/1076073718.db2.gz ZTMXJIUBBPNZRM-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589827530 1076073713 /nfs/dbraw/zinc/07/37/13/1076073713.db2.gz ZTMXJIUBBPNZRM-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@H](CN(C)CCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001589842311 1076074587 /nfs/dbraw/zinc/07/45/87/1076074587.db2.gz SHHCWQAWHPWZPI-SECBINFHSA-N 0 3 375.393 -1.203 20 0 GAADHN C[C@@H](CN(C)CCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001589842312 1076074724 /nfs/dbraw/zinc/07/47/24/1076074724.db2.gz SHHCWQAWHPWZPI-VIFPVBQESA-N 0 3 375.393 -1.203 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001589862081 1076076387 /nfs/dbraw/zinc/07/63/87/1076076387.db2.gz GNOWBAJTTDVNFA-GXSJLCMTSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001589862081 1076076386 /nfs/dbraw/zinc/07/63/86/1076076386.db2.gz GNOWBAJTTDVNFA-GXSJLCMTSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001589862082 1076076258 /nfs/dbraw/zinc/07/62/58/1076076258.db2.gz GNOWBAJTTDVNFA-KOLCDFICSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001589862082 1076076249 /nfs/dbraw/zinc/07/62/49/1076076249.db2.gz GNOWBAJTTDVNFA-KOLCDFICSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001589862083 1076076377 /nfs/dbraw/zinc/07/63/77/1076076377.db2.gz GNOWBAJTTDVNFA-MWLCHTKSSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001589862083 1076076375 /nfs/dbraw/zinc/07/63/75/1076076375.db2.gz GNOWBAJTTDVNFA-MWLCHTKSSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001589862084 1076076372 /nfs/dbraw/zinc/07/63/72/1076076372.db2.gz GNOWBAJTTDVNFA-ONGXEEELSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001589862084 1076076369 /nfs/dbraw/zinc/07/63/69/1076076369.db2.gz GNOWBAJTTDVNFA-ONGXEEELSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001589862618 1076076749 /nfs/dbraw/zinc/07/67/49/1076076749.db2.gz YGFAXSGBHYJKPH-SECBINFHSA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001589862618 1076076746 /nfs/dbraw/zinc/07/67/46/1076076746.db2.gz YGFAXSGBHYJKPH-SECBINFHSA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001589862619 1076076632 /nfs/dbraw/zinc/07/66/32/1076076632.db2.gz YGFAXSGBHYJKPH-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001589862619 1076076628 /nfs/dbraw/zinc/07/66/28/1076076628.db2.gz YGFAXSGBHYJKPH-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001589870079 1076076737 /nfs/dbraw/zinc/07/67/37/1076076737.db2.gz MLSVTLJLJAUTNF-SECBINFHSA-N 0 3 375.393 -1.298 20 0 GAADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001589870079 1076076731 /nfs/dbraw/zinc/07/67/31/1076076731.db2.gz MLSVTLJLJAUTNF-SECBINFHSA-N 0 3 375.393 -1.298 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001589870080 1076076801 /nfs/dbraw/zinc/07/68/01/1076076801.db2.gz MLSVTLJLJAUTNF-VIFPVBQESA-N 0 3 375.393 -1.298 20 0 GAADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001589870080 1076076796 /nfs/dbraw/zinc/07/67/96/1076076796.db2.gz MLSVTLJLJAUTNF-VIFPVBQESA-N 0 3 375.393 -1.298 20 0 GAADHN C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)N(C)C ZINC001589922735 1076078394 /nfs/dbraw/zinc/07/83/94/1076078394.db2.gz BDWOGWJPJWWOMD-JTQLQIEISA-N 0 3 391.436 -1.503 20 0 GAADHN C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)N(C)C ZINC001589922736 1076078349 /nfs/dbraw/zinc/07/83/49/1076078349.db2.gz BDWOGWJPJWWOMD-SNVBAGLBSA-N 0 3 391.436 -1.503 20 0 GAADHN C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)N(C)C ZINC001589923707 1076079118 /nfs/dbraw/zinc/07/91/18/1076079118.db2.gz XFASSLGLHAZAMO-JTQLQIEISA-N 0 3 391.436 -1.503 20 0 GAADHN C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)N(C)C ZINC001589923708 1076079152 /nfs/dbraw/zinc/07/91/52/1076079152.db2.gz XFASSLGLHAZAMO-SNVBAGLBSA-N 0 3 391.436 -1.503 20 0 GAADHN C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589960770 1076079796 /nfs/dbraw/zinc/07/97/96/1076079796.db2.gz HDULKGMRZLDYBK-BDAKNGLRSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589960770 1076079790 /nfs/dbraw/zinc/07/97/90/1076079790.db2.gz HDULKGMRZLDYBK-BDAKNGLRSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960772 1076079564 /nfs/dbraw/zinc/07/95/64/1076079564.db2.gz HDULKGMRZLDYBK-DTWKUNHWSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960772 1076079562 /nfs/dbraw/zinc/07/95/62/1076079562.db2.gz HDULKGMRZLDYBK-DTWKUNHWSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960774 1076079744 /nfs/dbraw/zinc/07/97/44/1076079744.db2.gz HDULKGMRZLDYBK-IUCAKERBSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960774 1076079740 /nfs/dbraw/zinc/07/97/40/1076079740.db2.gz HDULKGMRZLDYBK-IUCAKERBSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960776 1076079658 /nfs/dbraw/zinc/07/96/58/1076079658.db2.gz HDULKGMRZLDYBK-RKDXNWHRSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960776 1076079651 /nfs/dbraw/zinc/07/96/51/1076079651.db2.gz HDULKGMRZLDYBK-RKDXNWHRSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589960878 1076079729 /nfs/dbraw/zinc/07/97/29/1076079729.db2.gz JOODVYWETQQUAS-BDAKNGLRSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001589960878 1076079724 /nfs/dbraw/zinc/07/97/24/1076079724.db2.gz JOODVYWETQQUAS-BDAKNGLRSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960879 1076079704 /nfs/dbraw/zinc/07/97/04/1076079704.db2.gz JOODVYWETQQUAS-DTWKUNHWSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960879 1076079698 /nfs/dbraw/zinc/07/96/98/1076079698.db2.gz JOODVYWETQQUAS-DTWKUNHWSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960880 1076079846 /nfs/dbraw/zinc/07/98/46/1076079846.db2.gz JOODVYWETQQUAS-IUCAKERBSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960880 1076079842 /nfs/dbraw/zinc/07/98/42/1076079842.db2.gz JOODVYWETQQUAS-IUCAKERBSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960881 1076079759 /nfs/dbraw/zinc/07/97/59/1076079759.db2.gz JOODVYWETQQUAS-RKDXNWHRSA-N 0 3 375.393 -1.157 20 0 GAADHN C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960881 1076079754 /nfs/dbraw/zinc/07/97/54/1076079754.db2.gz JOODVYWETQQUAS-RKDXNWHRSA-N 0 3 375.393 -1.157 20 0 GAADHN CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC001590114260 1076084272 /nfs/dbraw/zinc/08/42/72/1076084272.db2.gz MQSHEIWFGQWVLF-UHFFFAOYSA-N 0 3 375.393 -1.155 20 0 GAADHN CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1=O ZINC001590114260 1076084269 /nfs/dbraw/zinc/08/42/69/1076084269.db2.gz MQSHEIWFGQWVLF-UHFFFAOYSA-N 0 3 375.393 -1.155 20 0 GAADHN CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001590114366 1076084514 /nfs/dbraw/zinc/08/45/14/1076084514.db2.gz SFDFTONSYVDWNR-UHFFFAOYSA-N 0 3 375.393 -1.155 20 0 GAADHN CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001590114366 1076084508 /nfs/dbraw/zinc/08/45/08/1076084508.db2.gz SFDFTONSYVDWNR-UHFFFAOYSA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590162912 1076085781 /nfs/dbraw/zinc/08/57/81/1076085781.db2.gz FKSFWSCAQOREPR-JTQLQIEISA-N 0 3 387.404 -1.221 20 0 GAADHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590162914 1076085728 /nfs/dbraw/zinc/08/57/28/1076085728.db2.gz FKSFWSCAQOREPR-SNVBAGLBSA-N 0 3 387.404 -1.221 20 0 GAADHN C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590172768 1076086101 /nfs/dbraw/zinc/08/61/01/1076086101.db2.gz FXKBMVCDRVLMBZ-GXSJLCMTSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590172768 1076086096 /nfs/dbraw/zinc/08/60/96/1076086096.db2.gz FXKBMVCDRVLMBZ-GXSJLCMTSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590172769 1076086337 /nfs/dbraw/zinc/08/63/37/1076086337.db2.gz FXKBMVCDRVLMBZ-KOLCDFICSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590172769 1076086330 /nfs/dbraw/zinc/08/63/30/1076086330.db2.gz FXKBMVCDRVLMBZ-KOLCDFICSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590172770 1076086129 /nfs/dbraw/zinc/08/61/29/1076086129.db2.gz FXKBMVCDRVLMBZ-MWLCHTKSSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590172770 1076086125 /nfs/dbraw/zinc/08/61/25/1076086125.db2.gz FXKBMVCDRVLMBZ-MWLCHTKSSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590172771 1076086024 /nfs/dbraw/zinc/08/60/24/1076086024.db2.gz FXKBMVCDRVLMBZ-ONGXEEELSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590172771 1076086015 /nfs/dbraw/zinc/08/60/15/1076086015.db2.gz FXKBMVCDRVLMBZ-ONGXEEELSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590173330 1076086318 /nfs/dbraw/zinc/08/63/18/1076086318.db2.gz OPSBNWNLOIKBGG-NXEZZACHSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590173330 1076086314 /nfs/dbraw/zinc/08/63/14/1076086314.db2.gz OPSBNWNLOIKBGG-NXEZZACHSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590173331 1076086354 /nfs/dbraw/zinc/08/63/54/1076086354.db2.gz OPSBNWNLOIKBGG-UWVGGRQHSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590173331 1076086350 /nfs/dbraw/zinc/08/63/50/1076086350.db2.gz OPSBNWNLOIKBGG-UWVGGRQHSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590173332 1076086384 /nfs/dbraw/zinc/08/63/84/1076086384.db2.gz OPSBNWNLOIKBGG-VHSXEESVSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590173332 1076086380 /nfs/dbraw/zinc/08/63/80/1076086380.db2.gz OPSBNWNLOIKBGG-VHSXEESVSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590173333 1076086115 /nfs/dbraw/zinc/08/61/15/1076086115.db2.gz OPSBNWNLOIKBGG-ZJUUUORDSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590173333 1076086110 /nfs/dbraw/zinc/08/61/10/1076086110.db2.gz OPSBNWNLOIKBGG-ZJUUUORDSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590173515 1076086369 /nfs/dbraw/zinc/08/63/69/1076086369.db2.gz RYMCILYQWOOTJU-GXSJLCMTSA-N 0 3 382.450 -1.063 20 0 GAADHN C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590173515 1076086363 /nfs/dbraw/zinc/08/63/63/1076086363.db2.gz RYMCILYQWOOTJU-GXSJLCMTSA-N 0 3 382.450 -1.063 20 0 GAADHN C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590173519 1076086181 /nfs/dbraw/zinc/08/61/81/1076086181.db2.gz RYMCILYQWOOTJU-KOLCDFICSA-N 0 3 382.450 -1.063 20 0 GAADHN C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590173519 1076086175 /nfs/dbraw/zinc/08/61/75/1076086175.db2.gz RYMCILYQWOOTJU-KOLCDFICSA-N 0 3 382.450 -1.063 20 0 GAADHN C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590173521 1076086161 /nfs/dbraw/zinc/08/61/61/1076086161.db2.gz RYMCILYQWOOTJU-MWLCHTKSSA-N 0 3 382.450 -1.063 20 0 GAADHN C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590173521 1076086155 /nfs/dbraw/zinc/08/61/55/1076086155.db2.gz RYMCILYQWOOTJU-MWLCHTKSSA-N 0 3 382.450 -1.063 20 0 GAADHN C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590173523 1076086045 /nfs/dbraw/zinc/08/60/45/1076086045.db2.gz RYMCILYQWOOTJU-ONGXEEELSA-N 0 3 382.450 -1.063 20 0 GAADHN C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590173523 1076086041 /nfs/dbraw/zinc/08/60/41/1076086041.db2.gz RYMCILYQWOOTJU-ONGXEEELSA-N 0 3 382.450 -1.063 20 0 GAADHN C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590204553 1076087083 /nfs/dbraw/zinc/08/70/83/1076087083.db2.gz NXOJOTFKSUISKI-GXSJLCMTSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001590204553 1076087077 /nfs/dbraw/zinc/08/70/77/1076087077.db2.gz NXOJOTFKSUISKI-GXSJLCMTSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590204554 1076087017 /nfs/dbraw/zinc/08/70/17/1076087017.db2.gz NXOJOTFKSUISKI-KOLCDFICSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001590204554 1076087010 /nfs/dbraw/zinc/08/70/10/1076087010.db2.gz NXOJOTFKSUISKI-KOLCDFICSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590204555 1076087395 /nfs/dbraw/zinc/08/73/95/1076087395.db2.gz NXOJOTFKSUISKI-MWLCHTKSSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001590204555 1076087391 /nfs/dbraw/zinc/08/73/91/1076087391.db2.gz NXOJOTFKSUISKI-MWLCHTKSSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590204556 1076087367 /nfs/dbraw/zinc/08/73/67/1076087367.db2.gz NXOJOTFKSUISKI-ONGXEEELSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001590204556 1076087360 /nfs/dbraw/zinc/08/73/60/1076087360.db2.gz NXOJOTFKSUISKI-ONGXEEELSA-N 0 3 387.404 -1.061 20 0 GAADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293598 1076090178 /nfs/dbraw/zinc/09/01/78/1076090178.db2.gz IIYZMKYJUSJIBA-BXKDBHETSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293598 1076090175 /nfs/dbraw/zinc/09/01/75/1076090175.db2.gz IIYZMKYJUSJIBA-BXKDBHETSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293599 1076090211 /nfs/dbraw/zinc/09/02/11/1076090211.db2.gz IIYZMKYJUSJIBA-CABZTGNLSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293599 1076090205 /nfs/dbraw/zinc/09/02/05/1076090205.db2.gz IIYZMKYJUSJIBA-CABZTGNLSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293600 1076090006 /nfs/dbraw/zinc/09/00/06/1076090006.db2.gz IIYZMKYJUSJIBA-JOYOIKCWSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293600 1076090001 /nfs/dbraw/zinc/09/00/01/1076090001.db2.gz IIYZMKYJUSJIBA-JOYOIKCWSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293601 1076089988 /nfs/dbraw/zinc/08/99/88/1076089988.db2.gz IIYZMKYJUSJIBA-SKDRFNHKSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293601 1076089982 /nfs/dbraw/zinc/08/99/82/1076089982.db2.gz IIYZMKYJUSJIBA-SKDRFNHKSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295186 1076090307 /nfs/dbraw/zinc/09/03/07/1076090307.db2.gz LREUOHMUOPRABD-BXKDBHETSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295186 1076090300 /nfs/dbraw/zinc/09/03/00/1076090300.db2.gz LREUOHMUOPRABD-BXKDBHETSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295187 1076090243 /nfs/dbraw/zinc/09/02/43/1076090243.db2.gz LREUOHMUOPRABD-CABZTGNLSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295187 1076090238 /nfs/dbraw/zinc/09/02/38/1076090238.db2.gz LREUOHMUOPRABD-CABZTGNLSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295188 1076090086 /nfs/dbraw/zinc/09/00/86/1076090086.db2.gz LREUOHMUOPRABD-JOYOIKCWSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295188 1076090079 /nfs/dbraw/zinc/09/00/79/1076090079.db2.gz LREUOHMUOPRABD-JOYOIKCWSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295189 1076089966 /nfs/dbraw/zinc/08/99/66/1076089966.db2.gz LREUOHMUOPRABD-SKDRFNHKSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295189 1076089961 /nfs/dbraw/zinc/08/99/61/1076089961.db2.gz LREUOHMUOPRABD-SKDRFNHKSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295688 1076090228 /nfs/dbraw/zinc/09/02/28/1076090228.db2.gz XWZKCONSVNGEKU-BXKDBHETSA-N 0 3 382.450 -1.206 20 0 GAADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295688 1076090222 /nfs/dbraw/zinc/09/02/22/1076090222.db2.gz XWZKCONSVNGEKU-BXKDBHETSA-N 0 3 382.450 -1.206 20 0 GAADHN C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295690 1076090110 /nfs/dbraw/zinc/09/01/10/1076090110.db2.gz XWZKCONSVNGEKU-CABZTGNLSA-N 0 3 382.450 -1.206 20 0 GAADHN C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295690 1076090102 /nfs/dbraw/zinc/09/01/02/1076090102.db2.gz XWZKCONSVNGEKU-CABZTGNLSA-N 0 3 382.450 -1.206 20 0 GAADHN C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295691 1076090149 /nfs/dbraw/zinc/09/01/49/1076090149.db2.gz XWZKCONSVNGEKU-JOYOIKCWSA-N 0 3 382.450 -1.206 20 0 GAADHN C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295691 1076090143 /nfs/dbraw/zinc/09/01/43/1076090143.db2.gz XWZKCONSVNGEKU-JOYOIKCWSA-N 0 3 382.450 -1.206 20 0 GAADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295693 1076090745 /nfs/dbraw/zinc/09/07/45/1076090745.db2.gz XWZKCONSVNGEKU-SKDRFNHKSA-N 0 3 382.450 -1.206 20 0 GAADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295693 1076090738 /nfs/dbraw/zinc/09/07/38/1076090738.db2.gz XWZKCONSVNGEKU-SKDRFNHKSA-N 0 3 382.450 -1.206 20 0 GAADHN CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001590443111 1076091960 /nfs/dbraw/zinc/09/19/60/1076091960.db2.gz URJPAEALJFUENT-SECBINFHSA-N 0 3 375.393 -1.155 20 0 GAADHN CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001590443111 1076091954 /nfs/dbraw/zinc/09/19/54/1076091954.db2.gz URJPAEALJFUENT-SECBINFHSA-N 0 3 375.393 -1.155 20 0 GAADHN CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001590443112 1076091923 /nfs/dbraw/zinc/09/19/23/1076091923.db2.gz URJPAEALJFUENT-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001590443112 1076091917 /nfs/dbraw/zinc/09/19/17/1076091917.db2.gz URJPAEALJFUENT-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001590701066 1076094152 /nfs/dbraw/zinc/09/41/52/1076094152.db2.gz UXZJGDQONGSJBA-UHFFFAOYSA-N 0 3 390.452 -1.636 20 0 GAADHN CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001590701066 1076094145 /nfs/dbraw/zinc/09/41/45/1076094145.db2.gz UXZJGDQONGSJBA-UHFFFAOYSA-N 0 3 390.452 -1.636 20 0 GAADHN CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590709239 1076094084 /nfs/dbraw/zinc/09/40/84/1076094084.db2.gz PTHFKVLJBJJXBR-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590709239 1076094079 /nfs/dbraw/zinc/09/40/79/1076094079.db2.gz PTHFKVLJBJJXBR-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001590847197 1076100982 /nfs/dbraw/zinc/10/09/82/1076100982.db2.gz JSZLETSAJOGFRD-AOOOYVTPSA-N 0 3 382.450 -1.016 20 0 GAADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001590990153 1076105816 /nfs/dbraw/zinc/10/58/16/1076105816.db2.gz UZRSYPUOTCRVKM-UHFFFAOYSA-N 0 3 382.450 -1.063 20 0 GAADHN CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001590992429 1076106181 /nfs/dbraw/zinc/10/61/81/1076106181.db2.gz RBQHLPVOUYJDDQ-UHFFFAOYSA-N 0 3 387.404 -1.061 20 0 GAADHN CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001590992429 1076106178 /nfs/dbraw/zinc/10/61/78/1076106178.db2.gz RBQHLPVOUYJDDQ-UHFFFAOYSA-N 0 3 387.404 -1.061 20 0 GAADHN C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591016539 1076107840 /nfs/dbraw/zinc/10/78/40/1076107840.db2.gz CAWIZLQDSSNMOM-UHFFFAOYSA-N 0 3 392.420 -1.401 20 0 GAADHN CN(C)CC[N@@H+](C)CCCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001591017104 1076107766 /nfs/dbraw/zinc/10/77/66/1076107766.db2.gz HACHKDSGIQLHGO-UHFFFAOYSA-N 0 3 393.452 -1.481 20 0 GAADHN CN(C)CC[N@H+](C)CCCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001591017104 1076107765 /nfs/dbraw/zinc/10/77/65/1076107765.db2.gz HACHKDSGIQLHGO-UHFFFAOYSA-N 0 3 393.452 -1.481 20 0 GAADHN CN(C)CC[N@@H+](C)CCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001591017106 1076107778 /nfs/dbraw/zinc/10/77/78/1076107778.db2.gz HBAKRDRSBKEHFC-UHFFFAOYSA-N 0 3 379.425 -1.871 20 0 GAADHN CN(C)CC[N@H+](C)CCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001591017106 1076107777 /nfs/dbraw/zinc/10/77/77/1076107777.db2.gz HBAKRDRSBKEHFC-UHFFFAOYSA-N 0 3 379.425 -1.871 20 0 GAADHN CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001591017816 1076107770 /nfs/dbraw/zinc/10/77/70/1076107770.db2.gz TXQGLSSHKNVDDI-UHFFFAOYSA-N 0 3 387.448 -1.070 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591045051 1076111350 /nfs/dbraw/zinc/11/13/50/1076111350.db2.gz APDZGXKGDVUDET-JTQLQIEISA-N 0 3 390.404 -1.634 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591045051 1076111345 /nfs/dbraw/zinc/11/13/45/1076111345.db2.gz APDZGXKGDVUDET-JTQLQIEISA-N 0 3 390.404 -1.634 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591045052 1076111494 /nfs/dbraw/zinc/11/14/94/1076111494.db2.gz APDZGXKGDVUDET-SNVBAGLBSA-N 0 3 390.404 -1.634 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591045052 1076111490 /nfs/dbraw/zinc/11/14/90/1076111490.db2.gz APDZGXKGDVUDET-SNVBAGLBSA-N 0 3 390.404 -1.634 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591045055 1076111415 /nfs/dbraw/zinc/11/14/15/1076111415.db2.gz BXXDYJGKSCWLPY-LLVKDONJSA-N 0 3 385.450 -1.348 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591045056 1076111508 /nfs/dbraw/zinc/11/15/08/1076111508.db2.gz BXXDYJGKSCWLPY-NSHDSACASA-N 0 3 385.450 -1.348 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591045063 1076111522 /nfs/dbraw/zinc/11/15/22/1076111522.db2.gz DORYLXXFCCGTMN-LLVKDONJSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591045063 1076111517 /nfs/dbraw/zinc/11/15/17/1076111517.db2.gz DORYLXXFCCGTMN-LLVKDONJSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591045064 1076111543 /nfs/dbraw/zinc/11/15/43/1076111543.db2.gz DORYLXXFCCGTMN-NSHDSACASA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591045064 1076111541 /nfs/dbraw/zinc/11/15/41/1076111541.db2.gz DORYLXXFCCGTMN-NSHDSACASA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591045077 1076111407 /nfs/dbraw/zinc/11/14/07/1076111407.db2.gz FAOMXYRFRKZXJG-NXEZZACHSA-N 0 3 376.377 -1.978 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591045078 1076111502 /nfs/dbraw/zinc/11/15/02/1076111502.db2.gz FAOMXYRFRKZXJG-UWVGGRQHSA-N 0 3 376.377 -1.978 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591045079 1076111847 /nfs/dbraw/zinc/11/18/47/1076111847.db2.gz FAOMXYRFRKZXJG-VHSXEESVSA-N 0 3 376.377 -1.978 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591045080 1076111809 /nfs/dbraw/zinc/11/18/09/1076111809.db2.gz FAOMXYRFRKZXJG-ZJUUUORDSA-N 0 3 376.377 -1.978 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591045115 1076111833 /nfs/dbraw/zinc/11/18/33/1076111833.db2.gz IXNRECGUKMJQKX-NXEZZACHSA-N 0 3 376.377 -1.978 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591045116 1076111857 /nfs/dbraw/zinc/11/18/57/1076111857.db2.gz IXNRECGUKMJQKX-UWVGGRQHSA-N 0 3 376.377 -1.978 20 0 GAADHN CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591045117 1076111824 /nfs/dbraw/zinc/11/18/24/1076111824.db2.gz IXNRECGUKMJQKX-VHSXEESVSA-N 0 3 376.377 -1.978 20 0 GAADHN CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591045118 1076111914 /nfs/dbraw/zinc/11/19/14/1076111914.db2.gz IXNRECGUKMJQKX-ZJUUUORDSA-N 0 3 376.377 -1.978 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591045217 1076111784 /nfs/dbraw/zinc/11/17/84/1076111784.db2.gz SJMQYTFWCZVZPC-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591045217 1076111781 /nfs/dbraw/zinc/11/17/81/1076111781.db2.gz SJMQYTFWCZVZPC-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591045218 1076111870 /nfs/dbraw/zinc/11/18/70/1076111870.db2.gz SJMQYTFWCZVZPC-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591045218 1076111866 /nfs/dbraw/zinc/11/18/66/1076111866.db2.gz SJMQYTFWCZVZPC-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591045251 1076111798 /nfs/dbraw/zinc/11/17/98/1076111798.db2.gz WXBWRIVMLHDTSC-GFCCVEGCSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591045251 1076111793 /nfs/dbraw/zinc/11/17/93/1076111793.db2.gz WXBWRIVMLHDTSC-GFCCVEGCSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591045252 1076111763 /nfs/dbraw/zinc/11/17/63/1076111763.db2.gz WXBWRIVMLHDTSC-LBPRGKRZSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591045252 1076111760 /nfs/dbraw/zinc/11/17/60/1076111760.db2.gz WXBWRIVMLHDTSC-LBPRGKRZSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591045277 1076111771 /nfs/dbraw/zinc/11/17/71/1076111771.db2.gz YVPDOHJZYYOGLX-GFCCVEGCSA-N 0 3 376.421 -1.257 20 0 GAADHN CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591045278 1076111923 /nfs/dbraw/zinc/11/19/23/1076111923.db2.gz YVPDOHJZYYOGLX-LBPRGKRZSA-N 0 3 376.421 -1.257 20 0 GAADHN C[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591069779 1076114950 /nfs/dbraw/zinc/11/49/50/1076114950.db2.gz QXXCQIQSEISIFD-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN C[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591069779 1076114947 /nfs/dbraw/zinc/11/49/47/1076114947.db2.gz QXXCQIQSEISIFD-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN C[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591069779 1076114945 /nfs/dbraw/zinc/11/49/45/1076114945.db2.gz QXXCQIQSEISIFD-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN C[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591069779 1076114942 /nfs/dbraw/zinc/11/49/42/1076114942.db2.gz QXXCQIQSEISIFD-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN C[N@@H+](CCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CCN1C(=O)CNC1=O ZINC001591073728 1076115707 /nfs/dbraw/zinc/11/57/07/1076115707.db2.gz BNPSSYFEFNIHIX-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN C[N@H+](CCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CCN1C(=O)CNC1=O ZINC001591073728 1076115703 /nfs/dbraw/zinc/11/57/03/1076115703.db2.gz BNPSSYFEFNIHIX-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CN(CCC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591079071 1076116396 /nfs/dbraw/zinc/11/63/96/1076116396.db2.gz CYEARABLBJRIKM-UHFFFAOYSA-N 0 3 389.420 -1.795 20 0 GAADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001591086129 1076116383 /nfs/dbraw/zinc/11/63/83/1076116383.db2.gz CNBBLQIKOINBBQ-UHFFFAOYSA-N 0 3 390.452 -1.227 20 0 GAADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001591086129 1076116381 /nfs/dbraw/zinc/11/63/81/1076116381.db2.gz CNBBLQIKOINBBQ-UHFFFAOYSA-N 0 3 390.452 -1.227 20 0 GAADHN CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001591095141 1076117300 /nfs/dbraw/zinc/11/73/00/1076117300.db2.gz JBBTWQWTIAJSGC-CYBMUJFWSA-N 0 3 386.416 -1.105 20 0 GAADHN CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001591095142 1076117338 /nfs/dbraw/zinc/11/73/38/1076117338.db2.gz JBBTWQWTIAJSGC-ZDUSSCGKSA-N 0 3 386.416 -1.105 20 0 GAADHN CN(CCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001591095896 1076117309 /nfs/dbraw/zinc/11/73/09/1076117309.db2.gz HIOIMUAHKVHMFC-OLZOCXBDSA-N 0 3 399.459 -1.037 20 0 GAADHN CN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001591098014 1076117797 /nfs/dbraw/zinc/11/77/97/1076117797.db2.gz HTEUOMYPNUHDNT-LLVKDONJSA-N 0 3 390.404 -1.634 20 0 GAADHN CN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[C@H](O)CN1C(=O)CCC1=O ZINC001591098015 1076117830 /nfs/dbraw/zinc/11/78/30/1076117830.db2.gz HTEUOMYPNUHDNT-NSHDSACASA-N 0 3 390.404 -1.634 20 0 GAADHN CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591101293 1076117901 /nfs/dbraw/zinc/11/79/01/1076117901.db2.gz APTZJQDHGWVYBQ-LBPRGKRZSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591101293 1076117897 /nfs/dbraw/zinc/11/78/97/1076117897.db2.gz APTZJQDHGWVYBQ-LBPRGKRZSA-N 0 3 376.421 -1.160 20 0 GAADHN CN(CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)CN1CCNC(=O)C1 ZINC001591101497 1076118393 /nfs/dbraw/zinc/11/83/93/1076118393.db2.gz KAIBURLRCDALHM-UHFFFAOYSA-N 0 3 390.423 -1.014 20 0 GAADHN CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591102611 1076118427 /nfs/dbraw/zinc/11/84/27/1076118427.db2.gz FDFKVHPPYAPFID-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591102611 1076118425 /nfs/dbraw/zinc/11/84/25/1076118425.db2.gz FDFKVHPPYAPFID-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591102622 1076118346 /nfs/dbraw/zinc/11/83/46/1076118346.db2.gz GGDWMCULYBHZDR-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591102622 1076118343 /nfs/dbraw/zinc/11/83/43/1076118343.db2.gz GGDWMCULYBHZDR-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591103235 1076118296 /nfs/dbraw/zinc/11/82/96/1076118296.db2.gz WHRWSNIURMUWRJ-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001591103235 1076118293 /nfs/dbraw/zinc/11/82/93/1076118293.db2.gz WHRWSNIURMUWRJ-UHFFFAOYSA-N 0 3 375.393 -1.202 20 0 GAADHN CN(CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001591105242 1076118879 /nfs/dbraw/zinc/11/88/79/1076118879.db2.gz ZNIIDTRZCNSMCA-UHFFFAOYSA-N 0 3 384.404 -1.195 20 0 GAADHN CN(CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001591105242 1076118876 /nfs/dbraw/zinc/11/88/76/1076118876.db2.gz ZNIIDTRZCNSMCA-UHFFFAOYSA-N 0 3 384.404 -1.195 20 0 GAADHN CN(CCOCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591112678 1076121118 /nfs/dbraw/zinc/12/11/18/1076121118.db2.gz OKSAPVGOFKSMMJ-LLVKDONJSA-N 0 3 390.404 -1.322 20 0 GAADHN CN(CCOCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591112679 1076121198 /nfs/dbraw/zinc/12/11/98/1076121198.db2.gz OKSAPVGOFKSMMJ-NSHDSACASA-N 0 3 390.404 -1.322 20 0 GAADHN CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC001591119000 1076123536 /nfs/dbraw/zinc/12/35/36/1076123536.db2.gz HSQBQOPMDCFXKN-UHFFFAOYSA-N 0 3 386.460 -1.111 20 0 GAADHN CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC001591119000 1076123531 /nfs/dbraw/zinc/12/35/31/1076123531.db2.gz HSQBQOPMDCFXKN-UHFFFAOYSA-N 0 3 386.460 -1.111 20 0 GAADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001591168729 1076129310 /nfs/dbraw/zinc/12/93/10/1076129310.db2.gz XOGRNVVYDSVONH-UHFFFAOYSA-N 0 3 390.452 -1.417 20 0 GAADHN C[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591179841 1076132716 /nfs/dbraw/zinc/13/27/16/1076132716.db2.gz DMZBHGYGSKMXBU-HNNXBMFYSA-N 0 3 395.445 -1.672 20 0 GAADHN C[N@@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591179841 1076132713 /nfs/dbraw/zinc/13/27/13/1076132713.db2.gz DMZBHGYGSKMXBU-HNNXBMFYSA-N 0 3 395.445 -1.672 20 0 GAADHN C[N@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591179849 1076132680 /nfs/dbraw/zinc/13/26/80/1076132680.db2.gz DMZBHGYGSKMXBU-OAHLLOKOSA-N 0 3 395.445 -1.672 20 0 GAADHN C[N@@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591179849 1076132678 /nfs/dbraw/zinc/13/26/78/1076132678.db2.gz DMZBHGYGSKMXBU-OAHLLOKOSA-N 0 3 395.445 -1.672 20 0 GAADHN CN1CCN(C(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)[C@H](C[NH3+])C1 ZINC001591190469 1076133636 /nfs/dbraw/zinc/13/36/36/1076133636.db2.gz CSPYJEFZOBUQRR-GFCCVEGCSA-N 0 3 376.396 -1.277 20 0 GAADHN CN1CCN(C(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)[C@@H](C[NH3+])C1 ZINC001591190470 1076133616 /nfs/dbraw/zinc/13/36/16/1076133616.db2.gz CSPYJEFZOBUQRR-LBPRGKRZSA-N 0 3 376.396 -1.277 20 0 GAADHN CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001591190527 1076133689 /nfs/dbraw/zinc/13/36/89/1076133689.db2.gz GIZLZXWQAWIYFC-LLVKDONJSA-N 0 3 378.462 -1.012 20 0 GAADHN CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001591190527 1076133686 /nfs/dbraw/zinc/13/36/86/1076133686.db2.gz GIZLZXWQAWIYFC-LLVKDONJSA-N 0 3 378.462 -1.012 20 0 GAADHN CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001591190528 1076133734 /nfs/dbraw/zinc/13/37/34/1076133734.db2.gz GIZLZXWQAWIYFC-NSHDSACASA-N 0 3 378.462 -1.012 20 0 GAADHN CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001591190528 1076133732 /nfs/dbraw/zinc/13/37/32/1076133732.db2.gz GIZLZXWQAWIYFC-NSHDSACASA-N 0 3 378.462 -1.012 20 0 GAADHN CN1CC[NH+](CCCCNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591192304 1076134329 /nfs/dbraw/zinc/13/43/29/1076134329.db2.gz FCMKYYUNDKKZHO-UHFFFAOYSA-N 0 3 377.457 -1.215 20 0 GAADHN CN(CCOCCNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001591194474 1076134718 /nfs/dbraw/zinc/13/47/18/1076134718.db2.gz RRXQJQRXLNKRHB-HNNXBMFYSA-N 0 3 390.448 -1.099 20 0 GAADHN CN(CCOCCNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001591194475 1076134996 /nfs/dbraw/zinc/13/49/96/1076134996.db2.gz RRXQJQRXLNKRHB-OAHLLOKOSA-N 0 3 390.448 -1.099 20 0 GAADHN CN1CCO[C@H](C(=O)NCCOCCCNc2ccncc2-c2nn[nH]n2)C1 ZINC001591194818 1076135236 /nfs/dbraw/zinc/13/52/36/1076135236.db2.gz JHXNRXJBKFYPHI-HNNXBMFYSA-N 0 3 390.448 -1.051 20 0 GAADHN CN1CCO[C@@H](C(=O)NCCOCCCNc2ccncc2-c2nn[nH]n2)C1 ZINC001591194819 1076135449 /nfs/dbraw/zinc/13/54/49/1076135449.db2.gz JHXNRXJBKFYPHI-OAHLLOKOSA-N 0 3 390.448 -1.051 20 0 GAADHN CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591210449 1076139675 /nfs/dbraw/zinc/13/96/75/1076139675.db2.gz HCBUXQOYLOMJKW-UHFFFAOYSA-N 0 3 376.421 -1.294 20 0 GAADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001591214684 1076140178 /nfs/dbraw/zinc/14/01/78/1076140178.db2.gz BZAHBVXWHQFISW-GFCCVEGCSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001591214684 1076140173 /nfs/dbraw/zinc/14/01/73/1076140173.db2.gz BZAHBVXWHQFISW-GFCCVEGCSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001591214686 1076140234 /nfs/dbraw/zinc/14/02/34/1076140234.db2.gz BZAHBVXWHQFISW-LBPRGKRZSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001591214686 1076140230 /nfs/dbraw/zinc/14/02/30/1076140230.db2.gz BZAHBVXWHQFISW-LBPRGKRZSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001591216141 1076140161 /nfs/dbraw/zinc/14/01/61/1076140161.db2.gz PTQMEXQBMQESFQ-GFCCVEGCSA-N 0 3 385.432 -1.269 20 0 GAADHN C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001591216141 1076140157 /nfs/dbraw/zinc/14/01/57/1076140157.db2.gz PTQMEXQBMQESFQ-GFCCVEGCSA-N 0 3 385.432 -1.269 20 0 GAADHN C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001591216142 1076140249 /nfs/dbraw/zinc/14/02/49/1076140249.db2.gz PTQMEXQBMQESFQ-LBPRGKRZSA-N 0 3 385.432 -1.269 20 0 GAADHN C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001591216142 1076140244 /nfs/dbraw/zinc/14/02/44/1076140244.db2.gz PTQMEXQBMQESFQ-LBPRGKRZSA-N 0 3 385.432 -1.269 20 0 GAADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001591216145 1076140028 /nfs/dbraw/zinc/14/00/28/1076140028.db2.gz PWFQNQDGZWYSIU-GFCCVEGCSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001591216145 1076140023 /nfs/dbraw/zinc/14/00/23/1076140023.db2.gz PWFQNQDGZWYSIU-GFCCVEGCSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001591216146 1076140016 /nfs/dbraw/zinc/14/00/16/1076140016.db2.gz PWFQNQDGZWYSIU-LBPRGKRZSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001591216146 1076140011 /nfs/dbraw/zinc/14/00/11/1076140011.db2.gz PWFQNQDGZWYSIU-LBPRGKRZSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001591216177 1076140057 /nfs/dbraw/zinc/14/00/57/1076140057.db2.gz QVCHWQLTTZUYHA-JTQLQIEISA-N 0 3 390.452 -1.719 20 0 GAADHN C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001591216177 1076140052 /nfs/dbraw/zinc/14/00/52/1076140052.db2.gz QVCHWQLTTZUYHA-JTQLQIEISA-N 0 3 390.452 -1.719 20 0 GAADHN C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001591216178 1076140098 /nfs/dbraw/zinc/14/00/98/1076140098.db2.gz QVCHWQLTTZUYHA-SNVBAGLBSA-N 0 3 390.452 -1.719 20 0 GAADHN C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001591216178 1076140094 /nfs/dbraw/zinc/14/00/94/1076140094.db2.gz QVCHWQLTTZUYHA-SNVBAGLBSA-N 0 3 390.452 -1.719 20 0 GAADHN C[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001591217123 1076140714 /nfs/dbraw/zinc/14/07/14/1076140714.db2.gz YTBXRKDJZWANRR-UHFFFAOYSA-N 0 3 376.396 -1.010 20 0 GAADHN C[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001591217123 1076140712 /nfs/dbraw/zinc/14/07/12/1076140712.db2.gz YTBXRKDJZWANRR-UHFFFAOYSA-N 0 3 376.396 -1.010 20 0 GAADHN C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001591217527 1076140653 /nfs/dbraw/zinc/14/06/53/1076140653.db2.gz IMBKSCJXAZNUCU-CYBMUJFWSA-N 0 3 399.459 -1.022 20 0 GAADHN C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001591217527 1076140650 /nfs/dbraw/zinc/14/06/50/1076140650.db2.gz IMBKSCJXAZNUCU-CYBMUJFWSA-N 0 3 399.459 -1.022 20 0 GAADHN C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001591217528 1076140702 /nfs/dbraw/zinc/14/07/02/1076140702.db2.gz IMBKSCJXAZNUCU-ZDUSSCGKSA-N 0 3 399.459 -1.022 20 0 GAADHN C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001591217528 1076140700 /nfs/dbraw/zinc/14/07/00/1076140700.db2.gz IMBKSCJXAZNUCU-ZDUSSCGKSA-N 0 3 399.459 -1.022 20 0 GAADHN C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001591217975 1076140738 /nfs/dbraw/zinc/14/07/38/1076140738.db2.gz IYDBAOBTTKDTII-UHFFFAOYSA-N 0 3 387.448 -1.022 20 0 GAADHN C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001591217975 1076140736 /nfs/dbraw/zinc/14/07/36/1076140736.db2.gz IYDBAOBTTKDTII-UHFFFAOYSA-N 0 3 387.448 -1.022 20 0 GAADHN C[NH2+]CCOCCNC(=O)N1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001591218911 1076140625 /nfs/dbraw/zinc/14/06/25/1076140625.db2.gz LEEZZMZSEQHONE-UHFFFAOYSA-N 0 3 392.468 -1.024 20 0 GAADHN C[NH2+]CCOCCNC(=O)N1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001591218911 1076140623 /nfs/dbraw/zinc/14/06/23/1076140623.db2.gz LEEZZMZSEQHONE-UHFFFAOYSA-N 0 3 392.468 -1.024 20 0 GAADHN CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001591220316 1076142583 /nfs/dbraw/zinc/14/25/83/1076142583.db2.gz XGAAJVCGASMCHC-UHFFFAOYSA-N 0 3 382.450 -1.532 20 0 GAADHN CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001591220316 1076142581 /nfs/dbraw/zinc/14/25/81/1076142581.db2.gz XGAAJVCGASMCHC-UHFFFAOYSA-N 0 3 382.450 -1.532 20 0 GAADHN COCC[N@@H+](C)C[C@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001591420887 1076151697 /nfs/dbraw/zinc/15/16/97/1076151697.db2.gz KZWSVVJVQMDHCB-AWEZNQCLSA-N 0 3 393.496 -1.030 20 0 GAADHN COCC[N@H+](C)C[C@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001591420887 1076151694 /nfs/dbraw/zinc/15/16/94/1076151694.db2.gz KZWSVVJVQMDHCB-AWEZNQCLSA-N 0 3 393.496 -1.030 20 0 GAADHN COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001591420891 1076151767 /nfs/dbraw/zinc/15/17/67/1076151767.db2.gz KZWSVVJVQMDHCB-CQSZACIVSA-N 0 3 393.496 -1.030 20 0 GAADHN COCC[N@H+](C)C[C@@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001591420891 1076151763 /nfs/dbraw/zinc/15/17/63/1076151763.db2.gz KZWSVVJVQMDHCB-CQSZACIVSA-N 0 3 393.496 -1.030 20 0 GAADHN COCC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591430903 1076153205 /nfs/dbraw/zinc/15/32/05/1076153205.db2.gz OPKXUGNKDQZEPS-UHFFFAOYSA-N 0 3 383.434 -1.503 20 0 GAADHN COCC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591430903 1076153201 /nfs/dbraw/zinc/15/32/01/1076153201.db2.gz OPKXUGNKDQZEPS-UHFFFAOYSA-N 0 3 383.434 -1.503 20 0 GAADHN COCCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591437223 1076155254 /nfs/dbraw/zinc/15/52/54/1076155254.db2.gz SMOMFXPYQFRFSI-CXTNEJHOSA-N 0 3 391.432 -1.121 20 0 GAADHN COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591437223 1076155251 /nfs/dbraw/zinc/15/52/51/1076155251.db2.gz SMOMFXPYQFRFSI-CXTNEJHOSA-N 0 3 391.432 -1.121 20 0 GAADHN COCCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591437223 1076155248 /nfs/dbraw/zinc/15/52/48/1076155248.db2.gz SMOMFXPYQFRFSI-CXTNEJHOSA-N 0 3 391.432 -1.121 20 0 GAADHN COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591437223 1076155244 /nfs/dbraw/zinc/15/52/44/1076155244.db2.gz SMOMFXPYQFRFSI-CXTNEJHOSA-N 0 3 391.432 -1.121 20 0 GAADHN COCCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591437230 1076155443 /nfs/dbraw/zinc/15/54/43/1076155443.db2.gz SMOMFXPYQFRFSI-RMRHIDDWSA-N 0 3 391.432 -1.121 20 0 GAADHN COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591437230 1076155433 /nfs/dbraw/zinc/15/54/33/1076155433.db2.gz SMOMFXPYQFRFSI-RMRHIDDWSA-N 0 3 391.432 -1.121 20 0 GAADHN COCCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591437230 1076155431 /nfs/dbraw/zinc/15/54/31/1076155431.db2.gz SMOMFXPYQFRFSI-RMRHIDDWSA-N 0 3 391.432 -1.121 20 0 GAADHN COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591437230 1076155425 /nfs/dbraw/zinc/15/54/25/1076155425.db2.gz SMOMFXPYQFRFSI-RMRHIDDWSA-N 0 3 391.432 -1.121 20 0 GAADHN COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)CN1C(=O)CNC1=O ZINC001591561695 1076160487 /nfs/dbraw/zinc/16/04/87/1076160487.db2.gz MEDPOQYDFJWODZ-UHFFFAOYSA-N 0 3 388.388 -1.367 20 0 GAADHN COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)CN1CCOCC1=O ZINC001591561951 1076160564 /nfs/dbraw/zinc/16/05/64/1076160564.db2.gz RXEMYKUEHJFEPL-UHFFFAOYSA-N 0 3 389.416 -1.060 20 0 GAADHN COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)Cn1ncn(C)c1=O ZINC001591562274 1076161120 /nfs/dbraw/zinc/16/11/20/1076161120.db2.gz WZGUZBPRFBCBIH-UHFFFAOYSA-N 0 3 387.404 -1.324 20 0 GAADHN COc1ccc(C[N@@H+](C)CCOCCNC(=O)C(N)=O)cc1-c1nn[n-]n1 ZINC001591587060 1076161032 /nfs/dbraw/zinc/16/10/32/1076161032.db2.gz NZTQGORYALGDHB-UHFFFAOYSA-N 0 3 377.405 -1.075 20 0 GAADHN COc1ccc(C[N@H+](C)CCOCCNC(=O)C(N)=O)cc1-c1nn[n-]n1 ZINC001591587060 1076161028 /nfs/dbraw/zinc/16/10/28/1076161028.db2.gz NZTQGORYALGDHB-UHFFFAOYSA-N 0 3 377.405 -1.075 20 0 GAADHN COc1ccc(C[N@@H+](C)CCOCCNC(=O)C(N)=O)cc1-c1nnn[n-]1 ZINC001591587060 1076161023 /nfs/dbraw/zinc/16/10/23/1076161023.db2.gz NZTQGORYALGDHB-UHFFFAOYSA-N 0 3 377.405 -1.075 20 0 GAADHN COc1ccc(C[N@H+](C)CCOCCNC(=O)C(N)=O)cc1-c1nnn[n-]1 ZINC001591587060 1076161020 /nfs/dbraw/zinc/16/10/20/1076161020.db2.gz NZTQGORYALGDHB-UHFFFAOYSA-N 0 3 377.405 -1.075 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)cc1-c1nn[n-]n1 ZINC001591597761 1076161445 /nfs/dbraw/zinc/16/14/45/1076161445.db2.gz NWZTWSIOSTYMBK-LLVKDONJSA-N 0 3 391.432 -1.047 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)cc1-c1nnn[n-]1 ZINC001591597761 1076161440 /nfs/dbraw/zinc/16/14/40/1076161440.db2.gz NWZTWSIOSTYMBK-LLVKDONJSA-N 0 3 391.432 -1.047 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)cc1-c1nn[n-]n1 ZINC001591597762 1076162113 /nfs/dbraw/zinc/16/21/13/1076162113.db2.gz NWZTWSIOSTYMBK-NSHDSACASA-N 0 3 391.432 -1.047 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)cc1-c1nnn[n-]1 ZINC001591597762 1076162109 /nfs/dbraw/zinc/16/21/09/1076162109.db2.gz NWZTWSIOSTYMBK-NSHDSACASA-N 0 3 391.432 -1.047 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2(C(N)=O)CC2)cc1-c1nn[n-]n1 ZINC001591597996 1076161967 /nfs/dbraw/zinc/16/19/67/1076161967.db2.gz YYQMBXMJILIDDB-LLVKDONJSA-N 0 3 389.416 -1.293 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2(C(N)=O)CC2)cc1-c1nnn[n-]1 ZINC001591597996 1076161964 /nfs/dbraw/zinc/16/19/64/1076161964.db2.gz YYQMBXMJILIDDB-LLVKDONJSA-N 0 3 389.416 -1.293 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C2(C(N)=O)CC2)cc1-c1nn[n-]n1 ZINC001591597997 1076161904 /nfs/dbraw/zinc/16/19/04/1076161904.db2.gz YYQMBXMJILIDDB-NSHDSACASA-N 0 3 389.416 -1.293 20 0 GAADHN COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C2(C(N)=O)CC2)cc1-c1nnn[n-]1 ZINC001591597997 1076161899 /nfs/dbraw/zinc/16/18/99/1076161899.db2.gz YYQMBXMJILIDDB-NSHDSACASA-N 0 3 389.416 -1.293 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1-c1nn[n-]n1 ZINC001591598031 1076162097 /nfs/dbraw/zinc/16/20/97/1076162097.db2.gz FKSKXQQDZBEIPW-LLVKDONJSA-N 0 3 375.389 -1.322 20 0 GAADHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1-c1nnn[n-]1 ZINC001591598031 1076162089 /nfs/dbraw/zinc/16/20/89/1076162089.db2.gz FKSKXQQDZBEIPW-LLVKDONJSA-N 0 3 375.389 -1.322 20 0 GAADHN COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)cc1-c1nn[n-]n1 ZINC001591598032 1076161957 /nfs/dbraw/zinc/16/19/57/1076161957.db2.gz FKSKXQQDZBEIPW-NSHDSACASA-N 0 3 375.389 -1.322 20 0 GAADHN COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)cc1-c1nnn[n-]1 ZINC001591598032 1076161953 /nfs/dbraw/zinc/16/19/53/1076161953.db2.gz FKSKXQQDZBEIPW-NSHDSACASA-N 0 3 375.389 -1.322 20 0 GAADHN COc1ccc(C[NH2+]CCOCCN(C)C(=O)C(N)=O)cc1-c1nn[n-]n1 ZINC001591599578 1076162050 /nfs/dbraw/zinc/16/20/50/1076162050.db2.gz NEEIUWOQBDUKCD-UHFFFAOYSA-N 0 3 377.405 -1.075 20 0 GAADHN COc1ccc(C[NH2+]CCOCCN(C)C(=O)C(N)=O)cc1-c1nnn[n-]1 ZINC001591599578 1076162045 /nfs/dbraw/zinc/16/20/45/1076162045.db2.gz NEEIUWOQBDUKCD-UHFFFAOYSA-N 0 3 377.405 -1.075 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591679447 1076165012 /nfs/dbraw/zinc/16/50/12/1076165012.db2.gz CQURIIONXBMIBA-MGCOHNPYSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001591679447 1076165010 /nfs/dbraw/zinc/16/50/10/1076165010.db2.gz CQURIIONXBMIBA-MGCOHNPYSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591679539 1076164986 /nfs/dbraw/zinc/16/49/86/1076164986.db2.gz LGYRRYOWCICYTI-HOMQSWHASA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591679539 1076164984 /nfs/dbraw/zinc/16/49/84/1076164984.db2.gz LGYRRYOWCICYTI-HOMQSWHASA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591679540 1076165047 /nfs/dbraw/zinc/16/50/47/1076165047.db2.gz LGYRRYOWCICYTI-UHFFFAOYSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591679540 1076165043 /nfs/dbraw/zinc/16/50/43/1076165043.db2.gz LGYRRYOWCICYTI-UHFFFAOYSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001591679605 1076165139 /nfs/dbraw/zinc/16/51/39/1076165139.db2.gz PTKDXWYHYGJAOG-GFCCVEGCSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001591679605 1076165135 /nfs/dbraw/zinc/16/51/35/1076165135.db2.gz PTKDXWYHYGJAOG-GFCCVEGCSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001591679606 1076165089 /nfs/dbraw/zinc/16/50/89/1076165089.db2.gz PTKDXWYHYGJAOG-LBPRGKRZSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001591679606 1076165085 /nfs/dbraw/zinc/16/50/85/1076165085.db2.gz PTKDXWYHYGJAOG-LBPRGKRZSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591679667 1076165072 /nfs/dbraw/zinc/16/50/72/1076165072.db2.gz UGINDLOYZBKPCZ-UHFFFAOYSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001591679674 1076165032 /nfs/dbraw/zinc/16/50/32/1076165032.db2.gz UVRBPSBJJZDLPO-GFCCVEGCSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001591679674 1076165031 /nfs/dbraw/zinc/16/50/31/1076165031.db2.gz UVRBPSBJJZDLPO-GFCCVEGCSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001591679675 1076165129 /nfs/dbraw/zinc/16/51/29/1076165129.db2.gz UVRBPSBJJZDLPO-LBPRGKRZSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+]C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001591679675 1076165124 /nfs/dbraw/zinc/16/51/24/1076165124.db2.gz UVRBPSBJJZDLPO-LBPRGKRZSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001591679702 1076164992 /nfs/dbraw/zinc/16/49/92/1076164992.db2.gz XDQWPGBCYTUKPC-GFCCVEGCSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001591679703 1076165145 /nfs/dbraw/zinc/16/51/45/1076165145.db2.gz XDQWPGBCYTUKPC-LBPRGKRZSA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591679720 1076165615 /nfs/dbraw/zinc/16/56/15/1076165615.db2.gz YEXALTCCUDISQQ-LLVKDONJSA-N 0 3 382.450 -1.062 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591679720 1076165613 /nfs/dbraw/zinc/16/56/13/1076165613.db2.gz YEXALTCCUDISQQ-LLVKDONJSA-N 0 3 382.450 -1.062 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591679742 1076165543 /nfs/dbraw/zinc/16/55/43/1076165543.db2.gz ZTNDUWAIZZBRJO-MGCOHNPYSA-N 0 3 382.450 -1.158 20 0 GAADHN C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001591721553 1076166452 /nfs/dbraw/zinc/16/64/52/1076166452.db2.gz BZWKXEFSRAYCQF-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001591721553 1076166450 /nfs/dbraw/zinc/16/64/50/1076166450.db2.gz BZWKXEFSRAYCQF-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001591721668 1076166362 /nfs/dbraw/zinc/16/63/62/1076166362.db2.gz SSIGTRFKXRSXEC-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001591721668 1076166361 /nfs/dbraw/zinc/16/63/61/1076166361.db2.gz SSIGTRFKXRSXEC-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](CN(C)CCC[NH+](C)C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001591723208 1076166368 /nfs/dbraw/zinc/16/63/68/1076166368.db2.gz RLTNLDXRDQZHAO-NSHDSACASA-N 0 3 379.469 -1.052 20 0 GAADHN C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591723684 1076166469 /nfs/dbraw/zinc/16/64/69/1076166469.db2.gz JHADZKSXPUGNMH-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001591723684 1076166468 /nfs/dbraw/zinc/16/64/68/1076166468.db2.gz JHADZKSXPUGNMH-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591723742 1076166381 /nfs/dbraw/zinc/16/63/81/1076166381.db2.gz RQOVJJITVDCSDM-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591723742 1076166380 /nfs/dbraw/zinc/16/63/80/1076166380.db2.gz RQOVJJITVDCSDM-VIFPVBQESA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001591753453 1076168940 /nfs/dbraw/zinc/16/89/40/1076168940.db2.gz BIOWUFNADQKYPZ-WCQYABFASA-N 0 3 385.432 -1.223 20 0 GAADHN C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001591753453 1076168935 /nfs/dbraw/zinc/16/89/35/1076168935.db2.gz BIOWUFNADQKYPZ-WCQYABFASA-N 0 3 385.432 -1.223 20 0 GAADHN C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001591760628 1076170096 /nfs/dbraw/zinc/17/00/96/1076170096.db2.gz RBRLLYNVMJFWRJ-MFKMUULPSA-N 0 3 386.416 -1.058 20 0 GAADHN C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001591760629 1076170104 /nfs/dbraw/zinc/17/01/04/1076170104.db2.gz RBRLLYNVMJFWRJ-ZWNOBZJWSA-N 0 3 386.416 -1.058 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591761820 1076170372 /nfs/dbraw/zinc/17/03/72/1076170372.db2.gz KBTCQJOZWADOFL-KOLCDFICSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591761820 1076170370 /nfs/dbraw/zinc/17/03/70/1076170370.db2.gz KBTCQJOZWADOFL-KOLCDFICSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591761822 1076170426 /nfs/dbraw/zinc/17/04/26/1076170426.db2.gz KBTCQJOZWADOFL-MWLCHTKSSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591761822 1076170420 /nfs/dbraw/zinc/17/04/20/1076170420.db2.gz KBTCQJOZWADOFL-MWLCHTKSSA-N 0 3 390.404 -1.587 20 0 GAADHN C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591762241 1076170381 /nfs/dbraw/zinc/17/03/81/1076170381.db2.gz RQOVJJITVDCSDM-SECBINFHSA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591762241 1076170379 /nfs/dbraw/zinc/17/03/79/1076170379.db2.gz RQOVJJITVDCSDM-SECBINFHSA-N 0 3 375.393 -1.155 20 0 GAADHN C[C@H](NC(N)=O)C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591768783 1076170396 /nfs/dbraw/zinc/17/03/96/1076170396.db2.gz FTDZAUTWTZDNFF-NSHDSACASA-N 0 3 376.421 -1.166 20 0 GAADHN Cc1cc(N2CCN([C@@H]3CCN(C(=O)C(N)=O)C3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592007840 1076176893 /nfs/dbraw/zinc/17/68/93/1076176893.db2.gz NYCVPDPSNZLDSY-GFCCVEGCSA-N 0 3 385.432 -1.222 20 0 GAADHN Cc1cc(N2CCN([C@H]3CCN(C(=O)C(N)=O)C3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592007841 1076176994 /nfs/dbraw/zinc/17/69/94/1076176994.db2.gz NYCVPDPSNZLDSY-LBPRGKRZSA-N 0 3 385.432 -1.222 20 0 GAADHN Cc1cc(N2CCN(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592007962 1076176906 /nfs/dbraw/zinc/17/69/06/1076176906.db2.gz XEQYJCCBYGAZBH-OLZOCXBDSA-N 0 3 399.459 -1.070 20 0 GAADHN Cc1cc(N2C[C@H](O)C[C@H](O)C2)c(-c2nn[n-]n2)c(N2C[C@H](O)C[C@H](O)C2)[nH+]1 ZINC001592010229 1076177057 /nfs/dbraw/zinc/17/70/57/1076177057.db2.gz PWHPAYPLMCHMFS-MPZDIEGVSA-N 0 3 391.432 -1.566 20 0 GAADHN Cc1cc(N2C[C@H](O)C[C@H](O)C2)c(-c2nnn[n-]2)c(N2C[C@H](O)C[C@H](O)C2)[nH+]1 ZINC001592010229 1076177055 /nfs/dbraw/zinc/17/70/55/1076177055.db2.gz PWHPAYPLMCHMFS-MPZDIEGVSA-N 0 3 391.432 -1.566 20 0 GAADHN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010718 1076177388 /nfs/dbraw/zinc/17/73/88/1076177388.db2.gz CVDXVEHDGAGCFJ-SNPRPXQTSA-N 0 3 388.432 -1.434 20 0 GAADHN Cc1cc(N2C[C@@H](NC(=O)[C@H]3CN(C)CCO3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010719 1076177499 /nfs/dbraw/zinc/17/74/99/1076177499.db2.gz CVDXVEHDGAGCFJ-VHDGCEQUSA-N 0 3 388.432 -1.434 20 0 GAADHN Cc1ncc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1-c1nn[n-]n1 ZINC001592413107 1076182280 /nfs/dbraw/zinc/18/22/80/1076182280.db2.gz OBNKBPWDXFSNPJ-UHFFFAOYSA-N 0 3 394.461 -1.035 20 0 GAADHN Cc1ncc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1-c1nnn[n-]1 ZINC001592413107 1076182278 /nfs/dbraw/zinc/18/22/78/1076182278.db2.gz OBNKBPWDXFSNPJ-UHFFFAOYSA-N 0 3 394.461 -1.035 20 0 GAADHN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC2)c1-c1nn[n-]n1 ZINC001592431184 1076182781 /nfs/dbraw/zinc/18/27/81/1076182781.db2.gz PEFVRHQKPJJOEH-JTQLQIEISA-N 0 3 390.452 -1.589 20 0 GAADHN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC2)c1-c1nnn[n-]1 ZINC001592431184 1076182777 /nfs/dbraw/zinc/18/27/77/1076182777.db2.gz PEFVRHQKPJJOEH-JTQLQIEISA-N 0 3 390.452 -1.589 20 0 GAADHN Cc1nsc(N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1-c1nnn[n-]1 ZINC001592473457 1076184230 /nfs/dbraw/zinc/18/42/30/1076184230.db2.gz ATRGZIAAFIGZKW-UHFFFAOYSA-N 0 3 379.450 -1.303 20 0 GAADHN Cn1c(=O)ccn(CC(=O)NCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1=O ZINC001592547402 1076186052 /nfs/dbraw/zinc/18/60/52/1076186052.db2.gz YUCRZWDOJLSTRP-UHFFFAOYSA-N 0 3 384.400 -1.367 20 0 GAADHN Cn1c(=O)ccn(CC(=O)NCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c1=O ZINC001592547402 1076186048 /nfs/dbraw/zinc/18/60/48/1076186048.db2.gz YUCRZWDOJLSTRP-UHFFFAOYSA-N 0 3 384.400 -1.367 20 0 GAADHN Cn1c(=O)cc(C[NH2+]CCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n(C)c1=O ZINC001592552504 1076186154 /nfs/dbraw/zinc/18/61/54/1076186154.db2.gz FNFAIHCCVBYBDR-UHFFFAOYSA-N 0 3 387.404 -1.498 20 0 GAADHN Cn1c(=O)cc(C[NH2+]CCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n(C)c1=O ZINC001592552504 1076186150 /nfs/dbraw/zinc/18/61/50/1076186150.db2.gz FNFAIHCCVBYBDR-UHFFFAOYSA-N 0 3 387.404 -1.498 20 0 GAADHN Cn1cc(C(=O)NCC[NH2+]Cc2ccccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC001592565213 1076188663 /nfs/dbraw/zinc/18/86/63/1076188663.db2.gz ISTAEKVKLMFVAT-UHFFFAOYSA-N 0 3 384.400 -1.216 20 0 GAADHN Cn1cc(C(=O)NCC[NH2+]Cc2ccccc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC001592565213 1076188659 /nfs/dbraw/zinc/18/86/59/1076188659.db2.gz ISTAEKVKLMFVAT-UHFFFAOYSA-N 0 3 384.400 -1.216 20 0 GAADHN Cn1cc(C(=O)NCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC001592565377 1076188708 /nfs/dbraw/zinc/18/87/08/1076188708.db2.gz MKDARSPCSFFXMA-UHFFFAOYSA-N 0 3 384.400 -1.216 20 0 GAADHN Cn1cc(C(=O)NCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC001592565377 1076188700 /nfs/dbraw/zinc/18/87/00/1076188700.db2.gz MKDARSPCSFFXMA-UHFFFAOYSA-N 0 3 384.400 -1.216 20 0 GAADHN Cn1cnn(CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)c1=O ZINC001592591381 1076192290 /nfs/dbraw/zinc/19/22/90/1076192290.db2.gz FGGRXTRHLRIINM-UHFFFAOYSA-N 0 3 375.368 -1.193 20 0 GAADHN NC(=O)C(=O)N1CCC(O)(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001592711642 1076197095 /nfs/dbraw/zinc/19/70/95/1076197095.db2.gz USYRXLCXHSFFLX-UHFFFAOYSA-N 0 3 377.380 -1.066 20 0 GAADHN NC(=O)C(=O)N1CCC(O)(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001592711642 1076197092 /nfs/dbraw/zinc/19/70/92/1076197092.db2.gz USYRXLCXHSFFLX-UHFFFAOYSA-N 0 3 377.380 -1.066 20 0 GAADHN NC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001592718305 1076199384 /nfs/dbraw/zinc/19/93/84/1076199384.db2.gz KARLLKICOHTOBB-JTQLQIEISA-N 0 3 377.380 -1.162 20 0 GAADHN NC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001592718306 1076199514 /nfs/dbraw/zinc/19/95/14/1076199514.db2.gz KARLLKICOHTOBB-SNVBAGLBSA-N 0 3 377.380 -1.162 20 0 GAADHN NC(=O)CC(=O)N1CC[C@@H](N2CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001592725102 1076200710 /nfs/dbraw/zinc/20/07/10/1076200710.db2.gz ZLUOZFGIOYXLHB-GFCCVEGCSA-N 0 3 385.432 -1.140 20 0 GAADHN NC(=O)CC(=O)N1CC[C@H](N2CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001592725103 1076200822 /nfs/dbraw/zinc/20/08/22/1076200822.db2.gz ZLUOZFGIOYXLHB-LBPRGKRZSA-N 0 3 385.432 -1.140 20 0 GAADHN NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)nn1 ZINC001592730711 1076202195 /nfs/dbraw/zinc/20/21/95/1076202195.db2.gz TVTFNMVLIHCPHH-UHFFFAOYSA-N 0 3 388.367 -1.398 20 0 GAADHN NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592738473 1076203467 /nfs/dbraw/zinc/20/34/67/1076203467.db2.gz QECFQIDMBYEZTH-UHFFFAOYSA-N 0 3 384.404 -1.147 20 0 GAADHN NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592738473 1076203462 /nfs/dbraw/zinc/20/34/62/1076203462.db2.gz QECFQIDMBYEZTH-UHFFFAOYSA-N 0 3 384.404 -1.147 20 0 GAADHN NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001592739006 1076203339 /nfs/dbraw/zinc/20/33/39/1076203339.db2.gz ZCTYGMUNCGZCAJ-UHFFFAOYSA-N 0 3 384.404 -1.147 20 0 GAADHN NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC001592739006 1076203333 /nfs/dbraw/zinc/20/33/33/1076203333.db2.gz ZCTYGMUNCGZCAJ-UHFFFAOYSA-N 0 3 384.404 -1.147 20 0 GAADHN [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CC1 ZINC001592739131 1076203547 /nfs/dbraw/zinc/20/35/47/1076203547.db2.gz IWRBWSJGPAWKEL-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CC1 ZINC001592739131 1076203543 /nfs/dbraw/zinc/20/35/43/1076203543.db2.gz IWRBWSJGPAWKEL-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CC1 ZINC001592739132 1076203413 /nfs/dbraw/zinc/20/34/13/1076203413.db2.gz IWRBWSJGPAWKEL-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CC1 ZINC001592739132 1076203408 /nfs/dbraw/zinc/20/34/08/1076203408.db2.gz IWRBWSJGPAWKEL-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001592739513 1076203397 /nfs/dbraw/zinc/20/33/97/1076203397.db2.gz OWNDCCOTEOAZLF-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001592739513 1076203393 /nfs/dbraw/zinc/20/33/93/1076203393.db2.gz OWNDCCOTEOAZLF-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001592739514 1076203559 /nfs/dbraw/zinc/20/35/59/1076203559.db2.gz OWNDCCOTEOAZLF-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001592739514 1076203555 /nfs/dbraw/zinc/20/35/55/1076203555.db2.gz OWNDCCOTEOAZLF-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592742463 1076203937 /nfs/dbraw/zinc/20/39/37/1076203937.db2.gz DIARFETZDHOGPC-UHFFFAOYSA-N 0 3 397.443 -1.140 20 0 GAADHN [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592742463 1076203931 /nfs/dbraw/zinc/20/39/31/1076203931.db2.gz DIARFETZDHOGPC-UHFFFAOYSA-N 0 3 397.443 -1.140 20 0 GAADHN [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001592742925 1076203920 /nfs/dbraw/zinc/20/39/20/1076203920.db2.gz WKYJHDFBFFMPCP-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001592742925 1076203914 /nfs/dbraw/zinc/20/39/14/1076203914.db2.gz WKYJHDFBFFMPCP-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001592742926 1076203880 /nfs/dbraw/zinc/20/38/80/1076203880.db2.gz WKYJHDFBFFMPCP-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001592742926 1076203872 /nfs/dbraw/zinc/20/38/72/1076203872.db2.gz WKYJHDFBFFMPCP-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001592745644 1076203824 /nfs/dbraw/zinc/20/38/24/1076203824.db2.gz UZVWCVFWLOWCBV-UHFFFAOYSA-N 0 3 397.443 -1.140 20 0 GAADHN [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001592745644 1076203821 /nfs/dbraw/zinc/20/38/21/1076203821.db2.gz UZVWCVFWLOWCBV-UHFFFAOYSA-N 0 3 397.443 -1.140 20 0 GAADHN [NH3+]C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC001592745868 1076203810 /nfs/dbraw/zinc/20/38/10/1076203810.db2.gz SSMHGYSRJGDNEK-GFCCVEGCSA-N 0 3 395.445 -1.279 20 0 GAADHN [NH3+]C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC001592745868 1076203805 /nfs/dbraw/zinc/20/38/05/1076203805.db2.gz SSMHGYSRJGDNEK-GFCCVEGCSA-N 0 3 395.445 -1.279 20 0 GAADHN [NH3+]C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC001592745870 1076204044 /nfs/dbraw/zinc/20/40/44/1076204044.db2.gz SSMHGYSRJGDNEK-LBPRGKRZSA-N 0 3 395.445 -1.279 20 0 GAADHN [NH3+]C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC001592745870 1076204040 /nfs/dbraw/zinc/20/40/40/1076204040.db2.gz SSMHGYSRJGDNEK-LBPRGKRZSA-N 0 3 395.445 -1.279 20 0 GAADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC001592748391 1076204806 /nfs/dbraw/zinc/20/48/06/1076204806.db2.gz MNTVXPWTGNWRJT-CYBMUJFWSA-N 0 3 385.432 -1.140 20 0 GAADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC001592748391 1076204801 /nfs/dbraw/zinc/20/48/01/1076204801.db2.gz MNTVXPWTGNWRJT-CYBMUJFWSA-N 0 3 385.432 -1.140 20 0 GAADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001592748769 1076204768 /nfs/dbraw/zinc/20/47/68/1076204768.db2.gz RBDKCQUWHLEHFU-GFCCVEGCSA-N 0 3 385.432 -1.140 20 0 GAADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001592748769 1076204763 /nfs/dbraw/zinc/20/47/63/1076204763.db2.gz RBDKCQUWHLEHFU-GFCCVEGCSA-N 0 3 385.432 -1.140 20 0 GAADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)C1 ZINC001592748985 1076204939 /nfs/dbraw/zinc/20/49/39/1076204939.db2.gz WMQBENPXKYTUPR-GFCCVEGCSA-N 0 3 385.432 -1.140 20 0 GAADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)C1 ZINC001592748985 1076204935 /nfs/dbraw/zinc/20/49/35/1076204935.db2.gz WMQBENPXKYTUPR-GFCCVEGCSA-N 0 3 385.432 -1.140 20 0 GAADHN O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001592766321 1076205324 /nfs/dbraw/zinc/20/53/24/1076205324.db2.gz DLCOOCYNIFGNQK-UHFFFAOYSA-N 0 3 385.432 -1.268 20 0 GAADHN O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592767090 1076205292 /nfs/dbraw/zinc/20/52/92/1076205292.db2.gz NDQMFUNHQZZWEP-HZSPNIEDSA-N 0 3 398.427 -1.081 20 0 GAADHN O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592767090 1076205289 /nfs/dbraw/zinc/20/52/89/1076205289.db2.gz NDQMFUNHQZZWEP-HZSPNIEDSA-N 0 3 398.427 -1.081 20 0 GAADHN O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592767091 1076205652 /nfs/dbraw/zinc/20/56/52/1076205652.db2.gz NDQMFUNHQZZWEP-MJBXVCDLSA-N 0 3 398.427 -1.081 20 0 GAADHN O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592767091 1076205648 /nfs/dbraw/zinc/20/56/48/1076205648.db2.gz NDQMFUNHQZZWEP-MJBXVCDLSA-N 0 3 398.427 -1.081 20 0 GAADHN O=C(C(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001592767200 1076205569 /nfs/dbraw/zinc/20/55/69/1076205569.db2.gz PZXFGHNHNCSMON-OCCSQVGLSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C(C(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001592767200 1076205566 /nfs/dbraw/zinc/20/55/66/1076205566.db2.gz PZXFGHNHNCSMON-OCCSQVGLSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592767235 1076205629 /nfs/dbraw/zinc/20/56/29/1076205629.db2.gz RAFLSJQVPMBNRL-AVGNSLFASA-N 0 3 384.400 -1.186 20 0 GAADHN O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592767235 1076205624 /nfs/dbraw/zinc/20/56/24/1076205624.db2.gz RAFLSJQVPMBNRL-AVGNSLFASA-N 0 3 384.400 -1.186 20 0 GAADHN O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592767236 1076205664 /nfs/dbraw/zinc/20/56/64/1076205664.db2.gz RAFLSJQVPMBNRL-RWMBFGLXSA-N 0 3 384.400 -1.186 20 0 GAADHN O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592767236 1076205661 /nfs/dbraw/zinc/20/56/61/1076205661.db2.gz RAFLSJQVPMBNRL-RWMBFGLXSA-N 0 3 384.400 -1.186 20 0 GAADHN O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001592768048 1076206016 /nfs/dbraw/zinc/20/60/16/1076206016.db2.gz XWAPBSVHBDLZLE-BETUJISGSA-N 0 3 397.443 -1.127 20 0 GAADHN O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001592768048 1076206010 /nfs/dbraw/zinc/20/60/10/1076206010.db2.gz XWAPBSVHBDLZLE-BETUJISGSA-N 0 3 397.443 -1.127 20 0 GAADHN O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001592773234 1076205961 /nfs/dbraw/zinc/20/59/61/1076205961.db2.gz PKJNNDLSRFCFIH-CYBMUJFWSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001592773234 1076205957 /nfs/dbraw/zinc/20/59/57/1076205957.db2.gz PKJNNDLSRFCFIH-CYBMUJFWSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001592773235 1076206193 /nfs/dbraw/zinc/20/61/93/1076206193.db2.gz PKJNNDLSRFCFIH-ZDUSSCGKSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001592773235 1076206189 /nfs/dbraw/zinc/20/61/89/1076206189.db2.gz PKJNNDLSRFCFIH-ZDUSSCGKSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001592773246 1076206520 /nfs/dbraw/zinc/20/65/20/1076206520.db2.gz QFIBMQRAKHOYQA-GFCCVEGCSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001592773246 1076206515 /nfs/dbraw/zinc/20/65/15/1076206515.db2.gz QFIBMQRAKHOYQA-GFCCVEGCSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001592773247 1076206480 /nfs/dbraw/zinc/20/64/80/1076206480.db2.gz QFIBMQRAKHOYQA-LBPRGKRZSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001592773247 1076206476 /nfs/dbraw/zinc/20/64/76/1076206476.db2.gz QFIBMQRAKHOYQA-LBPRGKRZSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592810460 1076207451 /nfs/dbraw/zinc/20/74/51/1076207451.db2.gz JSISXFLJHZLGNG-CHWSQXEVSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592810461 1076207378 /nfs/dbraw/zinc/20/73/78/1076207378.db2.gz JSISXFLJHZLGNG-OLZOCXBDSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592810462 1076207213 /nfs/dbraw/zinc/20/72/13/1076207213.db2.gz JSISXFLJHZLGNG-QWHCGFSZSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592810463 1076207491 /nfs/dbraw/zinc/20/74/91/1076207491.db2.gz JSISXFLJHZLGNG-STQMWFEESA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592863010 1076211639 /nfs/dbraw/zinc/21/16/39/1076211639.db2.gz HGBSKGBPUYXTMM-GFCCVEGCSA-N 0 3 388.388 -2.015 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592863010 1076211634 /nfs/dbraw/zinc/21/16/34/1076211634.db2.gz HGBSKGBPUYXTMM-GFCCVEGCSA-N 0 3 388.388 -2.015 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592863014 1076211688 /nfs/dbraw/zinc/21/16/88/1076211688.db2.gz HGBSKGBPUYXTMM-LBPRGKRZSA-N 0 3 388.388 -2.015 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592863014 1076211682 /nfs/dbraw/zinc/21/16/82/1076211682.db2.gz HGBSKGBPUYXTMM-LBPRGKRZSA-N 0 3 388.388 -2.015 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001592863197 1076212335 /nfs/dbraw/zinc/21/23/35/1076212335.db2.gz LWHPXEMQGPZKMM-GFCCVEGCSA-N 0 3 388.388 -2.015 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001592863197 1076212327 /nfs/dbraw/zinc/21/23/27/1076212327.db2.gz LWHPXEMQGPZKMM-GFCCVEGCSA-N 0 3 388.388 -2.015 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001592863430 1076212548 /nfs/dbraw/zinc/21/25/48/1076212548.db2.gz LWHPXEMQGPZKMM-LBPRGKRZSA-N 0 3 388.388 -2.015 20 0 GAADHN O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001592863430 1076212544 /nfs/dbraw/zinc/21/25/44/1076212544.db2.gz LWHPXEMQGPZKMM-LBPRGKRZSA-N 0 3 388.388 -2.015 20 0 GAADHN O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC001592872789 1076215129 /nfs/dbraw/zinc/21/51/29/1076215129.db2.gz ITGWHTOYFSWREO-UHFFFAOYSA-N 0 3 393.429 -1.654 20 0 GAADHN O=C(Cn1cnnn1)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592942079 1076219763 /nfs/dbraw/zinc/21/97/63/1076219763.db2.gz IXGRPJQAZMURJA-UHFFFAOYSA-N 0 3 390.383 -1.397 20 0 GAADHN O=C(Cn1cnnn1)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592942079 1076219759 /nfs/dbraw/zinc/21/97/59/1076219759.db2.gz IXGRPJQAZMURJA-UHFFFAOYSA-N 0 3 390.383 -1.397 20 0 GAADHN O=C(Cn1cnnn1)N(CCO)CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001592942186 1076219869 /nfs/dbraw/zinc/21/98/69/1076219869.db2.gz VUJMTBXZASZCGW-UHFFFAOYSA-N 0 3 390.383 -1.397 20 0 GAADHN O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592943557 1076220473 /nfs/dbraw/zinc/22/04/73/1076220473.db2.gz UTYKGTUUDRYULC-CYBMUJFWSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592943557 1076220467 /nfs/dbraw/zinc/22/04/67/1076220467.db2.gz UTYKGTUUDRYULC-CYBMUJFWSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592943562 1076220483 /nfs/dbraw/zinc/22/04/83/1076220483.db2.gz UTYKGTUUDRYULC-ZDUSSCGKSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592943562 1076220480 /nfs/dbraw/zinc/22/04/80/1076220480.db2.gz UTYKGTUUDRYULC-ZDUSSCGKSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(N[C@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001592953083 1076221147 /nfs/dbraw/zinc/22/11/47/1076221147.db2.gz VZNHUFTYCDJKBV-GFCCVEGCSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(N[C@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001592953083 1076221141 /nfs/dbraw/zinc/22/11/41/1076221141.db2.gz VZNHUFTYCDJKBV-GFCCVEGCSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(N[C@@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001592953084 1076221133 /nfs/dbraw/zinc/22/11/33/1076221133.db2.gz VZNHUFTYCDJKBV-LBPRGKRZSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(N[C@@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001592953084 1076221131 /nfs/dbraw/zinc/22/11/31/1076221131.db2.gz VZNHUFTYCDJKBV-LBPRGKRZSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001592982108 1076220852 /nfs/dbraw/zinc/22/08/52/1076220852.db2.gz BDMULFLYGMGVEL-GFCCVEGCSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001592982108 1076220848 /nfs/dbraw/zinc/22/08/48/1076220848.db2.gz BDMULFLYGMGVEL-GFCCVEGCSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001592982109 1076221035 /nfs/dbraw/zinc/22/10/35/1076221035.db2.gz BDMULFLYGMGVEL-LBPRGKRZSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001592982109 1076221029 /nfs/dbraw/zinc/22/10/29/1076221029.db2.gz BDMULFLYGMGVEL-LBPRGKRZSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001592983168 1076220936 /nfs/dbraw/zinc/22/09/36/1076220936.db2.gz RGSFVDFJMQYVAD-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001592983168 1076220929 /nfs/dbraw/zinc/22/09/29/1076220929.db2.gz RGSFVDFJMQYVAD-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001592983169 1076221518 /nfs/dbraw/zinc/22/15/18/1076221518.db2.gz RGSFVDFJMQYVAD-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001592983169 1076221516 /nfs/dbraw/zinc/22/15/16/1076221516.db2.gz RGSFVDFJMQYVAD-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593006755 1076222444 /nfs/dbraw/zinc/22/24/44/1076222444.db2.gz RIXVPJBYUZHJIR-GFCCVEGCSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593006755 1076222441 /nfs/dbraw/zinc/22/24/41/1076222441.db2.gz RIXVPJBYUZHJIR-GFCCVEGCSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593006756 1076222390 /nfs/dbraw/zinc/22/23/90/1076222390.db2.gz RIXVPJBYUZHJIR-LBPRGKRZSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593006756 1076222388 /nfs/dbraw/zinc/22/23/88/1076222388.db2.gz RIXVPJBYUZHJIR-LBPRGKRZSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593012453 1076223783 /nfs/dbraw/zinc/22/37/83/1076223783.db2.gz GPCJIOOJJSKPGG-JTQLQIEISA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593012453 1076223777 /nfs/dbraw/zinc/22/37/77/1076223777.db2.gz GPCJIOOJJSKPGG-JTQLQIEISA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593012454 1076223648 /nfs/dbraw/zinc/22/36/48/1076223648.db2.gz GPCJIOOJJSKPGG-SNVBAGLBSA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593012454 1076223642 /nfs/dbraw/zinc/22/36/42/1076223642.db2.gz GPCJIOOJJSKPGG-SNVBAGLBSA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593012870 1076223789 /nfs/dbraw/zinc/22/37/89/1076223789.db2.gz UXXFHWPFAFGRJQ-JTQLQIEISA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593012870 1076223788 /nfs/dbraw/zinc/22/37/88/1076223788.db2.gz UXXFHWPFAFGRJQ-JTQLQIEISA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593012872 1076223666 /nfs/dbraw/zinc/22/36/66/1076223666.db2.gz UXXFHWPFAFGRJQ-SNVBAGLBSA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593012872 1076223660 /nfs/dbraw/zinc/22/36/60/1076223660.db2.gz UXXFHWPFAFGRJQ-SNVBAGLBSA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NCC1([NH2+]CCCN2C(=O)CNC2=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593017601 1076224096 /nfs/dbraw/zinc/22/40/96/1076224096.db2.gz HHCWSOQKIFOTNF-UHFFFAOYSA-N 0 3 387.404 -1.011 20 0 GAADHN O=C(NCC1([NH2+]CCCN2C(=O)CNC2=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593017601 1076224093 /nfs/dbraw/zinc/22/40/93/1076224093.db2.gz HHCWSOQKIFOTNF-UHFFFAOYSA-N 0 3 387.404 -1.011 20 0 GAADHN O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001593021377 1076224044 /nfs/dbraw/zinc/22/40/44/1076224044.db2.gz FCEXVOTXDFVOKP-UHFFFAOYSA-N 0 3 397.443 -1.222 20 0 GAADHN O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001593021377 1076224039 /nfs/dbraw/zinc/22/40/39/1076224039.db2.gz FCEXVOTXDFVOKP-UHFFFAOYSA-N 0 3 397.443 -1.222 20 0 GAADHN O=C(NCC1C[NH2+]C1)C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001593048035 1076226683 /nfs/dbraw/zinc/22/66/83/1076226683.db2.gz DOYYQOMRVQYPEW-UHFFFAOYSA-N 0 3 376.446 -1.088 20 0 GAADHN O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593070438 1076226998 /nfs/dbraw/zinc/22/69/98/1076226998.db2.gz AANUEHQLAJYSCQ-LLVKDONJSA-N 0 3 390.404 -1.586 20 0 GAADHN O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593070438 1076226995 /nfs/dbraw/zinc/22/69/95/1076226995.db2.gz AANUEHQLAJYSCQ-LLVKDONJSA-N 0 3 390.404 -1.586 20 0 GAADHN O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593070439 1076227081 /nfs/dbraw/zinc/22/70/81/1076227081.db2.gz AANUEHQLAJYSCQ-NSHDSACASA-N 0 3 390.404 -1.586 20 0 GAADHN O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593070439 1076227074 /nfs/dbraw/zinc/22/70/74/1076227074.db2.gz AANUEHQLAJYSCQ-NSHDSACASA-N 0 3 390.404 -1.586 20 0 GAADHN O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593071253 1076227039 /nfs/dbraw/zinc/22/70/39/1076227039.db2.gz OJBRAUSFRUQMCW-UHFFFAOYSA-N 0 3 375.393 -1.154 20 0 GAADHN O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593071253 1076227035 /nfs/dbraw/zinc/22/70/35/1076227035.db2.gz OJBRAUSFRUQMCW-UHFFFAOYSA-N 0 3 375.393 -1.154 20 0 GAADHN O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593071983 1076227432 /nfs/dbraw/zinc/22/74/32/1076227432.db2.gz TUMSGAKQZSQIQJ-LBPRGKRZSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593071983 1076227429 /nfs/dbraw/zinc/22/74/29/1076227429.db2.gz TUMSGAKQZSQIQJ-LBPRGKRZSA-N 0 3 376.421 -1.112 20 0 GAADHN O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593072009 1076227622 /nfs/dbraw/zinc/22/76/22/1076227622.db2.gz UXFITGRKXISERP-UHFFFAOYSA-N 0 3 382.450 -1.060 20 0 GAADHN O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001593072009 1076227620 /nfs/dbraw/zinc/22/76/20/1076227620.db2.gz UXFITGRKXISERP-UHFFFAOYSA-N 0 3 382.450 -1.060 20 0 GAADHN O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593072327 1076227346 /nfs/dbraw/zinc/22/73/46/1076227346.db2.gz ZNRYMBUNIRWUOR-UHFFFAOYSA-N 0 3 382.450 -1.060 20 0 GAADHN O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593072327 1076227337 /nfs/dbraw/zinc/22/73/37/1076227337.db2.gz ZNRYMBUNIRWUOR-UHFFFAOYSA-N 0 3 382.450 -1.060 20 0 GAADHN O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593084929 1076227568 /nfs/dbraw/zinc/22/75/68/1076227568.db2.gz KYEJKIUNNBOCCH-JTQLQIEISA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593084932 1076227388 /nfs/dbraw/zinc/22/73/88/1076227388.db2.gz KYEJKIUNNBOCCH-SNVBAGLBSA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001593084978 1076227373 /nfs/dbraw/zinc/22/73/73/1076227373.db2.gz LOWGMVXNVKSUTE-LLVKDONJSA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001593084978 1076227365 /nfs/dbraw/zinc/22/73/65/1076227365.db2.gz LOWGMVXNVKSUTE-LLVKDONJSA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001593084979 1076227561 /nfs/dbraw/zinc/22/75/61/1076227561.db2.gz LOWGMVXNVKSUTE-NSHDSACASA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001593084979 1076227558 /nfs/dbraw/zinc/22/75/58/1076227558.db2.gz LOWGMVXNVKSUTE-NSHDSACASA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593085476 1076227586 /nfs/dbraw/zinc/22/75/86/1076227586.db2.gz RKNVKKNOPGXUBX-SECBINFHSA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001593085476 1076227585 /nfs/dbraw/zinc/22/75/85/1076227585.db2.gz RKNVKKNOPGXUBX-SECBINFHSA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593085477 1076227836 /nfs/dbraw/zinc/22/78/36/1076227836.db2.gz RKNVKKNOPGXUBX-VIFPVBQESA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001593085477 1076227833 /nfs/dbraw/zinc/22/78/33/1076227833.db2.gz RKNVKKNOPGXUBX-VIFPVBQESA-N 0 3 376.377 -1.976 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001593085607 1076227950 /nfs/dbraw/zinc/22/79/50/1076227950.db2.gz WKESYCUYBLWYTM-LLVKDONJSA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001593085607 1076227947 /nfs/dbraw/zinc/22/79/47/1076227947.db2.gz WKESYCUYBLWYTM-LLVKDONJSA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001593085608 1076227860 /nfs/dbraw/zinc/22/78/60/1076227860.db2.gz WKESYCUYBLWYTM-NSHDSACASA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001593085608 1076227858 /nfs/dbraw/zinc/22/78/58/1076227858.db2.gz WKESYCUYBLWYTM-NSHDSACASA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001593085694 1076227889 /nfs/dbraw/zinc/22/78/89/1076227889.db2.gz ZVHSYGUCEKPXJP-LLVKDONJSA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001593085694 1076227884 /nfs/dbraw/zinc/22/78/84/1076227884.db2.gz ZVHSYGUCEKPXJP-LLVKDONJSA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001593085695 1076227822 /nfs/dbraw/zinc/22/78/22/1076227822.db2.gz ZVHSYGUCEKPXJP-NSHDSACASA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001593085695 1076227819 /nfs/dbraw/zinc/22/78/19/1076227819.db2.gz ZVHSYGUCEKPXJP-NSHDSACASA-N 0 3 376.421 -1.255 20 0 GAADHN O=C(NCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)N1 ZINC001593086041 1076228011 /nfs/dbraw/zinc/22/80/11/1076228011.db2.gz GZDNFZCFIKYHIE-GFCCVEGCSA-N 0 3 383.409 -1.097 20 0 GAADHN O=C(NCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)N1 ZINC001593086042 1076227898 /nfs/dbraw/zinc/22/78/98/1076227898.db2.gz GZDNFZCFIKYHIE-LBPRGKRZSA-N 0 3 383.409 -1.097 20 0 GAADHN O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001593086540 1076228000 /nfs/dbraw/zinc/22/80/00/1076228000.db2.gz YIYSMCYCFIPTHV-UHFFFAOYSA-N 0 3 376.396 -1.357 20 0 GAADHN O=C(NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)N1 ZINC001593088209 1076228239 /nfs/dbraw/zinc/22/82/39/1076228239.db2.gz YSFBYFUCSFNKGD-GFCCVEGCSA-N 0 3 383.409 -1.097 20 0 GAADHN O=C(NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)N1 ZINC001593088209 1076228235 /nfs/dbraw/zinc/22/82/35/1076228235.db2.gz YSFBYFUCSFNKGD-GFCCVEGCSA-N 0 3 383.409 -1.097 20 0 GAADHN O=C(NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)N1 ZINC001593088212 1076228269 /nfs/dbraw/zinc/22/82/69/1076228269.db2.gz YSFBYFUCSFNKGD-LBPRGKRZSA-N 0 3 383.409 -1.097 20 0 GAADHN O=C(NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)N1 ZINC001593088212 1076228266 /nfs/dbraw/zinc/22/82/66/1076228266.db2.gz YSFBYFUCSFNKGD-LBPRGKRZSA-N 0 3 383.409 -1.097 20 0 GAADHN O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593114552 1076230202 /nfs/dbraw/zinc/23/02/02/1076230202.db2.gz GOGQCDMBIWOAGQ-JGZJWPJOSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593114552 1076230199 /nfs/dbraw/zinc/23/01/99/1076230199.db2.gz GOGQCDMBIWOAGQ-JGZJWPJOSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593114657 1076230301 /nfs/dbraw/zinc/23/03/01/1076230301.db2.gz UCMKFEFSEUSKCX-AOOOYVTPSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001593114657 1076230298 /nfs/dbraw/zinc/23/02/98/1076230298.db2.gz UCMKFEFSEUSKCX-AOOOYVTPSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593114676 1076229987 /nfs/dbraw/zinc/22/99/87/1076229987.db2.gz WNLCVHFJJQYIBX-JGZJWPJOSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593114676 1076229985 /nfs/dbraw/zinc/22/99/85/1076229985.db2.gz WNLCVHFJJQYIBX-JGZJWPJOSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593176715 1076230778 /nfs/dbraw/zinc/23/07/78/1076230778.db2.gz AJOCEVIEVNCGNQ-OAHLLOKOSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593176715 1076230774 /nfs/dbraw/zinc/23/07/74/1076230774.db2.gz AJOCEVIEVNCGNQ-OAHLLOKOSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001593183201 1076236545 /nfs/dbraw/zinc/23/65/45/1076236545.db2.gz ZJCUODNIBRFRPI-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001593183201 1076236541 /nfs/dbraw/zinc/23/65/41/1076236541.db2.gz ZJCUODNIBRFRPI-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593189526 1076236703 /nfs/dbraw/zinc/23/67/03/1076236703.db2.gz JRAMTXGFDQKLLO-XYPYZODXSA-N 0 3 387.404 -1.013 20 0 GAADHN O=C(N[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593189526 1076236695 /nfs/dbraw/zinc/23/66/95/1076236695.db2.gz JRAMTXGFDQKLLO-XYPYZODXSA-N 0 3 387.404 -1.013 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001593316140 1076237730 /nfs/dbraw/zinc/23/77/30/1076237730.db2.gz FXILRAWXPJWHGR-UHFFFAOYSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001593316140 1076237723 /nfs/dbraw/zinc/23/77/23/1076237723.db2.gz FXILRAWXPJWHGR-UHFFFAOYSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317137 1076238102 /nfs/dbraw/zinc/23/81/02/1076238102.db2.gz ZAMBRLAQDBDCAV-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317137 1076238097 /nfs/dbraw/zinc/23/80/97/1076238097.db2.gz ZAMBRLAQDBDCAV-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317164 1076238150 /nfs/dbraw/zinc/23/81/50/1076238150.db2.gz RVHCGADPOSPKAA-JTQLQIEISA-N 0 3 387.404 -1.202 20 0 GAADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317164 1076238147 /nfs/dbraw/zinc/23/81/47/1076238147.db2.gz RVHCGADPOSPKAA-JTQLQIEISA-N 0 3 387.404 -1.202 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317165 1076237985 /nfs/dbraw/zinc/23/79/85/1076237985.db2.gz RVHCGADPOSPKAA-SNVBAGLBSA-N 0 3 387.404 -1.202 20 0 GAADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317165 1076237980 /nfs/dbraw/zinc/23/79/80/1076237980.db2.gz RVHCGADPOSPKAA-SNVBAGLBSA-N 0 3 387.404 -1.202 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593317197 1076238137 /nfs/dbraw/zinc/23/81/37/1076238137.db2.gz UHIRTYNTLIUBGZ-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593317197 1076238129 /nfs/dbraw/zinc/23/81/29/1076238129.db2.gz UHIRTYNTLIUBGZ-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593317198 1076238070 /nfs/dbraw/zinc/23/80/70/1076238070.db2.gz UHIRTYNTLIUBGZ-NSHDSACASA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593317198 1076238062 /nfs/dbraw/zinc/23/80/62/1076238062.db2.gz UHIRTYNTLIUBGZ-NSHDSACASA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593321515 1076238214 /nfs/dbraw/zinc/23/82/14/1076238214.db2.gz AOUSBXZHPXZQKF-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593321515 1076238211 /nfs/dbraw/zinc/23/82/11/1076238211.db2.gz AOUSBXZHPXZQKF-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593321517 1076238051 /nfs/dbraw/zinc/23/80/51/1076238051.db2.gz AOUSBXZHPXZQKF-NSHDSACASA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593321517 1076238043 /nfs/dbraw/zinc/23/80/43/1076238043.db2.gz AOUSBXZHPXZQKF-NSHDSACASA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001593321559 1076238166 /nfs/dbraw/zinc/23/81/66/1076238166.db2.gz DYALUIPZFUSCBR-UHFFFAOYSA-N 0 3 379.421 -1.240 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001593321559 1076238161 /nfs/dbraw/zinc/23/81/61/1076238161.db2.gz DYALUIPZFUSCBR-UHFFFAOYSA-N 0 3 379.421 -1.240 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593321811 1076238225 /nfs/dbraw/zinc/23/82/25/1076238225.db2.gz JTWUFHDDKSJJPK-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593321811 1076238221 /nfs/dbraw/zinc/23/82/21/1076238221.db2.gz JTWUFHDDKSJJPK-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593321812 1076238486 /nfs/dbraw/zinc/23/84/86/1076238486.db2.gz JTWUFHDDKSJJPK-NSHDSACASA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593321812 1076238480 /nfs/dbraw/zinc/23/84/80/1076238480.db2.gz JTWUFHDDKSJJPK-NSHDSACASA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001593322552 1076238618 /nfs/dbraw/zinc/23/86/18/1076238618.db2.gz FAQTZXCKOSDTQB-INIZCTEOSA-N 0 3 379.421 -1.240 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001593322552 1076238615 /nfs/dbraw/zinc/23/86/15/1076238615.db2.gz FAQTZXCKOSDTQB-INIZCTEOSA-N 0 3 379.421 -1.240 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001593322553 1076238653 /nfs/dbraw/zinc/23/86/53/1076238653.db2.gz FAQTZXCKOSDTQB-MRXNPFEDSA-N 0 3 379.421 -1.240 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001593322553 1076238650 /nfs/dbraw/zinc/23/86/50/1076238650.db2.gz FAQTZXCKOSDTQB-MRXNPFEDSA-N 0 3 379.421 -1.240 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593332178 1076238603 /nfs/dbraw/zinc/23/86/03/1076238603.db2.gz ITDFEJNCFCYKKI-JTQLQIEISA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593332178 1076238600 /nfs/dbraw/zinc/23/86/00/1076238600.db2.gz ITDFEJNCFCYKKI-JTQLQIEISA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593332180 1076238633 /nfs/dbraw/zinc/23/86/33/1076238633.db2.gz ITDFEJNCFCYKKI-SNVBAGLBSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593332180 1076238630 /nfs/dbraw/zinc/23/86/30/1076238630.db2.gz ITDFEJNCFCYKKI-SNVBAGLBSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001593332218 1076238551 /nfs/dbraw/zinc/23/85/51/1076238551.db2.gz JYLFFQCWVWVOSH-UHFFFAOYSA-N 0 3 379.421 -1.240 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001593332218 1076238545 /nfs/dbraw/zinc/23/85/45/1076238545.db2.gz JYLFFQCWVWVOSH-UHFFFAOYSA-N 0 3 379.421 -1.240 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593333087 1076238458 /nfs/dbraw/zinc/23/84/58/1076238458.db2.gz SWVQMRJQTUKEEO-JTQLQIEISA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593333087 1076238452 /nfs/dbraw/zinc/23/84/52/1076238452.db2.gz SWVQMRJQTUKEEO-JTQLQIEISA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593333088 1076238695 /nfs/dbraw/zinc/23/86/95/1076238695.db2.gz SWVQMRJQTUKEEO-SNVBAGLBSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593333088 1076238690 /nfs/dbraw/zinc/23/86/90/1076238690.db2.gz SWVQMRJQTUKEEO-SNVBAGLBSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC(=O)NC(=O)C1 ZINC001593381592 1076240799 /nfs/dbraw/zinc/24/07/99/1076240799.db2.gz KVTDQROZYBXJOC-GFCCVEGCSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC(=O)NC(=O)C1 ZINC001593381592 1076240795 /nfs/dbraw/zinc/24/07/95/1076240795.db2.gz KVTDQROZYBXJOC-GFCCVEGCSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC(=O)NC(=O)C1 ZINC001593381593 1076240773 /nfs/dbraw/zinc/24/07/73/1076240773.db2.gz KVTDQROZYBXJOC-LBPRGKRZSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC(=O)NC(=O)C1 ZINC001593381593 1076240768 /nfs/dbraw/zinc/24/07/68/1076240768.db2.gz KVTDQROZYBXJOC-LBPRGKRZSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC(=O)NC(=O)C1 ZINC001593382191 1076241201 /nfs/dbraw/zinc/24/12/01/1076241201.db2.gz VWIUGIZMUMUGFG-CYBMUJFWSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC(=O)NC(=O)C1 ZINC001593382191 1076241196 /nfs/dbraw/zinc/24/11/96/1076241196.db2.gz VWIUGIZMUMUGFG-CYBMUJFWSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC(=O)NC(=O)C1 ZINC001593382193 1076241245 /nfs/dbraw/zinc/24/12/45/1076241245.db2.gz VWIUGIZMUMUGFG-ZDUSSCGKSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC(=O)NC(=O)C1 ZINC001593382193 1076241239 /nfs/dbraw/zinc/24/12/39/1076241239.db2.gz VWIUGIZMUMUGFG-ZDUSSCGKSA-N 0 3 387.400 -1.514 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593389580 1076243451 /nfs/dbraw/zinc/24/34/51/1076243451.db2.gz AGZJOXHUBDEKFL-ORXSELOVSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593389580 1076243446 /nfs/dbraw/zinc/24/34/46/1076243446.db2.gz AGZJOXHUBDEKFL-ORXSELOVSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593389582 1076243307 /nfs/dbraw/zinc/24/33/07/1076243307.db2.gz AGZJOXHUBDEKFL-XHSYRHOGSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593389582 1076243302 /nfs/dbraw/zinc/24/33/02/1076243302.db2.gz AGZJOXHUBDEKFL-XHSYRHOGSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001593389964 1076243871 /nfs/dbraw/zinc/24/38/71/1076243871.db2.gz FPSLBSBAYJPMII-GHMZBOCLSA-N 0 3 388.388 -1.569 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001593389965 1076243788 /nfs/dbraw/zinc/24/37/88/1076243788.db2.gz FPSLBSBAYJPMII-MNOVXSKESA-N 0 3 388.388 -1.569 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001593389966 1076243882 /nfs/dbraw/zinc/24/38/82/1076243882.db2.gz FPSLBSBAYJPMII-QWRGUYRKSA-N 0 3 388.388 -1.569 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001593389967 1076243735 /nfs/dbraw/zinc/24/37/35/1076243735.db2.gz FPSLBSBAYJPMII-WDEREUQCSA-N 0 3 388.388 -1.569 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593390229 1076243724 /nfs/dbraw/zinc/24/37/24/1076243724.db2.gz HKMOOAHVTCIJPC-HNCHTBHHSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593390229 1076243719 /nfs/dbraw/zinc/24/37/19/1076243719.db2.gz HKMOOAHVTCIJPC-HNCHTBHHSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593390230 1076243775 /nfs/dbraw/zinc/24/37/75/1076243775.db2.gz HKMOOAHVTCIJPC-KQXIARHKSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593390230 1076243770 /nfs/dbraw/zinc/24/37/70/1076243770.db2.gz HKMOOAHVTCIJPC-KQXIARHKSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NCCOCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593391169 1076244243 /nfs/dbraw/zinc/24/42/43/1076244243.db2.gz RZOWKXZFBLEZGX-LLVKDONJSA-N 0 3 390.404 -1.274 20 0 GAADHN O=C(NCCOCCC[NH2+][C@H]1CCC(=O)NC1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593391170 1076244179 /nfs/dbraw/zinc/24/41/79/1076244179.db2.gz RZOWKXZFBLEZGX-NSHDSACASA-N 0 3 390.404 -1.274 20 0 GAADHN O=C(NCCOCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593391704 1076244129 /nfs/dbraw/zinc/24/41/29/1076244129.db2.gz VOSCPIJAWPZWPR-LLVKDONJSA-N 0 3 390.404 -1.274 20 0 GAADHN O=C(NCCOCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593391704 1076244126 /nfs/dbraw/zinc/24/41/26/1076244126.db2.gz VOSCPIJAWPZWPR-LLVKDONJSA-N 0 3 390.404 -1.274 20 0 GAADHN O=C(NCCOCCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593391705 1076244144 /nfs/dbraw/zinc/24/41/44/1076244144.db2.gz VOSCPIJAWPZWPR-NSHDSACASA-N 0 3 390.404 -1.274 20 0 GAADHN O=C(NCCOCCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593391705 1076244143 /nfs/dbraw/zinc/24/41/43/1076244143.db2.gz VOSCPIJAWPZWPR-NSHDSACASA-N 0 3 390.404 -1.274 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(CCO)CC[NH2+]CCN1CCCC1=O ZINC001593392482 1076244155 /nfs/dbraw/zinc/24/41/55/1076244155.db2.gz ZITYBNAEQGUGSK-UHFFFAOYSA-N 0 3 376.421 -1.159 20 0 GAADHN O=C(C[NH2+]CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCNC(=O)C1 ZINC001593397857 1076246137 /nfs/dbraw/zinc/24/61/37/1076246137.db2.gz CATAQWRBXXGGFG-UHFFFAOYSA-N 0 3 375.393 -2.137 20 0 GAADHN O=C(C[NH2+]CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCNC(=O)C1 ZINC001593397904 1076246104 /nfs/dbraw/zinc/24/61/04/1076246104.db2.gz FNOFZQMOVGVXSS-UHFFFAOYSA-N 0 3 375.393 -2.137 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399125 1076246346 /nfs/dbraw/zinc/24/63/46/1076246346.db2.gz CBSISVNQAVVGFX-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399125 1076246344 /nfs/dbraw/zinc/24/63/44/1076246344.db2.gz CBSISVNQAVVGFX-LLVKDONJSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399126 1076246370 /nfs/dbraw/zinc/24/63/70/1076246370.db2.gz CBSISVNQAVVGFX-NSHDSACASA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399126 1076246368 /nfs/dbraw/zinc/24/63/68/1076246368.db2.gz CBSISVNQAVVGFX-NSHDSACASA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399696 1076246911 /nfs/dbraw/zinc/24/69/11/1076246911.db2.gz OTHLQZRDVPMMLB-SNVBAGLBSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399696 1076246907 /nfs/dbraw/zinc/24/69/07/1076246907.db2.gz OTHLQZRDVPMMLB-SNVBAGLBSA-N 0 3 387.404 -1.059 20 0 GAADHN O=C(NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CC(=O)NC(=O)N1 ZINC001593401681 1076247492 /nfs/dbraw/zinc/24/74/92/1076247492.db2.gz XSOTVNRUAJURRB-NSHDSACASA-N 0 3 376.352 -1.190 20 0 GAADHN O=C([C@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001593402331 1076247559 /nfs/dbraw/zinc/24/75/59/1076247559.db2.gz CZQRWYSWDGIFGY-CYBMUJFWSA-N 0 3 375.389 -1.114 20 0 GAADHN O=C([C@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001593402331 1076247554 /nfs/dbraw/zinc/24/75/54/1076247554.db2.gz CZQRWYSWDGIFGY-CYBMUJFWSA-N 0 3 375.389 -1.114 20 0 GAADHN O=C([C@@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001593402332 1076247800 /nfs/dbraw/zinc/24/78/00/1076247800.db2.gz CZQRWYSWDGIFGY-ZDUSSCGKSA-N 0 3 375.389 -1.114 20 0 GAADHN O=C([C@@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001593402332 1076247799 /nfs/dbraw/zinc/24/77/99/1076247799.db2.gz CZQRWYSWDGIFGY-ZDUSSCGKSA-N 0 3 375.389 -1.114 20 0 GAADHN O=C([C@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593402460 1076247796 /nfs/dbraw/zinc/24/77/96/1076247796.db2.gz GJWUVPDHACMGJG-CYBMUJFWSA-N 0 3 375.389 -1.114 20 0 GAADHN O=C([C@@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593402461 1076247812 /nfs/dbraw/zinc/24/78/12/1076247812.db2.gz GJWUVPDHACMGJG-ZDUSSCGKSA-N 0 3 375.389 -1.114 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCNC1=O ZINC001593406312 1076251289 /nfs/dbraw/zinc/25/12/89/1076251289.db2.gz BGSJFIINGLQDRN-GHMZBOCLSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCNC1=O ZINC001593406314 1076251130 /nfs/dbraw/zinc/25/11/30/1076251130.db2.gz BGSJFIINGLQDRN-MNOVXSKESA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCNC1=O ZINC001593406316 1076251186 /nfs/dbraw/zinc/25/11/86/1076251186.db2.gz BGSJFIINGLQDRN-QWRGUYRKSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCNC1=O ZINC001593406318 1076251136 /nfs/dbraw/zinc/25/11/36/1076251136.db2.gz BGSJFIINGLQDRN-WDEREUQCSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCNC1=O ZINC001593408405 1076252575 /nfs/dbraw/zinc/25/25/75/1076252575.db2.gz KUPDNGKLLNZXNJ-GHMZBOCLSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCNC1=O ZINC001593408405 1076252570 /nfs/dbraw/zinc/25/25/70/1076252570.db2.gz KUPDNGKLLNZXNJ-GHMZBOCLSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCNC1=O ZINC001593408407 1076252642 /nfs/dbraw/zinc/25/26/42/1076252642.db2.gz KUPDNGKLLNZXNJ-MNOVXSKESA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCNC1=O ZINC001593408407 1076252635 /nfs/dbraw/zinc/25/26/35/1076252635.db2.gz KUPDNGKLLNZXNJ-MNOVXSKESA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCNC1=O ZINC001593408409 1076252687 /nfs/dbraw/zinc/25/26/87/1076252687.db2.gz KUPDNGKLLNZXNJ-QWRGUYRKSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCNC1=O ZINC001593408409 1076252682 /nfs/dbraw/zinc/25/26/82/1076252682.db2.gz KUPDNGKLLNZXNJ-QWRGUYRKSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCNC1=O ZINC001593408411 1076253036 /nfs/dbraw/zinc/25/30/36/1076253036.db2.gz KUPDNGKLLNZXNJ-WDEREUQCSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCNC1=O ZINC001593408411 1076253029 /nfs/dbraw/zinc/25/30/29/1076253029.db2.gz KUPDNGKLLNZXNJ-WDEREUQCSA-N 0 3 377.380 -1.291 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001593409863 1076254252 /nfs/dbraw/zinc/25/42/52/1076254252.db2.gz QNOCUTPBSWEDNF-GFCCVEGCSA-N 0 3 389.420 -1.349 20 0 GAADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001593409864 1076254155 /nfs/dbraw/zinc/25/41/55/1076254155.db2.gz QNOCUTPBSWEDNF-LBPRGKRZSA-N 0 3 389.420 -1.349 20 0 GAADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001593409902 1076254115 /nfs/dbraw/zinc/25/41/15/1076254115.db2.gz SASGCMHMCPKXLT-UHFFFAOYSA-N 0 3 377.409 -1.756 20 0 GAADHN O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001593409902 1076254110 /nfs/dbraw/zinc/25/41/10/1076254110.db2.gz SASGCMHMCPKXLT-UHFFFAOYSA-N 0 3 377.409 -1.756 20 0 GAADHN O=S(=O)(CC[NH2+]CCCn1cc(CO)nn1)c1ccc(-c2nn[n-]n2)cn1 ZINC001593420932 1076254549 /nfs/dbraw/zinc/25/45/49/1076254549.db2.gz BFVXCCCGPHJIJG-UHFFFAOYSA-N 0 3 393.433 -1.201 20 0 GAADHN O=S(=O)(CC[NH2+]CCCn1cc(CO)nn1)c1ccc(-c2nnn[n-]2)cn1 ZINC001593420932 1076254548 /nfs/dbraw/zinc/25/45/48/1076254548.db2.gz BFVXCCCGPHJIJG-UHFFFAOYSA-N 0 3 393.433 -1.201 20 0 GAADHN CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598225821 990919233 /nfs/dbraw/zinc/91/92/33/990919233.db2.gz YOVKBYJGZKZRGF-KRWDZBQOSA-N 0 3 383.449 -1.230 20 0 GAADHN CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598225822 990918969 /nfs/dbraw/zinc/91/89/69/990918969.db2.gz YOVKBYJGZKZRGF-QGZVFWFLSA-N 0 3 383.449 -1.230 20 0 GAADHN Cn1c(=O)ccn(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1=O ZINC001598292071 1076262207 /nfs/dbraw/zinc/26/22/07/1076262207.db2.gz IQHGVTXHVKCAMN-UHFFFAOYSA-N 0 3 377.445 -1.121 20 0 GAADHN CC(=O)NCC(=O)NCCN1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001602942416 1076275537 /nfs/dbraw/zinc/27/55/37/1076275537.db2.gz LFESOFQFVDTLRM-UHFFFAOYSA-N 0 3 387.448 -1.056 20 0 GAADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001603932880 1076293299 /nfs/dbraw/zinc/29/32/99/1076293299.db2.gz YEHIEHLNXXAEFL-BXKDBHETSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001603932880 1076293298 /nfs/dbraw/zinc/29/32/98/1076293298.db2.gz YEHIEHLNXXAEFL-BXKDBHETSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001603932888 1076293344 /nfs/dbraw/zinc/29/33/44/1076293344.db2.gz YEHIEHLNXXAEFL-CABZTGNLSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001603932888 1076293342 /nfs/dbraw/zinc/29/33/42/1076293342.db2.gz YEHIEHLNXXAEFL-CABZTGNLSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001603932891 1076293313 /nfs/dbraw/zinc/29/33/13/1076293313.db2.gz YEHIEHLNXXAEFL-JOYOIKCWSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001603932891 1076293312 /nfs/dbraw/zinc/29/33/12/1076293312.db2.gz YEHIEHLNXXAEFL-JOYOIKCWSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001603932896 1076293325 /nfs/dbraw/zinc/29/33/25/1076293325.db2.gz YEHIEHLNXXAEFL-SKDRFNHKSA-N 0 3 387.404 -1.203 20 0 GAADHN C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001603932896 1076293323 /nfs/dbraw/zinc/29/33/23/1076293323.db2.gz YEHIEHLNXXAEFL-SKDRFNHKSA-N 0 3 387.404 -1.203 20 0 GAADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001604649316 1076307043 /nfs/dbraw/zinc/30/70/43/1076307043.db2.gz MEPMBPDGSAAGIG-UHFFFAOYSA-N 0 3 387.404 -1.061 20 0 GAADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001604649316 1076307032 /nfs/dbraw/zinc/30/70/32/1076307032.db2.gz MEPMBPDGSAAGIG-UHFFFAOYSA-N 0 3 387.404 -1.061 20 0 GAADHN C[NH+](C)CCN1CCN(c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)CC1=O ZINC001604688094 1076308386 /nfs/dbraw/zinc/30/83/86/1076308386.db2.gz OWBOIVODXRDWTE-UHFFFAOYSA-N 0 3 394.461 -1.276 20 0 GAADHN C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001604847846 1076321154 /nfs/dbraw/zinc/32/11/54/1076321154.db2.gz MHXJKPIUSOUMDW-ZIAGYGMSSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CC1 ZINC001604848337 1076321287 /nfs/dbraw/zinc/32/12/87/1076321287.db2.gz QTPTWPLOTOENRJ-KGLIPLIRSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CC1 ZINC001604848337 1076321282 /nfs/dbraw/zinc/32/12/82/1076321282.db2.gz QTPTWPLOTOENRJ-KGLIPLIRSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)CC1 ZINC001604849035 1076321693 /nfs/dbraw/zinc/32/16/93/1076321693.db2.gz NVNVOGMNIVMJRG-KGLIPLIRSA-N 0 3 388.432 -1.162 20 0 GAADHN C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)CC1 ZINC001604849035 1076321686 /nfs/dbraw/zinc/32/16/86/1076321686.db2.gz NVNVOGMNIVMJRG-KGLIPLIRSA-N 0 3 388.432 -1.162 20 0 GAADHN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001604849088 1076321842 /nfs/dbraw/zinc/32/18/42/1076321842.db2.gz PMQQCWHNQPFYEQ-CYBMUJFWSA-N 0 3 386.464 -1.153 20 0 GAADHN C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001604849088 1076321839 /nfs/dbraw/zinc/32/18/39/1076321839.db2.gz PMQQCWHNQPFYEQ-CYBMUJFWSA-N 0 3 386.464 -1.153 20 0 GAADHN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001604849091 1076321929 /nfs/dbraw/zinc/32/19/29/1076321929.db2.gz PMQQCWHNQPFYEQ-ZDUSSCGKSA-N 0 3 386.464 -1.153 20 0 GAADHN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001604849091 1076321923 /nfs/dbraw/zinc/32/19/23/1076321923.db2.gz PMQQCWHNQPFYEQ-ZDUSSCGKSA-N 0 3 386.464 -1.153 20 0 GAADHN C[N@H+]1CCCN(CCCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001604861675 1076322588 /nfs/dbraw/zinc/32/25/88/1076322588.db2.gz NYVHERBZWKDAEC-UHFFFAOYSA-N 0 3 391.436 -1.727 20 0 GAADHN C[N@@H+]1CCCN(CCCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001604861675 1076322581 /nfs/dbraw/zinc/32/25/81/1076322581.db2.gz NYVHERBZWKDAEC-UHFFFAOYSA-N 0 3 391.436 -1.727 20 0 GAADHN CN1CCN(C(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)[C@H](C[NH3+])C1 ZINC001604862330 1076322653 /nfs/dbraw/zinc/32/26/53/1076322653.db2.gz DOYVPEOAQWPDEW-LLVKDONJSA-N 0 3 388.436 -2.109 20 0 GAADHN CN1CCN(C(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)[C@H](C[NH3+])C1 ZINC001604862330 1076322647 /nfs/dbraw/zinc/32/26/47/1076322647.db2.gz DOYVPEOAQWPDEW-LLVKDONJSA-N 0 3 388.436 -2.109 20 0 GAADHN CN1CCN(C(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)[C@@H](C[NH3+])C1 ZINC001604862331 1076322612 /nfs/dbraw/zinc/32/26/12/1076322612.db2.gz DOYVPEOAQWPDEW-NSHDSACASA-N 0 3 388.436 -2.109 20 0 GAADHN CN1CCN(C(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)[C@@H](C[NH3+])C1 ZINC001604862331 1076322610 /nfs/dbraw/zinc/32/26/10/1076322610.db2.gz DOYVPEOAQWPDEW-NSHDSACASA-N 0 3 388.436 -2.109 20 0 GAADHN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001604869576 1076323418 /nfs/dbraw/zinc/32/34/18/1076323418.db2.gz HQGZSPQCEMAQFP-DOMZBBRYSA-N 0 3 390.448 -1.152 20 0 GAADHN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001604869581 1076323537 /nfs/dbraw/zinc/32/35/37/1076323537.db2.gz HQGZSPQCEMAQFP-IUODEOHRSA-N 0 3 390.448 -1.152 20 0 GAADHN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001604869583 1076323451 /nfs/dbraw/zinc/32/34/51/1076323451.db2.gz HQGZSPQCEMAQFP-SWLSCSKDSA-N 0 3 390.448 -1.152 20 0 GAADHN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001604869586 1076323315 /nfs/dbraw/zinc/32/33/15/1076323315.db2.gz HQGZSPQCEMAQFP-WFASDCNBSA-N 0 3 390.448 -1.152 20 0 GAADHN CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001604883511 1076326346 /nfs/dbraw/zinc/32/63/46/1076326346.db2.gz RWQNNSFCSKQEPI-WAAGHKOSSA-N 0 3 375.393 -1.252 20 0 GAADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001604892876 1076327033 /nfs/dbraw/zinc/32/70/33/1076327033.db2.gz VLRPJUOCKCBZHW-GFCCVEGCSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001604892876 1076327028 /nfs/dbraw/zinc/32/70/28/1076327028.db2.gz VLRPJUOCKCBZHW-GFCCVEGCSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001604892877 1076327051 /nfs/dbraw/zinc/32/70/51/1076327051.db2.gz VLRPJUOCKCBZHW-LBPRGKRZSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001604892877 1076327044 /nfs/dbraw/zinc/32/70/44/1076327044.db2.gz VLRPJUOCKCBZHW-LBPRGKRZSA-N 0 3 387.448 -1.118 20 0 GAADHN C[NH2+]CCOCCNC(=O)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001604894237 1076328947 /nfs/dbraw/zinc/32/89/47/1076328947.db2.gz HTYBMYIPOCRCST-UHFFFAOYSA-N 0 3 377.405 -1.156 20 0 GAADHN C[NH2+]CCOCCNC(=O)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001604894237 1076328942 /nfs/dbraw/zinc/32/89/42/1076328942.db2.gz HTYBMYIPOCRCST-UHFFFAOYSA-N 0 3 377.405 -1.156 20 0 GAADHN COc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c(F)cc1-c1nn[n-]n1 ZINC001605225964 1076340502 /nfs/dbraw/zinc/34/05/02/1076340502.db2.gz BWBJKODWPYUWQZ-MRVPVSSYSA-N 0 3 381.368 -1.008 20 0 GAADHN COc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c(F)cc1-c1nnn[n-]1 ZINC001605225964 1076340496 /nfs/dbraw/zinc/34/04/96/1076340496.db2.gz BWBJKODWPYUWQZ-MRVPVSSYSA-N 0 3 381.368 -1.008 20 0 GAADHN COc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c(F)cc1-c1nn[n-]n1 ZINC001605225965 1076340596 /nfs/dbraw/zinc/34/05/96/1076340596.db2.gz BWBJKODWPYUWQZ-QMMMGPOBSA-N 0 3 381.368 -1.008 20 0 GAADHN COc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c(F)cc1-c1nnn[n-]1 ZINC001605225965 1076340589 /nfs/dbraw/zinc/34/05/89/1076340589.db2.gz BWBJKODWPYUWQZ-QMMMGPOBSA-N 0 3 381.368 -1.008 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001605359282 1076343340 /nfs/dbraw/zinc/34/33/40/1076343340.db2.gz MLXPEPHVBUWMRP-HOMQSWHASA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001605359282 1076343336 /nfs/dbraw/zinc/34/33/36/1076343336.db2.gz MLXPEPHVBUWMRP-HOMQSWHASA-N 0 3 382.450 -1.158 20 0 GAADHN CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001605359368 1076343308 /nfs/dbraw/zinc/34/33/08/1076343308.db2.gz UGINDLOYZBKPCZ-JGZJWPJOSA-N 0 3 382.450 -1.158 20 0 GAADHN C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001605397691 1076344097 /nfs/dbraw/zinc/34/40/97/1076344097.db2.gz RBRLLYNVMJFWRJ-GWCFXTLKSA-N 0 3 386.416 -1.058 20 0 GAADHN C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001605397692 1076344065 /nfs/dbraw/zinc/34/40/65/1076344065.db2.gz RBRLLYNVMJFWRJ-GXFFZTMASA-N 0 3 386.416 -1.058 20 0 GAADHN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](CO)C2)[nH+]1 ZINC001605692145 1076349900 /nfs/dbraw/zinc/34/99/00/1076349900.db2.gz QIRXJJVQGKOMJQ-AUZPSNTRSA-N 0 3 391.432 -1.851 20 0 GAADHN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](CO)C2)[nH+]1 ZINC001605692145 1076349894 /nfs/dbraw/zinc/34/98/94/1076349894.db2.gz QIRXJJVQGKOMJQ-AUZPSNTRSA-N 0 3 391.432 -1.851 20 0 GAADHN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c(-c2nn[n-]n2)c(N2C[C@H](O)[C@H](CO)C2)[nH+]1 ZINC001605692146 1076350007 /nfs/dbraw/zinc/35/00/07/1076350007.db2.gz QIRXJJVQGKOMJQ-IMIFBBOLSA-N 0 3 391.432 -1.851 20 0 GAADHN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c(-c2nnn[n-]2)c(N2C[C@H](O)[C@H](CO)C2)[nH+]1 ZINC001605692146 1076350003 /nfs/dbraw/zinc/35/00/03/1076350003.db2.gz QIRXJJVQGKOMJQ-IMIFBBOLSA-N 0 3 391.432 -1.851 20 0 GAADHN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c(-c2nn[n-]n2)c(N2C[C@H](CO)[C@H](O)C2)[nH+]1 ZINC001605692147 1076349924 /nfs/dbraw/zinc/34/99/24/1076349924.db2.gz QIRXJJVQGKOMJQ-UZGDPCLZSA-N 0 3 391.432 -1.851 20 0 GAADHN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c(-c2nnn[n-]2)c(N2C[C@H](CO)[C@H](O)C2)[nH+]1 ZINC001605692147 1076349915 /nfs/dbraw/zinc/34/99/15/1076349915.db2.gz QIRXJJVQGKOMJQ-UZGDPCLZSA-N 0 3 391.432 -1.851 20 0 GAADHN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c(-c2nn[n-]n2)c(N2C[C@H](O)[C@@H](CO)C2)[nH+]1 ZINC001605692148 1076350071 /nfs/dbraw/zinc/35/00/71/1076350071.db2.gz QIRXJJVQGKOMJQ-XCCSTKFXSA-N 0 3 391.432 -1.851 20 0 GAADHN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c(-c2nnn[n-]2)c(N2C[C@H](O)[C@@H](CO)C2)[nH+]1 ZINC001605692148 1076350065 /nfs/dbraw/zinc/35/00/65/1076350065.db2.gz QIRXJJVQGKOMJQ-XCCSTKFXSA-N 0 3 391.432 -1.851 20 0 GAADHN Cc1cc(NC[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605730677 1076351580 /nfs/dbraw/zinc/35/15/80/1076351580.db2.gz HQIYDPOXLKWPBH-LLVKDONJSA-N 0 3 384.404 -1.008 20 0 GAADHN Cc1cc(NC[C@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605730678 1076351505 /nfs/dbraw/zinc/35/15/05/1076351505.db2.gz HQIYDPOXLKWPBH-NSHDSACASA-N 0 3 384.404 -1.008 20 0 GAADHN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1-c1nn[n-]n1 ZINC001606109439 1076356167 /nfs/dbraw/zinc/35/61/67/1076356167.db2.gz HDCQXBMBQZCUKK-NSHDSACASA-N 0 3 388.436 -1.965 20 0 GAADHN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1-c1nnn[n-]1 ZINC001606109439 1076356163 /nfs/dbraw/zinc/35/61/63/1076356163.db2.gz HDCQXBMBQZCUKK-NSHDSACASA-N 0 3 388.436 -1.965 20 0 GAADHN NC(=O)C(=O)NCCCCC[NH+]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001606399778 1076367984 /nfs/dbraw/zinc/36/79/84/1076367984.db2.gz FVLWPIRDYZOCHL-UHFFFAOYSA-N 0 3 388.436 -1.450 20 0 GAADHN NC(=O)C1(C(=O)NCCN2CCN(c3ccncc3-c3nn[nH]n3)CC2)CC1 ZINC001606404495 1076368271 /nfs/dbraw/zinc/36/82/71/1076368271.db2.gz NMFRGZVVWCXQNG-UHFFFAOYSA-N 0 3 385.432 -1.235 20 0 GAADHN [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001606435861 1076371448 /nfs/dbraw/zinc/37/14/48/1076371448.db2.gz BIYGHUDBWZGYEL-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001606435861 1076371444 /nfs/dbraw/zinc/37/14/44/1076371444.db2.gz BIYGHUDBWZGYEL-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001606435862 1076371333 /nfs/dbraw/zinc/37/13/33/1076371333.db2.gz BIYGHUDBWZGYEL-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001606435862 1076371329 /nfs/dbraw/zinc/37/13/29/1076371329.db2.gz BIYGHUDBWZGYEL-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001606436454 1076371346 /nfs/dbraw/zinc/37/13/46/1076371346.db2.gz CNMUWDFARXRARS-UHFFFAOYSA-N 0 3 397.443 -1.140 20 0 GAADHN [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001606436454 1076371343 /nfs/dbraw/zinc/37/13/43/1076371343.db2.gz CNMUWDFARXRARS-UHFFFAOYSA-N 0 3 397.443 -1.140 20 0 GAADHN [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)CCO1 ZINC001606437699 1076371321 /nfs/dbraw/zinc/37/13/21/1076371321.db2.gz NKQCGMQSSLZKIV-CYBMUJFWSA-N 0 3 387.400 -1.358 20 0 GAADHN [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)CCO1 ZINC001606437700 1076371455 /nfs/dbraw/zinc/37/14/55/1076371455.db2.gz NKQCGMQSSLZKIV-ZDUSSCGKSA-N 0 3 387.400 -1.358 20 0 GAADHN [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001606438465 1076371277 /nfs/dbraw/zinc/37/12/77/1076371277.db2.gz UYWUECMUALSJFP-CYBMUJFWSA-N 0 3 386.416 -1.057 20 0 GAADHN [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001606438465 1076371275 /nfs/dbraw/zinc/37/12/75/1076371275.db2.gz UYWUECMUALSJFP-CYBMUJFWSA-N 0 3 386.416 -1.057 20 0 GAADHN [NH3+]CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001606438466 1076371373 /nfs/dbraw/zinc/37/13/73/1076371373.db2.gz UYWUECMUALSJFP-ZDUSSCGKSA-N 0 3 386.416 -1.057 20 0 GAADHN [NH3+]CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001606438466 1076371369 /nfs/dbraw/zinc/37/13/69/1076371369.db2.gz UYWUECMUALSJFP-ZDUSSCGKSA-N 0 3 386.416 -1.057 20 0 GAADHN [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001606441255 1076371856 /nfs/dbraw/zinc/37/18/56/1076371856.db2.gz YBHNDZVSMHNCEE-JTQLQIEISA-N 0 3 380.434 -1.263 20 0 GAADHN [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001606441255 1076371853 /nfs/dbraw/zinc/37/18/53/1076371853.db2.gz YBHNDZVSMHNCEE-JTQLQIEISA-N 0 3 380.434 -1.263 20 0 GAADHN [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001606441274 1076371788 /nfs/dbraw/zinc/37/17/88/1076371788.db2.gz YBHNDZVSMHNCEE-SNVBAGLBSA-N 0 3 380.434 -1.263 20 0 GAADHN [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001606441274 1076371785 /nfs/dbraw/zinc/37/17/85/1076371785.db2.gz YBHNDZVSMHNCEE-SNVBAGLBSA-N 0 3 380.434 -1.263 20 0 GAADHN O=C(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001606460149 1076372461 /nfs/dbraw/zinc/37/24/61/1076372461.db2.gz KYCQZWJHZNFLHR-BETUJISGSA-N 0 3 397.443 -1.412 20 0 GAADHN O=C(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001606460149 1076372458 /nfs/dbraw/zinc/37/24/58/1076372458.db2.gz KYCQZWJHZNFLHR-BETUJISGSA-N 0 3 397.443 -1.412 20 0 GAADHN O=C(CCN1CCOCC1)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O ZINC001606524487 1076375196 /nfs/dbraw/zinc/37/51/96/1076375196.db2.gz IIOJFBDCFGLGAY-UKRRQHHQSA-N 0 3 388.432 -1.350 20 0 GAADHN O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001606554257 1076378965 /nfs/dbraw/zinc/37/89/65/1076378965.db2.gz CRVCFKPVHQXHFX-TXEJJXNPSA-N 0 3 377.430 -1.177 20 0 GAADHN O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001606554257 1076378961 /nfs/dbraw/zinc/37/89/61/1076378961.db2.gz CRVCFKPVHQXHFX-TXEJJXNPSA-N 0 3 377.430 -1.177 20 0 GAADHN O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001606625175 1076382798 /nfs/dbraw/zinc/38/27/98/1076382798.db2.gz FEUHPFSSYIHAQW-AWEZNQCLSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001606625175 1076382795 /nfs/dbraw/zinc/38/27/95/1076382795.db2.gz FEUHPFSSYIHAQW-AWEZNQCLSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001606625176 1076382984 /nfs/dbraw/zinc/38/29/84/1076382984.db2.gz FEUHPFSSYIHAQW-CQSZACIVSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001606625176 1076382981 /nfs/dbraw/zinc/38/29/81/1076382981.db2.gz FEUHPFSSYIHAQW-CQSZACIVSA-N 0 3 384.404 -1.130 20 0 GAADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001606662323 1076384884 /nfs/dbraw/zinc/38/48/84/1076384884.db2.gz FPVJCSMRHAILCX-GXTWGEPZSA-N 0 3 398.427 -1.044 20 0 GAADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001606662323 1076384882 /nfs/dbraw/zinc/38/48/82/1076384882.db2.gz FPVJCSMRHAILCX-GXTWGEPZSA-N 0 3 398.427 -1.044 20 0 GAADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001606662476 1076384806 /nfs/dbraw/zinc/38/48/06/1076384806.db2.gz FPVJCSMRHAILCX-JSGCOSHPSA-N 0 3 398.427 -1.044 20 0 GAADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001606662476 1076384803 /nfs/dbraw/zinc/38/48/03/1076384803.db2.gz FPVJCSMRHAILCX-JSGCOSHPSA-N 0 3 398.427 -1.044 20 0 GAADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001606678022 1076385273 /nfs/dbraw/zinc/38/52/73/1076385273.db2.gz JLCPPWZJZGSBBB-ZDUSSCGKSA-N 0 3 385.432 -1.175 20 0 GAADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001606678022 1076385272 /nfs/dbraw/zinc/38/52/72/1076385272.db2.gz JLCPPWZJZGSBBB-ZDUSSCGKSA-N 0 3 385.432 -1.175 20 0 GAADHN O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001606695728 1076386399 /nfs/dbraw/zinc/38/63/99/1076386399.db2.gz JJYXUKCMYFALQS-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001606695728 1076386398 /nfs/dbraw/zinc/38/63/98/1076386398.db2.gz JJYXUKCMYFALQS-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001606695729 1076386356 /nfs/dbraw/zinc/38/63/56/1076386356.db2.gz JJYXUKCMYFALQS-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001606695729 1076386352 /nfs/dbraw/zinc/38/63/52/1076386352.db2.gz JJYXUKCMYFALQS-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001606719164 1076387896 /nfs/dbraw/zinc/38/78/96/1076387896.db2.gz GOGQCDMBIWOAGQ-UHFFFAOYSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001606719164 1076387893 /nfs/dbraw/zinc/38/78/93/1076387893.db2.gz GOGQCDMBIWOAGQ-UHFFFAOYSA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001606731606 1076388300 /nfs/dbraw/zinc/38/83/00/1076388300.db2.gz NDIFNRUCXFRWGE-GFCCVEGCSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001606731606 1076388299 /nfs/dbraw/zinc/38/82/99/1076388299.db2.gz NDIFNRUCXFRWGE-GFCCVEGCSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001606731607 1076388720 /nfs/dbraw/zinc/38/87/20/1076388720.db2.gz NDIFNRUCXFRWGE-LBPRGKRZSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001606731607 1076388715 /nfs/dbraw/zinc/38/87/15/1076388715.db2.gz NDIFNRUCXFRWGE-LBPRGKRZSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001606731933 1076388578 /nfs/dbraw/zinc/38/85/78/1076388578.db2.gz VQKSOAAIPKJNMZ-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001606731933 1076388574 /nfs/dbraw/zinc/38/85/74/1076388574.db2.gz VQKSOAAIPKJNMZ-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001606731934 1076388747 /nfs/dbraw/zinc/38/87/47/1076388747.db2.gz VQKSOAAIPKJNMZ-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001606731934 1076388746 /nfs/dbraw/zinc/38/87/46/1076388746.db2.gz VQKSOAAIPKJNMZ-ZDUSSCGKSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NCC1C[NH2+]C1)C(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001606750040 1076389476 /nfs/dbraw/zinc/38/94/76/1076389476.db2.gz UUJYHAZTGIARFR-UHFFFAOYSA-N 0 3 388.407 -1.010 20 0 GAADHN O=C(NCC1C[NH2+]C1)C(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001606750040 1076389473 /nfs/dbraw/zinc/38/94/73/1076389473.db2.gz UUJYHAZTGIARFR-UHFFFAOYSA-N 0 3 388.407 -1.010 20 0 GAADHN O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001606779043 1076390676 /nfs/dbraw/zinc/39/06/76/1076390676.db2.gz WWYKASPRPOHDBV-HNNXBMFYSA-N 0 3 384.444 -1.529 20 0 GAADHN O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001606779043 1076390670 /nfs/dbraw/zinc/39/06/70/1076390670.db2.gz WWYKASPRPOHDBV-HNNXBMFYSA-N 0 3 384.444 -1.529 20 0 GAADHN O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001606779044 1076390712 /nfs/dbraw/zinc/39/07/12/1076390712.db2.gz WWYKASPRPOHDBV-OAHLLOKOSA-N 0 3 384.444 -1.529 20 0 GAADHN O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001606779044 1076390706 /nfs/dbraw/zinc/39/07/06/1076390706.db2.gz WWYKASPRPOHDBV-OAHLLOKOSA-N 0 3 384.444 -1.529 20 0 GAADHN O=C(NCC[NH2+]C1CC1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001606779057 1076390749 /nfs/dbraw/zinc/39/07/49/1076390749.db2.gz XNCXOAWOMODZCL-UHFFFAOYSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NCC[NH2+]C1CC1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001606779057 1076390741 /nfs/dbraw/zinc/39/07/41/1076390741.db2.gz XNCXOAWOMODZCL-UHFFFAOYSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001606812034 1076391665 /nfs/dbraw/zinc/39/16/65/1076391665.db2.gz GOGQCDMBIWOAGQ-HOMQSWHASA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001606812034 1076391657 /nfs/dbraw/zinc/39/16/57/1076391657.db2.gz GOGQCDMBIWOAGQ-HOMQSWHASA-N 0 3 387.404 -1.155 20 0 GAADHN O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001606868730 1076391600 /nfs/dbraw/zinc/39/16/00/1076391600.db2.gz ZJCUODNIBRFRPI-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001606868730 1076391599 /nfs/dbraw/zinc/39/15/99/1076391599.db2.gz ZJCUODNIBRFRPI-CYBMUJFWSA-N 0 3 385.432 -1.222 20 0 GAADHN O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001606875329 1076393355 /nfs/dbraw/zinc/39/33/55/1076393355.db2.gz WIYMFCFFMJAMEL-OLZOCXBDSA-N 0 3 385.432 -1.049 20 0 GAADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606881332 1076394466 /nfs/dbraw/zinc/39/44/66/1076394466.db2.gz AJOCEVIEVNCGNQ-HNNXBMFYSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001606881332 1076394465 /nfs/dbraw/zinc/39/44/65/1076394465.db2.gz AJOCEVIEVNCGNQ-HNNXBMFYSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001606954163 1076395162 /nfs/dbraw/zinc/39/51/62/1076395162.db2.gz IPJRPQMUVYENNW-GFCCVEGCSA-N 0 3 382.388 -1.077 20 0 GAADHN O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001606954163 1076395160 /nfs/dbraw/zinc/39/51/60/1076395160.db2.gz IPJRPQMUVYENNW-GFCCVEGCSA-N 0 3 382.388 -1.077 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001607043495 1076397918 /nfs/dbraw/zinc/39/79/18/1076397918.db2.gz HZZDCGUIJVEEJD-HNCHTBHHSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001607043495 1076397916 /nfs/dbraw/zinc/39/79/16/1076397916.db2.gz HZZDCGUIJVEEJD-HNCHTBHHSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001607043495 1076397914 /nfs/dbraw/zinc/39/79/14/1076397914.db2.gz HZZDCGUIJVEEJD-HNCHTBHHSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001607043495 1076397912 /nfs/dbraw/zinc/39/79/12/1076397912.db2.gz HZZDCGUIJVEEJD-HNCHTBHHSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001607043497 1076397884 /nfs/dbraw/zinc/39/78/84/1076397884.db2.gz HZZDCGUIJVEEJD-KQXIARHKSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001607043497 1076397880 /nfs/dbraw/zinc/39/78/80/1076397880.db2.gz HZZDCGUIJVEEJD-KQXIARHKSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001607043497 1076397878 /nfs/dbraw/zinc/39/78/78/1076397878.db2.gz HZZDCGUIJVEEJD-KQXIARHKSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001607043497 1076397874 /nfs/dbraw/zinc/39/78/74/1076397874.db2.gz HZZDCGUIJVEEJD-KQXIARHKSA-N 0 3 384.400 -1.092 20 0 GAADHN O=C(CN1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001607046941 1076398921 /nfs/dbraw/zinc/39/89/21/1076398921.db2.gz OLQZNCGZUOYXPA-HNNXBMFYSA-N 0 3 384.444 -1.011 20 0 GAADHN O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001607046944 1076398891 /nfs/dbraw/zinc/39/88/91/1076398891.db2.gz OLQZNCGZUOYXPA-OAHLLOKOSA-N 0 3 384.444 -1.011 20 0 GAADHN O[C@H](C[NH2+]C[C@H](O)COc1ccccc1-c1nn[n-]n1)CN1CCOCC1 ZINC001607095882 1076403396 /nfs/dbraw/zinc/40/33/96/1076403396.db2.gz YWIWIZHZXTTZIJ-KGLIPLIRSA-N 0 3 378.433 -1.111 20 0 GAADHN O[C@H](C[NH2+]C[C@H](O)COc1ccccc1-c1nnn[n-]1)CN1CCOCC1 ZINC001607095882 1076403391 /nfs/dbraw/zinc/40/33/91/1076403391.db2.gz YWIWIZHZXTTZIJ-KGLIPLIRSA-N 0 3 378.433 -1.111 20 0 GAADHN O[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)COc1ccccc1-c1nn[n-]n1 ZINC001607095887 1076403520 /nfs/dbraw/zinc/40/35/20/1076403520.db2.gz YWIWIZHZXTTZIJ-ZIAGYGMSSA-N 0 3 378.433 -1.111 20 0 GAADHN O[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)COc1ccccc1-c1nnn[n-]1 ZINC001607095887 1076403517 /nfs/dbraw/zinc/40/35/17/1076403517.db2.gz YWIWIZHZXTTZIJ-ZIAGYGMSSA-N 0 3 378.433 -1.111 20 0 GAADHN OC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001607102416 1076403468 /nfs/dbraw/zinc/40/34/68/1076403468.db2.gz BMEDORHCFVFHAD-CABCVRRESA-N 0 3 378.433 -1.111 20 0 GAADHN OC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001607102418 1076403460 /nfs/dbraw/zinc/40/34/60/1076403460.db2.gz BMEDORHCFVFHAD-GJZGRUSLSA-N 0 3 378.433 -1.111 20 0 GAADHN OC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001607102420 1076403489 /nfs/dbraw/zinc/40/34/89/1076403489.db2.gz BMEDORHCFVFHAD-HUUCEWRRSA-N 0 3 378.433 -1.111 20 0 GAADHN OC[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001607102422 1076403446 /nfs/dbraw/zinc/40/34/46/1076403446.db2.gz BMEDORHCFVFHAD-LSDHHAIUSA-N 0 3 378.433 -1.111 20 0 GAADHN C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609117839 1076412933 /nfs/dbraw/zinc/41/29/33/1076412933.db2.gz ZQJGZPKFADWDGT-GWCFXTLKSA-N 0 3 386.416 -1.058 20 0 GAADHN C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609117840 1076413003 /nfs/dbraw/zinc/41/30/03/1076413003.db2.gz ZQJGZPKFADWDGT-GXFFZTMASA-N 0 3 386.416 -1.058 20 0 GAADHN C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609117841 1076413016 /nfs/dbraw/zinc/41/30/16/1076413016.db2.gz ZQJGZPKFADWDGT-MFKMUULPSA-N 0 3 386.416 -1.058 20 0 GAADHN C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609117842 1076412950 /nfs/dbraw/zinc/41/29/50/1076412950.db2.gz ZQJGZPKFADWDGT-ZWNOBZJWSA-N 0 3 386.416 -1.058 20 0 GAADHN C[C@H]([NH3+])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001609117848 1076413035 /nfs/dbraw/zinc/41/30/35/1076413035.db2.gz ZUFCJNBKOGDOSY-GWCFXTLKSA-N 0 3 395.445 -1.280 20 0 GAADHN C[C@H]([NH3+])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001609117848 1076413032 /nfs/dbraw/zinc/41/30/32/1076413032.db2.gz ZUFCJNBKOGDOSY-GWCFXTLKSA-N 0 3 395.445 -1.280 20 0 GAADHN C[C@H]([NH3+])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001609117849 1076412985 /nfs/dbraw/zinc/41/29/85/1076412985.db2.gz ZUFCJNBKOGDOSY-GXFFZTMASA-N 0 3 395.445 -1.280 20 0 GAADHN C[C@H]([NH3+])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001609117849 1076412984 /nfs/dbraw/zinc/41/29/84/1076412984.db2.gz ZUFCJNBKOGDOSY-GXFFZTMASA-N 0 3 395.445 -1.280 20 0 GAADHN C[C@@H]([NH3+])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001609117850 1076412956 /nfs/dbraw/zinc/41/29/56/1076412956.db2.gz ZUFCJNBKOGDOSY-MFKMUULPSA-N 0 3 395.445 -1.280 20 0 GAADHN C[C@@H]([NH3+])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001609117850 1076412955 /nfs/dbraw/zinc/41/29/55/1076412955.db2.gz ZUFCJNBKOGDOSY-MFKMUULPSA-N 0 3 395.445 -1.280 20 0 GAADHN C[C@@H]([NH3+])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001609117851 1076412995 /nfs/dbraw/zinc/41/29/95/1076412995.db2.gz ZUFCJNBKOGDOSY-ZWNOBZJWSA-N 0 3 395.445 -1.280 20 0 GAADHN C[C@@H]([NH3+])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001609117851 1076412992 /nfs/dbraw/zinc/41/29/92/1076412992.db2.gz ZUFCJNBKOGDOSY-ZWNOBZJWSA-N 0 3 395.445 -1.280 20 0 GAADHN C[NH+](C)C[C@@](C)(O)CNC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609266655 1076415727 /nfs/dbraw/zinc/41/57/27/1076415727.db2.gz XUHPMIVWXZVHHO-HNNXBMFYSA-N 0 3 397.461 -1.426 20 0 GAADHN C[NH+](C)C[C@@](C)(O)CNC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609266655 1076415724 /nfs/dbraw/zinc/41/57/24/1076415724.db2.gz XUHPMIVWXZVHHO-HNNXBMFYSA-N 0 3 397.461 -1.426 20 0 GAADHN C[NH+](C)C[C@](C)(O)CNC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609266656 1076415682 /nfs/dbraw/zinc/41/56/82/1076415682.db2.gz XUHPMIVWXZVHHO-OAHLLOKOSA-N 0 3 397.461 -1.426 20 0 GAADHN C[NH+](C)C[C@](C)(O)CNC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609266656 1076415679 /nfs/dbraw/zinc/41/56/79/1076415679.db2.gz XUHPMIVWXZVHHO-OAHLLOKOSA-N 0 3 397.461 -1.426 20 0 GAADHN CN(CCCN(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1)CC[NH+](C)C ZINC001609267944 1076415767 /nfs/dbraw/zinc/41/57/67/1076415767.db2.gz ZLNHCSQZBPGMBJ-UHFFFAOYSA-N 0 3 379.473 -1.017 20 0 GAADHN C[NH+](C)CCOCCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609268562 1076415746 /nfs/dbraw/zinc/41/57/46/1076415746.db2.gz SSYZCDRYSBFZIF-UHFFFAOYSA-N 0 3 397.461 -1.161 20 0 GAADHN C[NH+](C)CCOCCNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609268562 1076415743 /nfs/dbraw/zinc/41/57/43/1076415743.db2.gz SSYZCDRYSBFZIF-UHFFFAOYSA-N 0 3 397.461 -1.161 20 0 GAADHN C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001609289475 1076417473 /nfs/dbraw/zinc/41/74/73/1076417473.db2.gz HJQNQERTHZFPOI-UHFFFAOYSA-N 0 3 387.448 -1.022 20 0 GAADHN C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001609289475 1076417471 /nfs/dbraw/zinc/41/74/71/1076417471.db2.gz HJQNQERTHZFPOI-UHFFFAOYSA-N 0 3 387.448 -1.022 20 0 GAADHN C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001609289675 1076417395 /nfs/dbraw/zinc/41/73/95/1076417395.db2.gz QFRDQOLNCVDFTB-UHFFFAOYSA-N 0 3 387.448 -1.022 20 0 GAADHN C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001609289675 1076417393 /nfs/dbraw/zinc/41/73/93/1076417393.db2.gz QFRDQOLNCVDFTB-UHFFFAOYSA-N 0 3 387.448 -1.022 20 0 GAADHN C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609290112 1076417505 /nfs/dbraw/zinc/41/75/05/1076417505.db2.gz NFDSTBPFAUXHEN-CYBMUJFWSA-N 0 3 386.416 -1.186 20 0 GAADHN C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001609290112 1076417501 /nfs/dbraw/zinc/41/75/01/1076417501.db2.gz NFDSTBPFAUXHEN-CYBMUJFWSA-N 0 3 386.416 -1.186 20 0 GAADHN C[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609290113 1076417512 /nfs/dbraw/zinc/41/75/12/1076417512.db2.gz NFDSTBPFAUXHEN-ZDUSSCGKSA-N 0 3 386.416 -1.186 20 0 GAADHN C[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001609290113 1076417511 /nfs/dbraw/zinc/41/75/11/1076417511.db2.gz NFDSTBPFAUXHEN-ZDUSSCGKSA-N 0 3 386.416 -1.186 20 0 GAADHN C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001609290250 1076417497 /nfs/dbraw/zinc/41/74/97/1076417497.db2.gz YGIBXVNTTRMXJN-UHFFFAOYSA-N 0 3 393.477 -1.042 20 0 GAADHN Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1-c1nnn[n-]1 ZINC001609464447 1076420874 /nfs/dbraw/zinc/42/08/74/1076420874.db2.gz SZISZFJIQANPDM-SNVBAGLBSA-N 0 3 391.461 -1.160 20 0 GAADHN [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCC1 ZINC001609506310 1076423319 /nfs/dbraw/zinc/42/33/19/1076423319.db2.gz VQASLMDEUUYJIA-UHFFFAOYSA-N 0 3 385.432 -1.092 20 0 GAADHN [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCC1 ZINC001609506310 1076423316 /nfs/dbraw/zinc/42/33/16/1076423316.db2.gz VQASLMDEUUYJIA-UHFFFAOYSA-N 0 3 385.432 -1.092 20 0 GAADHN [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001609506311 1076423226 /nfs/dbraw/zinc/42/32/26/1076423226.db2.gz VSYOFZNFUJGSEG-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001609506311 1076423223 /nfs/dbraw/zinc/42/32/23/1076423223.db2.gz VSYOFZNFUJGSEG-CYBMUJFWSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001609506312 1076423311 /nfs/dbraw/zinc/42/33/11/1076423311.db2.gz VSYOFZNFUJGSEG-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001609506312 1076423308 /nfs/dbraw/zinc/42/33/08/1076423308.db2.gz VSYOFZNFUJGSEG-ZDUSSCGKSA-N 0 3 385.432 -1.236 20 0 GAADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001609508414 1076423255 /nfs/dbraw/zinc/42/32/55/1076423255.db2.gz UZTTYPFCXRGADY-CYBMUJFWSA-N 0 3 385.432 -1.140 20 0 GAADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001609508414 1076423253 /nfs/dbraw/zinc/42/32/53/1076423253.db2.gz UZTTYPFCXRGADY-CYBMUJFWSA-N 0 3 385.432 -1.140 20 0 GAADHN O=C(C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001609514804 1076423775 /nfs/dbraw/zinc/42/37/75/1076423775.db2.gz ARAARMSSCFNVRB-KGLIPLIRSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C(C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001609514804 1076423772 /nfs/dbraw/zinc/42/37/72/1076423772.db2.gz ARAARMSSCFNVRB-KGLIPLIRSA-N 0 3 397.443 -1.269 20 0 GAADHN O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001609527614 1076424122 /nfs/dbraw/zinc/42/41/22/1076424122.db2.gz MCAHJKUBINYURQ-QWRGUYRKSA-N 0 3 383.409 -1.039 20 0 GAADHN O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001609527614 1076424120 /nfs/dbraw/zinc/42/41/20/1076424120.db2.gz MCAHJKUBINYURQ-QWRGUYRKSA-N 0 3 383.409 -1.039 20 0 GAADHN O=C1CNC(=O)N1CCC[NH2+]CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001609589172 1076426271 /nfs/dbraw/zinc/42/62/71/1076426271.db2.gz LETMJEGTSDAWON-UHFFFAOYSA-N 0 3 394.417 -1.433 20 0 GAADHN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCNS(C)(=O)=O ZINC001612594129 1076436350 /nfs/dbraw/zinc/43/63/50/1076436350.db2.gz RUYAUINKLALPRK-AWEZNQCLSA-N 0 3 399.521 -1.121 20 0 GAADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCNS(C)(=O)=O ZINC001612594130 1076436318 /nfs/dbraw/zinc/43/63/18/1076436318.db2.gz RUYAUINKLALPRK-CQSZACIVSA-N 0 3 399.521 -1.121 20 0 GAADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001612595371 1076436373 /nfs/dbraw/zinc/43/63/73/1076436373.db2.gz NTXAKEBDPPPXRC-UHFFFAOYSA-N 0 3 399.521 -1.120 20 0 GAADHN CC(C)CCNC(=O)C1CCN(C(=O)CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001620418266 1076444357 /nfs/dbraw/zinc/44/43/57/1076444357.db2.gz QCTKDUZRQUEMSC-GASCZTMLSA-N 0 3 395.504 -1.094 20 0 GAADHN CC(C)CCNC(=O)C1CCN(C(=O)CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001620418267 1076444386 /nfs/dbraw/zinc/44/43/86/1076444386.db2.gz QCTKDUZRQUEMSC-GJZGRUSLSA-N 0 3 395.504 -1.094 20 0 GAADHN CC(C)CCNC(=O)C1CCN(C(=O)CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001620418268 1076444313 /nfs/dbraw/zinc/44/43/13/1076444313.db2.gz QCTKDUZRQUEMSC-HUUCEWRRSA-N 0 3 395.504 -1.094 20 0 GAADHN CN1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](CO)C1 ZINC001620433816 1076444289 /nfs/dbraw/zinc/44/42/89/1076444289.db2.gz BDHZBZGWXGUSFR-HNNXBMFYSA-N 0 3 384.502 -1.009 20 0 GAADHN CN1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](CO)C1 ZINC001620433817 1076444832 /nfs/dbraw/zinc/44/48/32/1076444832.db2.gz BDHZBZGWXGUSFR-OAHLLOKOSA-N 0 3 384.502 -1.009 20 0 GAADHN CS(=O)(=O)N1CC(CS(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1 ZINC001621729156 1076446532 /nfs/dbraw/zinc/44/65/32/1076446532.db2.gz ORHLJTLBURLKNU-CYBMUJFWSA-N 0 3 396.535 -1.615 20 0 GAADHN CS(=O)(=O)N1CC(CS(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1 ZINC001621729157 1076446542 /nfs/dbraw/zinc/44/65/42/1076446542.db2.gz ORHLJTLBURLKNU-ZDUSSCGKSA-N 0 3 396.535 -1.615 20 0 GAADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001621949124 1076447202 /nfs/dbraw/zinc/44/72/02/1076447202.db2.gz DYMKKENPCXWPQI-LLVKDONJSA-N 0 3 385.446 -1.587 20 0 GAADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001621949125 1076447214 /nfs/dbraw/zinc/44/72/14/1076447214.db2.gz DYMKKENPCXWPQI-NSHDSACASA-N 0 3 385.446 -1.587 20 0 GAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001623616869 1076453328 /nfs/dbraw/zinc/45/33/28/1076453328.db2.gz VQUMTJPDIMWYSY-CHWSQXEVSA-N 0 3 378.437 -2.057 20 0 GAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 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