smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326130 362222683 /nfs/dbraw/zinc/22/26/83/362222683.db2.gz KHEDJZLAXYLHST-QWRGUYRKSA-N 2 1 270.377 0.139 10 0 CCAEMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326130 362222687 /nfs/dbraw/zinc/22/26/87/362222687.db2.gz KHEDJZLAXYLHST-QWRGUYRKSA-N 2 1 270.377 0.139 10 0 CCAEMP CC1(C)C[N@H+](CCN2C(=O)CCC2=O)CC[C@H]1[NH3+] ZINC000261563926 137008322 /nfs/dbraw/zinc/00/83/22/137008322.db2.gz HBICITYOHWKBSW-SNVBAGLBSA-N 2 1 253.346 0.195 10 0 CCAEMP CC1(C)C[N@@H+](CCN2C(=O)CCC2=O)CC[C@H]1[NH3+] ZINC000261563926 137008323 /nfs/dbraw/zinc/00/83/23/137008323.db2.gz HBICITYOHWKBSW-SNVBAGLBSA-N 2 1 253.346 0.195 10 0 CCAEMP Cn1cnc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC000263180976 137059639 /nfs/dbraw/zinc/05/96/39/137059639.db2.gz GUJDTVZKXCUACW-RISCZKNCSA-N 2 1 260.341 0.243 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000262174665 137029812 /nfs/dbraw/zinc/02/98/12/137029812.db2.gz VPCWLEZNJNEMJX-WFASDCNBSA-N 2 1 272.352 0.747 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000262265932 137033565 /nfs/dbraw/zinc/03/35/65/137033565.db2.gz RZGIYODULLFFBF-IUODEOHRSA-N 2 1 273.380 0.985 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2ccccc2)n1 ZINC000263283896 137062601 /nfs/dbraw/zinc/06/26/01/137062601.db2.gz USDDEJFRPBLMIH-DZGCQCFKSA-N 2 1 286.379 0.757 10 0 CCAEMP C[C@@H](CNC(=O)C1C[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000263298964 137063242 /nfs/dbraw/zinc/06/32/42/137063242.db2.gz NAKWNIADNWRTDK-JTQLQIEISA-N 2 1 279.409 0.830 10 0 CCAEMP C[C@@H](CNC(=O)C1C[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000263298964 137063243 /nfs/dbraw/zinc/06/32/43/137063243.db2.gz NAKWNIADNWRTDK-JTQLQIEISA-N 2 1 279.409 0.830 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000263185984 137060031 /nfs/dbraw/zinc/06/00/31/137060031.db2.gz HGTGHOUSRZPPKW-KOLCDFICSA-N 2 1 278.381 0.808 10 0 CCAEMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263187921 137060076 /nfs/dbraw/zinc/06/00/76/137060076.db2.gz HOPWGRAEQOGVHD-AAEUAGOBSA-N 2 1 252.362 0.442 10 0 CCAEMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263187925 137060181 /nfs/dbraw/zinc/06/01/81/137060181.db2.gz HOPWGRAEQOGVHD-WCQYABFASA-N 2 1 252.362 0.442 10 0 CCAEMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263222097 137061033 /nfs/dbraw/zinc/06/10/33/137061033.db2.gz MAFSFOPASKEEAI-CZUORRHYSA-N 2 1 286.379 0.851 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000040805985 348242355 /nfs/dbraw/zinc/24/23/55/348242355.db2.gz TUDZNAQMHYCSMZ-TUAOUCFPSA-N 2 1 281.356 0.375 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081292770 349255327 /nfs/dbraw/zinc/25/53/27/349255327.db2.gz XIUNOWWSWINOGJ-OLZOCXBDSA-N 2 1 271.405 0.410 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081292770 349255332 /nfs/dbraw/zinc/25/53/32/349255332.db2.gz XIUNOWWSWINOGJ-OLZOCXBDSA-N 2 1 271.405 0.410 10 0 CCAEMP C[N@H+]1CCC[C@@H](NC(=O)CCOC2CC[NH2+]CC2)C1 ZINC000104379581 185986804 /nfs/dbraw/zinc/98/68/04/185986804.db2.gz UEIVILYNXLTHKF-GFCCVEGCSA-N 2 1 269.389 0.356 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCN2CCOCC2)C1 ZINC000105174355 186044431 /nfs/dbraw/zinc/04/44/31/186044431.db2.gz GQRLNADJBQITPU-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000130297848 350233847 /nfs/dbraw/zinc/23/38/47/350233847.db2.gz UBQKFNTYNHJVAD-DYEKYZERSA-N 2 1 280.416 0.957 10 0 CCAEMP C[N@H+]1C[C@H](CO)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000169791318 350840265 /nfs/dbraw/zinc/84/02/65/350840265.db2.gz VRIMXQYLMRSQJQ-CYBMUJFWSA-N 2 1 268.401 0.802 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000176257540 351165905 /nfs/dbraw/zinc/16/59/05/351165905.db2.gz AEKLFJHVUZQVSV-LBPRGKRZSA-N 2 1 256.394 0.674 10 0 CCAEMP C[C@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000226399420 352025603 /nfs/dbraw/zinc/02/56/03/352025603.db2.gz MEODCTZJRHIRNJ-GFCCVEGCSA-N 2 1 282.432 0.269 10 0 CCAEMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237078697 352242451 /nfs/dbraw/zinc/24/24/51/352242451.db2.gz XNJJZUSDQLUODS-STQMWFEESA-N 2 1 269.389 0.308 10 0 CCAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237078697 352242455 /nfs/dbraw/zinc/24/24/55/352242455.db2.gz XNJJZUSDQLUODS-STQMWFEESA-N 2 1 269.389 0.308 10 0 CCAEMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236901106 352225617 /nfs/dbraw/zinc/22/56/17/352225617.db2.gz GARQZUBMXLKJGE-STQMWFEESA-N 2 1 269.389 0.165 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)C3([NH3+])CCCC3)CC2)CCO1 ZINC000237397797 352263089 /nfs/dbraw/zinc/26/30/89/352263089.db2.gz PULBUXMYAABWGP-CYBMUJFWSA-N 2 1 295.427 0.970 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237508983 352268771 /nfs/dbraw/zinc/26/87/71/352268771.db2.gz DVIIWZKOHWSWKH-ZNMIVQPWSA-N 2 1 297.443 0.849 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237508983 352268773 /nfs/dbraw/zinc/26/87/73/352268773.db2.gz DVIIWZKOHWSWKH-ZNMIVQPWSA-N 2 1 297.443 0.849 10 0 CCAEMP C[C@H](C(N)=O)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245385378 352318263 /nfs/dbraw/zinc/31/82/63/352318263.db2.gz CGWKHCIUZFUMJK-FRRDWIJNSA-N 2 1 283.416 0.681 10 0 CCAEMP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245998101 352343584 /nfs/dbraw/zinc/34/35/84/352343584.db2.gz ITUIJMZFOFQEHF-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245998101 352343587 /nfs/dbraw/zinc/34/35/87/352343587.db2.gz ITUIJMZFOFQEHF-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000247241080 352406332 /nfs/dbraw/zinc/40/63/32/352406332.db2.gz ZYJFBMGOWPYXRF-LSDHHAIUSA-N 2 1 289.383 0.914 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000247241080 352406335 /nfs/dbraw/zinc/40/63/35/352406335.db2.gz ZYJFBMGOWPYXRF-LSDHHAIUSA-N 2 1 289.383 0.914 10 0 CCAEMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC000305767990 354161125 /nfs/dbraw/zinc/16/11/25/354161125.db2.gz TYXXNECPYLTMOG-IUODEOHRSA-N 2 1 295.427 0.432 10 0 CCAEMP CCS(=O)(=O)N1CC(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000408412012 358079849 /nfs/dbraw/zinc/07/98/49/358079849.db2.gz MPAVAHJLAFMMFT-YPMHNXCESA-N 2 1 289.445 0.198 10 0 CCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000178784149 283398718 /nfs/dbraw/zinc/39/87/18/283398718.db2.gz CGRGQTMHSPBCSY-HNNXBMFYSA-N 2 1 285.391 0.789 10 0 CCAEMP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178316036 189105521 /nfs/dbraw/zinc/10/55/21/189105521.db2.gz ZXQIWDXTEQXMTR-LBPRGKRZSA-N 2 1 293.371 0.502 10 0 CCAEMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178316036 189105522 /nfs/dbraw/zinc/10/55/22/189105522.db2.gz ZXQIWDXTEQXMTR-LBPRGKRZSA-N 2 1 293.371 0.502 10 0 CCAEMP CC(C)(C)n1nnc(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000656199957 412763865 /nfs/dbraw/zinc/76/38/65/412763865.db2.gz HCDNKJSAQWXIHF-UHFFFAOYSA-N 2 1 252.366 0.788 10 0 CCAEMP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336509702 296124931 /nfs/dbraw/zinc/12/49/31/296124931.db2.gz KZLOCBDHZYHIIY-YPMHNXCESA-N 2 1 287.354 0.833 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC3CCOCC3)C[C@@H]12 ZINC000629519761 369689030 /nfs/dbraw/zinc/68/90/30/369689030.db2.gz QXNMMACWLAJNHU-MRVWCRGKSA-N 2 1 254.374 0.851 10 0 CCAEMP C[NH2+]CCOCCNc1cc[nH+]cc1Br ZINC000630527689 370146793 /nfs/dbraw/zinc/14/67/93/370146793.db2.gz RJUBXSIWMFTEBL-UHFFFAOYSA-N 2 1 274.162 0.914 10 0 CCAEMP CC(C)[NH+]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634765061 372212515 /nfs/dbraw/zinc/21/25/15/372212515.db2.gz JRYHTJFCJNPMSY-ZFWWWQNUSA-N 2 1 265.401 0.929 10 0 CCAEMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333410221 205296786 /nfs/dbraw/zinc/29/67/86/205296786.db2.gz RDRFZSRWRDYLOK-GFCCVEGCSA-N 2 1 286.445 0.477 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638078447 374635971 /nfs/dbraw/zinc/63/59/71/374635971.db2.gz BLQWRPCBLVQGDD-NSHDSACASA-N 2 1 263.345 0.149 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638107775 374674535 /nfs/dbraw/zinc/67/45/35/374674535.db2.gz GPXBOXRFRSUAOK-DZGCQCFKSA-N 2 1 283.416 0.685 10 0 CCAEMP [NH3+]C[C@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCOC1 ZINC000638109375 374675620 /nfs/dbraw/zinc/67/56/20/374675620.db2.gz ULRMUVAQXUZEGB-TZMCWYRMSA-N 2 1 267.373 0.049 10 0 CCAEMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000638975941 375492162 /nfs/dbraw/zinc/49/21/62/375492162.db2.gz QOANSZLQCHWETH-GFCCVEGCSA-N 2 1 269.389 0.308 10 0 CCAEMP CC[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000247562496 285054728 /nfs/dbraw/zinc/05/47/28/285054728.db2.gz QYNOFZJREIUHCG-HOTGVXAUSA-N 2 1 299.459 0.486 10 0 CCAEMP CC[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000247562496 285054729 /nfs/dbraw/zinc/05/47/29/285054729.db2.gz QYNOFZJREIUHCG-HOTGVXAUSA-N 2 1 299.459 0.486 10 0 CCAEMP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335305573 208150161 /nfs/dbraw/zinc/15/01/61/208150161.db2.gz QSLATJVYJNDHOO-OLZOCXBDSA-N 2 1 266.389 0.476 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000311945955 389106208 /nfs/dbraw/zinc/10/62/08/389106208.db2.gz KKRFWOMGETURPI-ZNMIVQPWSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000311945955 389106209 /nfs/dbraw/zinc/10/62/09/389106209.db2.gz KKRFWOMGETURPI-ZNMIVQPWSA-N 2 1 269.433 0.858 10 0 CCAEMP Cn1ncc2c1ncnc2NC[C@H]1C[N@@H+](C)CCO1 ZINC000112012751 389116729 /nfs/dbraw/zinc/11/67/29/389116729.db2.gz DQZQNVHAGRTEOK-VIFPVBQESA-N 2 1 262.317 0.106 10 0 CCAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237549011 389191138 /nfs/dbraw/zinc/19/11/38/389191138.db2.gz DVIIWZKOHWSWKH-KFWWJZLASA-N 2 1 297.443 0.849 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C ZINC000178774491 389622070 /nfs/dbraw/zinc/62/20/70/389622070.db2.gz GFTOBRXBMIBOPG-WDEREUQCSA-N 2 1 257.378 0.027 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCCN1Cc1ncnn1C ZINC000177372702 389581204 /nfs/dbraw/zinc/58/12/04/389581204.db2.gz HEDJMYFSJFNMEL-GFCCVEGCSA-N 2 1 260.345 0.985 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261999837 285361227 /nfs/dbraw/zinc/36/12/27/285361227.db2.gz NIMAPQYKMTUKAX-NWDGAFQWSA-N 2 1 269.389 0.293 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261999837 285361229 /nfs/dbraw/zinc/36/12/29/285361229.db2.gz NIMAPQYKMTUKAX-NWDGAFQWSA-N 2 1 269.389 0.293 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)CC[C@@H]21 ZINC000643793062 390552567 /nfs/dbraw/zinc/55/25/67/390552567.db2.gz MJIRXWNUTYQEEL-RDBSUJKOSA-N 2 1 281.400 0.165 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)CC[C@@H]21 ZINC000643793060 390553248 /nfs/dbraw/zinc/55/32/48/390553248.db2.gz MJIRXWNUTYQEEL-MCIONIFRSA-N 2 1 281.400 0.165 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649298053 390557477 /nfs/dbraw/zinc/55/74/77/390557477.db2.gz NDJHTNVYMLAUNQ-GXTWGEPZSA-N 2 1 269.389 0.213 10 0 CCAEMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000649301599 390561564 /nfs/dbraw/zinc/56/15/64/390561564.db2.gz GENHNPLRNXDRPL-IPYPFGDCSA-N 2 1 281.400 0.498 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000044538739 411629083 /nfs/dbraw/zinc/62/90/83/411629083.db2.gz GIIPVHWFADBDEV-PNESKVBLSA-N 2 1 253.390 0.962 10 0 CCAEMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000311006608 411747377 /nfs/dbraw/zinc/74/73/77/411747377.db2.gz JIDWVRDKTSUTNF-MRVWCRGKSA-N 2 1 256.390 0.582 10 0 CCAEMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000311006608 411747381 /nfs/dbraw/zinc/74/73/81/411747381.db2.gz JIDWVRDKTSUTNF-MRVWCRGKSA-N 2 1 256.390 0.582 10 0 CCAEMP C[C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)[NH2+]1 ZINC000037393637 173174326 /nfs/dbraw/zinc/17/43/26/173174326.db2.gz PDUPJWSKVPJGBL-STQMWFEESA-N 2 1 269.389 0.356 10 0 CCAEMP CCN1C(=O)C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1=O ZINC000038042093 174044022 /nfs/dbraw/zinc/04/40/22/174044022.db2.gz MMJWKYSFICLJRU-QWHCGFSZSA-N 2 1 281.400 0.845 10 0 CCAEMP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000662263226 414702464 /nfs/dbraw/zinc/70/24/64/414702464.db2.gz LKLHROWSWRSJIZ-QWHCGFSZSA-N 2 1 251.374 0.287 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662845071 414835613 /nfs/dbraw/zinc/83/56/13/414835613.db2.gz DGUBDCPMYZFZPQ-CHWSQXEVSA-N 2 1 283.416 0.459 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000071189610 176065544 /nfs/dbraw/zinc/06/55/44/176065544.db2.gz JSGJNLDXQHDESY-GXTWGEPZSA-N 2 1 253.390 0.786 10 0 CCAEMP C[NH+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000171777926 335079543 /nfs/dbraw/zinc/07/95/43/335079543.db2.gz CGXYTVJHBIIJRC-CQSZACIVSA-N 2 1 283.416 0.651 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C ZINC000168016826 544729075 /nfs/dbraw/zinc/72/90/75/544729075.db2.gz LFNXPBCFLUUORW-XQQFMLRXSA-N 2 1 269.389 0.293 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C ZINC000168016826 544729078 /nfs/dbraw/zinc/72/90/78/544729078.db2.gz LFNXPBCFLUUORW-XQQFMLRXSA-N 2 1 269.389 0.293 10 0 CCAEMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220563748 544815449 /nfs/dbraw/zinc/81/54/49/544815449.db2.gz BXFOUXRBRYUDHU-ZIAGYGMSSA-N 2 1 253.390 0.393 10 0 CCAEMP C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)[C@H](C[NH3+])C1 ZINC000261732579 544937075 /nfs/dbraw/zinc/93/70/75/544937075.db2.gz HUBCHQWDEHBRHB-VWYCJHECSA-N 2 1 275.343 0.817 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(C(C)(C)C)n1 ZINC000263133419 274892146 /nfs/dbraw/zinc/89/21/46/274892146.db2.gz BXABUWFIUDJQCO-PWSUYJOCSA-N 2 1 266.389 0.388 10 0 CCAEMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1C[NH3+] ZINC000333305985 278005617 /nfs/dbraw/zinc/00/56/17/278005617.db2.gz QWJACNIGJZXGTF-MLGHIDQZSA-N 2 1 269.389 0.195 10 0 CCAEMP CC1(C)CN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[C@@H]1[NH3+] ZINC000334920395 278307568 /nfs/dbraw/zinc/30/75/68/278307568.db2.gz DWZVFXVNQVWFCZ-AAEUAGOBSA-N 2 1 280.416 0.992 10 0 CCAEMP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[N@@H+](C)Cc1ccccc1 ZINC000262326895 279226339 /nfs/dbraw/zinc/22/63/39/279226339.db2.gz GFMPPVCXJWJXMN-YUELXQCFSA-N 2 1 291.395 0.203 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000334954035 288849960 /nfs/dbraw/zinc/84/99/60/288849960.db2.gz CXFCEVRQJCMCFX-AAEUAGOBSA-N 2 1 266.389 0.617 10 0 CCAEMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000262402250 300395919 /nfs/dbraw/zinc/39/59/19/300395919.db2.gz OHOYJUXTHGYYJY-AVGNSLFASA-N 2 1 253.390 0.927 10 0 CCAEMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000235678803 300396062 /nfs/dbraw/zinc/39/60/62/300396062.db2.gz OHOYJUXTHGYYJY-RWMBFGLXSA-N 2 1 253.390 0.927 10 0 CCAEMP CC[C@@H](C)[NH+]1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000055083918 522129169 /nfs/dbraw/zinc/12/91/69/522129169.db2.gz OEZBZUSVPDNQNR-CHWSQXEVSA-N 2 1 289.445 0.484 10 0 CCAEMP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000052395820 522436989 /nfs/dbraw/zinc/43/69/89/522436989.db2.gz FDQKFCQHZOSWGR-TZMCWYRMSA-N 2 1 261.369 0.985 10 0 CCAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000053012455 519723581 /nfs/dbraw/zinc/72/35/81/519723581.db2.gz XDMSPTTUIFGEMR-AWEZNQCLSA-N 2 1 255.406 0.639 10 0 CCAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000053012455 519723583 /nfs/dbraw/zinc/72/35/83/519723583.db2.gz XDMSPTTUIFGEMR-AWEZNQCLSA-N 2 1 255.406 0.639 10 0 CCAEMP CC[NH2+][C@@H](C)CC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000061273614 520064208 /nfs/dbraw/zinc/06/42/08/520064208.db2.gz FBASHFAGAOBIBB-ZDUSSCGKSA-N 2 1 270.421 0.128 10 0 CCAEMP COc1c(C)c[nH+]c(CN(CC[NH3+])CC[NH3+])c1C ZINC000061805859 521808831 /nfs/dbraw/zinc/80/88/31/521808831.db2.gz KPVFPEJOYTWURS-UHFFFAOYSA-N 3 1 252.362 0.426 10 0 CCAEMP C[NH2+]CCC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000262329223 536443637 /nfs/dbraw/zinc/44/36/37/536443637.db2.gz GLPLQVGGKZGOIY-GFCCVEGCSA-N 2 1 269.389 0.308 10 0 CCAEMP COc1ccccc1/C=C/C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263143958 536980280 /nfs/dbraw/zinc/98/02/80/536980280.db2.gz CMWKMBIDSVQBJF-HXINVUTJSA-N 2 1 262.353 0.878 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000310667886 623438347 /nfs/dbraw/zinc/43/83/47/623438347.db2.gz FKHQXKICPSQGEP-RTXFEEFZSA-N 2 1 251.374 0.809 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227411537 637025753 /nfs/dbraw/zinc/02/57/53/637025753.db2.gz IEEPUJQHIIYNCI-XQQFMLRXSA-N 2 1 269.389 0.435 10 0 CCAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090798880 349443761 /nfs/dbraw/zinc/44/37/61/349443761.db2.gz PRKPHWJYXGYSDS-XQQFMLRXSA-N 2 1 289.445 0.340 10 0 CCAEMP O=C(COC1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000113705043 349818252 /nfs/dbraw/zinc/81/82/52/349818252.db2.gz NQSIEOOCFRVXDH-GFCCVEGCSA-N 2 1 267.373 0.062 10 0 CCAEMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000261541173 137007062 /nfs/dbraw/zinc/00/70/62/137007062.db2.gz FSDBDZURPFJBRS-DZGCQCFKSA-N 2 1 291.395 0.612 10 0 CCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000261541173 137007063 /nfs/dbraw/zinc/00/70/63/137007063.db2.gz FSDBDZURPFJBRS-DZGCQCFKSA-N 2 1 291.395 0.612 10 0 CCAEMP C[NH2+][C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1cnn(C)c1 ZINC000262356920 137039824 /nfs/dbraw/zinc/03/98/24/137039824.db2.gz JUJNCEUQRXQPKL-QWHCGFSZSA-N 2 1 279.388 0.137 10 0 CCAEMP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)O1 ZINC000261801239 137020660 /nfs/dbraw/zinc/02/06/60/137020660.db2.gz OEPQQXBJYSXWLC-KFWWJZLASA-N 2 1 295.427 0.873 10 0 CCAEMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000261856459 137022942 /nfs/dbraw/zinc/02/29/42/137022942.db2.gz VYXWFWRYVYBDIA-ILXRZTDVSA-N 2 1 289.379 0.176 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc(OC)c1OC ZINC000263160026 137059329 /nfs/dbraw/zinc/05/93/29/137059329.db2.gz DUEIAKJNBJCLJQ-NEPJUHHUSA-N 2 1 296.367 0.382 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000263305539 137063598 /nfs/dbraw/zinc/06/35/98/137063598.db2.gz XUJRPJWBIZKQTG-GXFFZTMASA-N 2 1 290.392 0.875 10 0 CCAEMP Cc1ccn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)cnc2c1 ZINC000263310753 137063703 /nfs/dbraw/zinc/06/37/03/137063703.db2.gz YOBUCMHTQCRGAI-YPMHNXCESA-N 2 1 260.341 0.313 10 0 CCAEMP COCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263186987 137060224 /nfs/dbraw/zinc/06/02/24/137060224.db2.gz HLJHQRQOOWWQII-DZGCQCFKSA-N 2 1 280.368 0.382 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129800088 350223273 /nfs/dbraw/zinc/22/32/73/350223273.db2.gz LEEWSSXYKJKVDH-CQSZACIVSA-N 2 1 296.459 0.613 10 0 CCAEMP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)CC[N@H+]1C ZINC000151251294 350496770 /nfs/dbraw/zinc/49/67/70/350496770.db2.gz OWJJQEPWRUQMSI-ILXRZTDVSA-N 3 1 269.433 0.906 10 0 CCAEMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000165108993 350787750 /nfs/dbraw/zinc/78/77/50/350787750.db2.gz QSKLOODRYZGCMB-KGLIPLIRSA-N 2 1 283.416 0.746 10 0 CCAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000165108993 350787753 /nfs/dbraw/zinc/78/77/53/350787753.db2.gz QSKLOODRYZGCMB-KGLIPLIRSA-N 2 1 283.416 0.746 10 0 CCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000165907464 350793745 /nfs/dbraw/zinc/79/37/45/350793745.db2.gz YPNGZBPRAUELAC-KBPBESRZSA-N 2 1 295.427 0.840 10 0 CCAEMP C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171897797 350941444 /nfs/dbraw/zinc/94/14/44/350941444.db2.gz RPKFFSWWABHJRL-ZDUSSCGKSA-N 2 1 266.389 0.570 10 0 CCAEMP CN1CCN([C@H]2CCCC[N@@H+](CCn3cccn3)C2)CC1 ZINC000174903583 351110089 /nfs/dbraw/zinc/11/00/89/351110089.db2.gz DKEZBILRBYOHDB-INIZCTEOSA-N 2 1 291.443 0.985 10 0 CCAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCn3cccn3)C2)CC1 ZINC000174903583 351110091 /nfs/dbraw/zinc/11/00/91/351110091.db2.gz DKEZBILRBYOHDB-INIZCTEOSA-N 2 1 291.443 0.985 10 0 CCAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCn3cccn3)C2)CC1 ZINC000174903583 351110093 /nfs/dbraw/zinc/11/00/93/351110093.db2.gz DKEZBILRBYOHDB-INIZCTEOSA-N 2 1 291.443 0.985 10 0 CCAEMP C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000178861300 351249205 /nfs/dbraw/zinc/24/92/05/351249205.db2.gz ZTIKTSZWLYOTSP-DZGCQCFKSA-N 2 1 295.427 0.555 10 0 CCAEMP CCC[NH+](CCC)CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000236992723 352234498 /nfs/dbraw/zinc/23/44/98/352234498.db2.gz GPLBNIOZGTZRAX-CYBMUJFWSA-N 2 1 271.405 0.603 10 0 CCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246562836 352373825 /nfs/dbraw/zinc/37/38/25/352373825.db2.gz ZMPWOGFEQNMRAA-KBPBESRZSA-N 2 1 298.431 0.348 10 0 CCAEMP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000249058408 352475667 /nfs/dbraw/zinc/47/56/67/352475667.db2.gz ZIHGVJRBIXOXIT-ZKXZWOTCSA-N 2 1 295.427 0.837 10 0 CCAEMP COC(=O)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250362865 352504517 /nfs/dbraw/zinc/50/45/17/352504517.db2.gz GMERJPDFDDNVQZ-QWHCGFSZSA-N 2 1 297.399 0.130 10 0 CCAEMP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000300257733 354061029 /nfs/dbraw/zinc/06/10/29/354061029.db2.gz GGPKRIZGZRTQRO-MELADBBJSA-N 2 1 274.405 0.282 10 0 CCAEMP COC[C@H](C)OC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000300257733 354061033 /nfs/dbraw/zinc/06/10/33/354061033.db2.gz GGPKRIZGZRTQRO-MELADBBJSA-N 2 1 274.405 0.282 10 0 CCAEMP COC[C@H](C)OC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000300257733 354061035 /nfs/dbraw/zinc/06/10/35/354061035.db2.gz GGPKRIZGZRTQRO-MELADBBJSA-N 2 1 274.405 0.282 10 0 CCAEMP O=C1NCCN1CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000328685511 202010239 /nfs/dbraw/zinc/01/02/39/202010239.db2.gz XMLQGTNKBOHKLW-ZDUSSCGKSA-N 2 1 276.340 0.764 10 0 CCAEMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CCCC[NH2+]C1 ZINC000333789756 354793887 /nfs/dbraw/zinc/79/38/87/354793887.db2.gz FZMIJFDNWNQZCR-STQMWFEESA-N 2 1 291.399 0.887 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C)CC2)C1 ZINC000334434281 354864082 /nfs/dbraw/zinc/86/40/82/354864082.db2.gz NMFBEPXDWXDGNC-GFCCVEGCSA-N 2 1 254.378 0.428 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334434281 354864089 /nfs/dbraw/zinc/86/40/89/354864089.db2.gz NMFBEPXDWXDGNC-GFCCVEGCSA-N 2 1 254.378 0.428 10 0 CCAEMP CO[C@@](C)(C[NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000398969015 357780577 /nfs/dbraw/zinc/78/05/77/357780577.db2.gz UOHFEZZYVNQKHA-AWEZNQCLSA-N 2 1 256.390 0.848 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@H](CC[NH3+])C1 ZINC000616662348 365415398 /nfs/dbraw/zinc/41/53/98/365415398.db2.gz AMPKGQHWJCMOOR-GFCCVEGCSA-N 2 1 287.404 0.808 10 0 CCAEMP CCOC(=O)c1ccccc1[C@@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616634248 365393297 /nfs/dbraw/zinc/39/32/97/365393297.db2.gz OMDTUWJGDIMNIE-AWEZNQCLSA-N 2 1 277.368 0.768 10 0 CCAEMP C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[N@@H+](C)C1CC1 ZINC000634767454 372213867 /nfs/dbraw/zinc/21/38/67/372213867.db2.gz WXSSFIASAFCFOD-HUBLWGQQSA-N 2 1 265.401 0.975 10 0 CCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333362653 205256548 /nfs/dbraw/zinc/25/65/48/205256548.db2.gz LIEORQLMXGCCAB-QWHCGFSZSA-N 2 1 268.405 0.770 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCC1C[NH2+]C1 ZINC000638109005 374675915 /nfs/dbraw/zinc/67/59/15/374675915.db2.gz QOLCUAPGOCNDLR-ZDUSSCGKSA-N 2 1 253.390 0.929 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000638109918 374679056 /nfs/dbraw/zinc/67/90/56/374679056.db2.gz ZOAJIUIMCXPFAC-SGMGOOAPSA-N 2 1 267.373 0.060 10 0 CCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334916530 207288616 /nfs/dbraw/zinc/28/86/16/207288616.db2.gz BCTVGDMRTMKCNL-ZDUSSCGKSA-N 2 1 280.416 0.866 10 0 CCAEMP CSC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000187879689 388900751 /nfs/dbraw/zinc/90/07/51/388900751.db2.gz ICDWFCMBJMJLED-JSGCOSHPSA-N 2 1 290.473 0.735 10 0 CCAEMP CO[C@@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCOC1 ZINC000312062640 389106861 /nfs/dbraw/zinc/10/68/61/389106861.db2.gz JBUSTLILYURJRZ-ZIAGYGMSSA-N 2 1 272.389 0.228 10 0 CCAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263227183 389298865 /nfs/dbraw/zinc/29/88/65/389298865.db2.gz MZDRAEMZGUFNSL-RYUDHWBXSA-N 2 1 266.341 0.374 10 0 CCAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000333431711 389413251 /nfs/dbraw/zinc/41/32/51/389413251.db2.gz URPNYXRWOILAPP-MGPQQGTHSA-N 2 1 282.432 0.953 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181412004 389685351 /nfs/dbraw/zinc/68/53/51/389685351.db2.gz KWPDMYQPVIORTL-ZDUSSCGKSA-N 2 1 279.388 0.233 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181412004 389685358 /nfs/dbraw/zinc/68/53/58/389685358.db2.gz KWPDMYQPVIORTL-ZDUSSCGKSA-N 2 1 279.388 0.233 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000399197071 389789063 /nfs/dbraw/zinc/78/90/63/389789063.db2.gz LWWHDOUNFFDMFT-RYUDHWBXSA-N 2 1 251.374 0.681 10 0 CCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000408094436 389826485 /nfs/dbraw/zinc/82/64/85/389826485.db2.gz HEVXKQWOIOHXGP-UPJWGTAASA-N 2 1 289.445 0.198 10 0 CCAEMP [NH3+]C1CCC(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000037812663 397387376 /nfs/dbraw/zinc/38/73/76/397387376.db2.gz MLYKLZYTQACEJE-WXRRBKDZSA-N 2 1 251.374 0.811 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCC[C@H]2C1 ZINC000310945215 411748185 /nfs/dbraw/zinc/74/81/85/411748185.db2.gz XQKGUKPBLVRMBC-UONOGXRCSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000310945215 411748188 /nfs/dbraw/zinc/74/81/88/411748188.db2.gz XQKGUKPBLVRMBC-UONOGXRCSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000310945215 411748195 /nfs/dbraw/zinc/74/81/95/411748195.db2.gz XQKGUKPBLVRMBC-UONOGXRCSA-N 2 1 255.406 0.468 10 0 CCAEMP C[C@@H]1CN([C@]2(C[NH3+])C[NH+]3CCC2CC3)C[C@@H](C)O1 ZINC000020442140 171205377 /nfs/dbraw/zinc/20/53/77/171205377.db2.gz SEEJPRUWFUYQOM-YRGRVCCFSA-N 2 1 253.390 0.519 10 0 CCAEMP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(O)CC1 ZINC000022218561 171376651 /nfs/dbraw/zinc/37/66/51/171376651.db2.gz RUKXIFBSSUFVGK-LLVKDONJSA-N 2 1 277.368 0.929 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653114453 412225492 /nfs/dbraw/zinc/22/54/92/412225492.db2.gz IRUCZQXXIWAGII-NXEZZACHSA-N 2 1 297.321 0.079 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653113886 412226331 /nfs/dbraw/zinc/22/63/31/412226331.db2.gz QYUIBXCDSYIIDD-HBNTYKKESA-N 2 1 293.333 0.842 10 0 CCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C1CCC2(CC1)OCCO2 ZINC000038030900 174024070 /nfs/dbraw/zinc/02/40/70/174024070.db2.gz VITQMHRPGWOYCF-UHFFFAOYSA-N 2 1 297.399 0.036 10 0 CCAEMP COC[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043326 174050049 /nfs/dbraw/zinc/05/00/49/174050049.db2.gz GASGIQCNPZWSLG-OCCSQVGLSA-N 2 1 283.416 0.696 10 0 CCAEMP COC[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043326 174050051 /nfs/dbraw/zinc/05/00/51/174050051.db2.gz GASGIQCNPZWSLG-OCCSQVGLSA-N 2 1 283.416 0.696 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000662855136 414846429 /nfs/dbraw/zinc/84/64/29/414846429.db2.gz VUDTYQOWHZAYGM-LLVKDONJSA-N 2 1 269.389 0.483 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000071193293 176075197 /nfs/dbraw/zinc/07/51/97/176075197.db2.gz FNDDEJMEUOFGBJ-XQQFMLRXSA-N 2 1 253.390 0.914 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000250898331 544924848 /nfs/dbraw/zinc/92/48/48/544924848.db2.gz AHZGKPSAAFJVKN-MGPQQGTHSA-N 2 1 281.400 0.437 10 0 CCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000252446569 544929977 /nfs/dbraw/zinc/92/99/77/544929977.db2.gz WVSCYFCHWQJRIC-BFHYXJOUSA-N 2 1 283.416 0.683 10 0 CCAEMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262075762 544939689 /nfs/dbraw/zinc/93/96/89/544939689.db2.gz DGDRXSCHONECGS-VXGBXAGGSA-N 2 1 252.362 0.308 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000262153494 544942339 /nfs/dbraw/zinc/94/23/39/544942339.db2.gz RPCJABJRNZEKNC-QWRGUYRKSA-N 2 1 272.295 0.958 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000333481122 279035178 /nfs/dbraw/zinc/03/51/78/279035178.db2.gz CCFLEOLBASJLEY-LOWVWBTDSA-N 2 1 272.368 0.470 10 0 CCAEMP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N(CCO)C1CC1 ZINC000038043234 280086457 /nfs/dbraw/zinc/08/64/57/280086457.db2.gz PEMLXCRQNLTRND-AWEZNQCLSA-N 2 1 281.400 0.186 10 0 CCAEMP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N(CCO)C1CC1 ZINC000038043234 280086459 /nfs/dbraw/zinc/08/64/59/280086459.db2.gz PEMLXCRQNLTRND-AWEZNQCLSA-N 2 1 281.400 0.186 10 0 CCAEMP CC[C@@H](C(N)=O)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408080928 280090456 /nfs/dbraw/zinc/09/04/56/280090456.db2.gz LRVUNUAMZFPTLQ-OCCSQVGLSA-N 2 1 282.432 0.351 10 0 CCAEMP CC[C@@H](C(N)=O)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408080928 280090457 /nfs/dbraw/zinc/09/04/57/280090457.db2.gz LRVUNUAMZFPTLQ-OCCSQVGLSA-N 2 1 282.432 0.351 10 0 CCAEMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000237959089 280104300 /nfs/dbraw/zinc/10/43/00/280104300.db2.gz CDCWWQDOVNCTDE-KBPBESRZSA-N 2 1 281.400 0.452 10 0 CCAEMP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000334155723 295265564 /nfs/dbraw/zinc/26/55/64/295265564.db2.gz WDKXUJYADDMCEP-ZJUUUORDSA-N 2 1 261.316 0.571 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399095974 545089095 /nfs/dbraw/zinc/08/90/95/545089095.db2.gz SNQGOLSZUZOMQU-YJNKXOJESA-N 2 1 270.417 0.780 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399095974 545089096 /nfs/dbraw/zinc/08/90/96/545089096.db2.gz SNQGOLSZUZOMQU-YJNKXOJESA-N 2 1 270.417 0.780 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399095974 545089097 /nfs/dbraw/zinc/08/90/97/545089097.db2.gz SNQGOLSZUZOMQU-YJNKXOJESA-N 2 1 270.417 0.780 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000389523314 545086678 /nfs/dbraw/zinc/08/66/78/545086678.db2.gz AAYSGAJCNBLMHB-OLZOCXBDSA-N 2 1 253.390 0.977 10 0 CCAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000053012453 519922969 /nfs/dbraw/zinc/92/29/69/519922969.db2.gz SAKFLVCMKGWMPO-AWEZNQCLSA-N 2 1 255.406 0.640 10 0 CCAEMP CCO[C@H](C[NH3+])CC[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000062741106 520516233 /nfs/dbraw/zinc/51/62/33/520516233.db2.gz GCNBDYQLJYBWGT-NWDGAFQWSA-N 2 1 257.378 0.341 10 0 CCAEMP CC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C3CC3)CC2)O1 ZINC000052371391 519978911 /nfs/dbraw/zinc/97/89/11/519978911.db2.gz UJEPSQAZRODQKI-CABCVRRESA-N 2 1 267.417 0.924 10 0 CCAEMP CN1CCC([N@@H+](C)CCN2CCC[NH2+]CC2)CC1 ZINC000061274942 522831685 /nfs/dbraw/zinc/83/16/85/522831685.db2.gz NKCSZXBMJDNAPS-UHFFFAOYSA-N 2 1 254.422 0.308 10 0 CCAEMP CN(CCN1CCC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000061274942 522831692 /nfs/dbraw/zinc/83/16/92/522831692.db2.gz NKCSZXBMJDNAPS-UHFFFAOYSA-N 2 1 254.422 0.308 10 0 CCAEMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055130425 523979146 /nfs/dbraw/zinc/97/91/46/523979146.db2.gz SMNSVYSMYPDFRT-UPJWGTAASA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H]1[NH3+] ZINC000055136304 524178392 /nfs/dbraw/zinc/17/83/92/524178392.db2.gz RIPAFWCVBDTQQN-QNWHQSFQSA-N 2 1 253.390 0.960 10 0 CCAEMP OCC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667842944 545157574 /nfs/dbraw/zinc/15/75/74/545157574.db2.gz UKCGFZRTQUGDMZ-KBPBESRZSA-N 2 1 254.374 0.600 10 0 CCAEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262677631 535133879 /nfs/dbraw/zinc/13/38/79/535133879.db2.gz TZWBBLWYWWWLMP-QWHCGFSZSA-N 2 1 269.389 0.069 10 0 CCAEMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262677631 535133877 /nfs/dbraw/zinc/13/38/77/535133877.db2.gz TZWBBLWYWWWLMP-QWHCGFSZSA-N 2 1 269.389 0.069 10 0 CCAEMP COC(=O)c1cn(C[N@H+](C)CC2CC[NH+](C)CC2)nn1 ZINC000103461823 616960413 /nfs/dbraw/zinc/96/04/13/616960413.db2.gz XBHIEVIAXINIHE-UHFFFAOYSA-N 2 1 281.360 0.296 10 0 CCAEMP COC(=O)c1cn(C[N@@H+](C)CC2CC[NH+](C)CC2)nn1 ZINC000103461823 616960415 /nfs/dbraw/zinc/96/04/15/616960415.db2.gz XBHIEVIAXINIHE-UHFFFAOYSA-N 2 1 281.360 0.296 10 0 CCAEMP CCc1c[nH+]c(N)nc1N1CCN(C)C2(CC[NH2+]CC2)C1 ZINC000095384407 623262063 /nfs/dbraw/zinc/26/20/63/623262063.db2.gz BHQPHOWXPWPDPY-UHFFFAOYSA-N 2 1 290.415 0.495 10 0 CCAEMP CCCCOC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310912045 623591470 /nfs/dbraw/zinc/59/14/70/623591470.db2.gz DEEFNDCVRTVHDC-RFQIPJPRSA-N 2 1 256.390 0.833 10 0 CCAEMP [NH3+]C1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000091667909 649708422 /nfs/dbraw/zinc/70/84/22/649708422.db2.gz PYLYXKNEUBUWOD-CLRIEMFWSA-N 2 1 281.400 0.483 10 0 CCAEMP CC(C)([NH3+])Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686259 649709792 /nfs/dbraw/zinc/70/97/92/649709792.db2.gz LHEGENRUUZIQIJ-ZJUUUORDSA-N 2 1 266.345 0.885 10 0 CCAEMP CC(C)([NH3+])Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686259 649709793 /nfs/dbraw/zinc/70/97/93/649709793.db2.gz LHEGENRUUZIQIJ-ZJUUUORDSA-N 2 1 266.345 0.885 10 0 CCAEMP [NH3+][C@H](Cc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1)C1CC1 ZINC000252538529 649827739 /nfs/dbraw/zinc/82/77/39/649827739.db2.gz ARWGHQNVVUDUBZ-TUAOUCFPSA-N 2 1 278.356 0.885 10 0 CCAEMP [NH3+][C@H](Cc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1)C1CC1 ZINC000252538529 649827740 /nfs/dbraw/zinc/82/77/40/649827740.db2.gz ARWGHQNVVUDUBZ-TUAOUCFPSA-N 2 1 278.356 0.885 10 0 CCAEMP CC(C)[NH2+]CCN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248788591 136995170 /nfs/dbraw/zinc/99/51/70/136995170.db2.gz WWXTUCKJOZFFCN-UONOGXRCSA-N 2 1 255.406 0.637 10 0 CCAEMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262462791 137044031 /nfs/dbraw/zinc/04/40/31/137044031.db2.gz XJWCACMDFBTWHB-DGCLKSJQSA-N 2 1 253.390 0.962 10 0 CCAEMP Cc1cccc2ncc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)n21 ZINC000263129539 137058822 /nfs/dbraw/zinc/05/88/22/137058822.db2.gz BOFFZKFPFKPZNI-WCQYABFASA-N 2 1 260.341 0.313 10 0 CCAEMP Cc1cccc2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)n21 ZINC000263129543 137058977 /nfs/dbraw/zinc/05/89/77/137058977.db2.gz BOFFZKFPFKPZNI-YPMHNXCESA-N 2 1 260.341 0.313 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc(OC)c1OC ZINC000263161207 137059117 /nfs/dbraw/zinc/05/91/17/137059117.db2.gz DUEIAKJNBJCLJQ-VXGBXAGGSA-N 2 1 296.367 0.382 10 0 CCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000263283156 137062404 /nfs/dbraw/zinc/06/24/04/137062404.db2.gz UOJBZBFJTPDHDP-BSWAZPDLSA-N 2 1 289.423 0.992 10 0 CCAEMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000310919057 137072984 /nfs/dbraw/zinc/07/29/84/137072984.db2.gz GVBIRJKJMAEACL-TZMCWYRMSA-N 2 1 255.406 0.325 10 0 CCAEMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@H+](C)C1 ZINC000310919057 137072985 /nfs/dbraw/zinc/07/29/85/137072985.db2.gz GVBIRJKJMAEACL-TZMCWYRMSA-N 2 1 255.406 0.325 10 0 CCAEMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000310919057 137072986 /nfs/dbraw/zinc/07/29/86/137072986.db2.gz GVBIRJKJMAEACL-TZMCWYRMSA-N 2 1 255.406 0.325 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081292772 349255413 /nfs/dbraw/zinc/25/54/13/349255413.db2.gz XIUNOWWSWINOGJ-CHWSQXEVSA-N 2 1 271.405 0.410 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081292772 349255415 /nfs/dbraw/zinc/25/54/15/349255415.db2.gz XIUNOWWSWINOGJ-CHWSQXEVSA-N 2 1 271.405 0.410 10 0 CCAEMP O=C([C@@H]1COCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000088371163 349362561 /nfs/dbraw/zinc/36/25/61/349362561.db2.gz XSZMQLYERXDHNI-AWEZNQCLSA-N 2 1 281.400 0.309 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000105862062 186079439 /nfs/dbraw/zinc/07/94/39/186079439.db2.gz XHWSEZKWEHSLQC-ZDUSSCGKSA-N 2 1 299.459 0.926 10 0 CCAEMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901692 350941087 /nfs/dbraw/zinc/94/10/87/350941087.db2.gz VGCYYYHZJFKUSU-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901692 350941089 /nfs/dbraw/zinc/94/10/89/350941089.db2.gz VGCYYYHZJFKUSU-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901692 350941092 /nfs/dbraw/zinc/94/10/92/350941092.db2.gz VGCYYYHZJFKUSU-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000237398525 352262883 /nfs/dbraw/zinc/26/28/83/352262883.db2.gz CHBFCRCDWRBWBG-OCCSQVGLSA-N 2 1 281.400 0.450 10 0 CCAEMP CCC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+](C)C ZINC000245930694 352342438 /nfs/dbraw/zinc/34/24/38/352342438.db2.gz YILFRGJIIYPGDK-HZSPNIEDSA-N 2 1 285.432 0.630 10 0 CCAEMP CCC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+](C)C ZINC000245930694 352342442 /nfs/dbraw/zinc/34/24/42/352342442.db2.gz YILFRGJIIYPGDK-HZSPNIEDSA-N 2 1 285.432 0.630 10 0 CCAEMP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245998096 352343730 /nfs/dbraw/zinc/34/37/30/352343730.db2.gz ITUIJMZFOFQEHF-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245998096 352343734 /nfs/dbraw/zinc/34/37/34/352343734.db2.gz ITUIJMZFOFQEHF-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H](C(N)=O)O1 ZINC000248132070 352432300 /nfs/dbraw/zinc/43/23/00/352432300.db2.gz WQTZYIOGUCXMFN-IJLUTSLNSA-N 2 1 255.362 0.045 10 0 CCAEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CN3CCCC3=O)CC[C@@H]21 ZINC000248163792 352432803 /nfs/dbraw/zinc/43/28/03/352432803.db2.gz SPCUJQYHEMZSPM-KFWWJZLASA-N 2 1 295.427 0.386 10 0 CCAEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CN3CCCC3=O)CC[C@@H]21 ZINC000248163792 352432807 /nfs/dbraw/zinc/43/28/07/352432807.db2.gz SPCUJQYHEMZSPM-KFWWJZLASA-N 2 1 295.427 0.386 10 0 CCAEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CN3CCCC3=O)CC[C@@H]21 ZINC000248163792 352432811 /nfs/dbraw/zinc/43/28/11/352432811.db2.gz SPCUJQYHEMZSPM-KFWWJZLASA-N 2 1 295.427 0.386 10 0 CCAEMP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC000250815993 352508215 /nfs/dbraw/zinc/50/82/15/352508215.db2.gz FHQXMTUHPMNEER-CHWSQXEVSA-N 2 1 254.374 0.744 10 0 CCAEMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCOCC1 ZINC000250815993 352508217 /nfs/dbraw/zinc/50/82/17/352508217.db2.gz FHQXMTUHPMNEER-CHWSQXEVSA-N 2 1 254.374 0.744 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CC[NH+](C)C1 ZINC000311127637 354196824 /nfs/dbraw/zinc/19/68/24/354196824.db2.gz IMZQZOLZNUJDFY-KGLIPLIRSA-N 2 1 257.422 0.571 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000311127637 354196827 /nfs/dbraw/zinc/19/68/27/354196827.db2.gz IMZQZOLZNUJDFY-KGLIPLIRSA-N 2 1 257.422 0.571 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000311127637 354196831 /nfs/dbraw/zinc/19/68/31/354196831.db2.gz IMZQZOLZNUJDFY-KGLIPLIRSA-N 2 1 257.422 0.571 10 0 CCAEMP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333891037 354811892 /nfs/dbraw/zinc/81/18/92/354811892.db2.gz YFJLUDJBWKNIQH-CYBMUJFWSA-N 2 1 266.389 0.690 10 0 CCAEMP C[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000631837225 370701968 /nfs/dbraw/zinc/70/19/68/370701968.db2.gz PHJPFQCQPRGZLZ-WDEREUQCSA-N 2 1 260.403 0.338 10 0 CCAEMP C[C@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000631837225 370701970 /nfs/dbraw/zinc/70/19/70/370701970.db2.gz PHJPFQCQPRGZLZ-WDEREUQCSA-N 2 1 260.403 0.338 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842875 370708095 /nfs/dbraw/zinc/70/80/95/370708095.db2.gz GZTYIQNXSKLVHA-YPMHNXCESA-N 2 1 279.359 0.969 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842875 370708097 /nfs/dbraw/zinc/70/80/97/370708097.db2.gz GZTYIQNXSKLVHA-YPMHNXCESA-N 2 1 279.359 0.969 10 0 CCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766008 372212300 /nfs/dbraw/zinc/21/23/00/372212300.db2.gz NNFHHEUMYYWZFD-OBJOEFQTSA-N 2 1 251.374 0.587 10 0 CCAEMP C[N@H+]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766009 372213034 /nfs/dbraw/zinc/21/30/34/372213034.db2.gz NNFHHEUMYYWZFD-SCRDCRAPSA-N 2 1 251.374 0.587 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638081162 374640153 /nfs/dbraw/zinc/64/01/53/374640153.db2.gz WCFABEWLBSZDID-ZFWWWQNUSA-N 2 1 283.416 0.746 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000335285377 208102162 /nfs/dbraw/zinc/10/21/62/208102162.db2.gz MOBNLJXPOIWSFM-VXGBXAGGSA-N 2 1 254.378 0.474 10 0 CCAEMP COCCOCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000175648194 285090880 /nfs/dbraw/zinc/09/08/80/285090880.db2.gz AEBDDKLHFZQDOT-AWEZNQCLSA-N 2 1 288.432 0.674 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000193629123 285298725 /nfs/dbraw/zinc/29/87/25/285298725.db2.gz ZRMRHQYWJWHKNH-KFWWJZLASA-N 2 1 294.443 0.032 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000193629123 285298730 /nfs/dbraw/zinc/29/87/30/285298730.db2.gz ZRMRHQYWJWHKNH-KFWWJZLASA-N 2 1 294.443 0.032 10 0 CCAEMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000187192375 388870839 /nfs/dbraw/zinc/87/08/39/388870839.db2.gz NJKQJKKAYHNNHR-ZDUSSCGKSA-N 2 1 286.420 0.084 10 0 CCAEMP CC[NH+](CCO)CCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000187192375 388870840 /nfs/dbraw/zinc/87/08/40/388870840.db2.gz NJKQJKKAYHNNHR-ZDUSSCGKSA-N 2 1 286.420 0.084 10 0 CCAEMP CC[NH+](CCO)CCNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000187192375 388870842 /nfs/dbraw/zinc/87/08/42/388870842.db2.gz NJKQJKKAYHNNHR-ZDUSSCGKSA-N 2 1 286.420 0.084 10 0 CCAEMP CC(C)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000187182716 388871173 /nfs/dbraw/zinc/87/11/73/388871173.db2.gz DYYQJQMGMHEPAQ-ZBFHGGJFSA-N 2 1 297.443 0.632 10 0 CCAEMP C[C@H]1CN(C(=O)[C@@H]2CCCn3ccnc32)CC[N@@H+]1CCO ZINC000188694990 388937412 /nfs/dbraw/zinc/93/74/12/388937412.db2.gz PWLLKFWYWDRHLB-QWHCGFSZSA-N 2 1 292.383 0.286 10 0 CCAEMP C[N@@H+]1CCN(C(=O)C2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000090035373 389019427 /nfs/dbraw/zinc/01/94/27/389019427.db2.gz ALALHPRIJMYYPF-AWEZNQCLSA-N 2 1 259.353 0.721 10 0 CCAEMP C[N@H+]1CCN(C(=O)C2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000090035373 389019432 /nfs/dbraw/zinc/01/94/32/389019432.db2.gz ALALHPRIJMYYPF-AWEZNQCLSA-N 2 1 259.353 0.721 10 0 CCAEMP COC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915583 389089034 /nfs/dbraw/zinc/08/90/34/389089034.db2.gz WUQZROGKZPEXSJ-LLVKDONJSA-N 2 1 258.362 0.184 10 0 CCAEMP COC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915583 389089037 /nfs/dbraw/zinc/08/90/37/389089037.db2.gz WUQZROGKZPEXSJ-LLVKDONJSA-N 2 1 258.362 0.184 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000333897362 389448665 /nfs/dbraw/zinc/44/86/65/389448665.db2.gz AZSFOBNXGIVBMB-QJPTWQEYSA-N 2 1 254.378 0.520 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334916528 389508861 /nfs/dbraw/zinc/50/88/61/389508861.db2.gz BCTVGDMRTMKCNL-CYBMUJFWSA-N 2 1 280.416 0.866 10 0 CCAEMP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[N@H+](C3CC3)CC2)C1 ZINC000178747207 389619448 /nfs/dbraw/zinc/61/94/48/389619448.db2.gz RGUDFTLXOPHCRQ-NEPJUHHUSA-N 2 1 251.374 0.811 10 0 CCAEMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282537809 195639196 /nfs/dbraw/zinc/63/91/96/195639196.db2.gz ZLLWSSWWHAOSSR-PWSUYJOCSA-N 2 1 250.346 0.838 10 0 CCAEMP COC[C@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000649328097 390586193 /nfs/dbraw/zinc/58/61/93/390586193.db2.gz XJMMOFMIADJPIW-JSGCOSHPSA-N 2 1 267.373 0.062 10 0 CCAEMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000649301600 390561272 /nfs/dbraw/zinc/56/12/72/390561272.db2.gz GENHNPLRNXDRPL-NFAWXSAZSA-N 2 1 281.400 0.498 10 0 CCAEMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649305899 390565889 /nfs/dbraw/zinc/56/58/89/390565889.db2.gz LGAWLXREPHLEGL-OAHLLOKOSA-N 2 1 291.395 0.471 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649335097 390591520 /nfs/dbraw/zinc/59/15/20/390591520.db2.gz FCAOBZMWKXURKY-WOPDTQHZSA-N 2 1 287.354 0.926 10 0 CCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649318490 390576308 /nfs/dbraw/zinc/57/63/08/390576308.db2.gz PCRILRMCOVZELK-NWDGAFQWSA-N 2 1 257.378 0.069 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649337545 390593676 /nfs/dbraw/zinc/59/36/76/390593676.db2.gz SQOPZQAZHXVMNK-RDBSUJKOSA-N 2 1 281.400 0.308 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578365162 390880393 /nfs/dbraw/zinc/88/03/93/390880393.db2.gz YIXFSTLARDNONW-NDBYEHHHSA-N 2 1 251.374 0.809 10 0 CCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335377989 287220155 /nfs/dbraw/zinc/22/01/55/287220155.db2.gz MPINNVGLHYGCDA-VXGBXAGGSA-N 2 1 252.362 0.226 10 0 CCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)COCC[NH3+] ZINC000309731497 411745377 /nfs/dbraw/zinc/74/53/77/411745377.db2.gz PHCMFHGRLDDLRO-ZDUSSCGKSA-N 2 1 279.384 0.598 10 0 CCAEMP COc1cccc([C@@H](C[NH3+])N2CC[NH+](CCO)CC2)c1 ZINC000020225796 171090013 /nfs/dbraw/zinc/09/00/13/171090013.db2.gz QZIUSKVKCDQZHK-OAHLLOKOSA-N 2 1 279.384 0.305 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589749 414730748 /nfs/dbraw/zinc/73/07/48/414730748.db2.gz DCHPPJJBPRIUAR-GHMZBOCLSA-N 2 1 257.378 0.197 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662618414 414733190 /nfs/dbraw/zinc/73/31/90/414733190.db2.gz BICUHOSJGFKIIW-GRYCIOLGSA-N 2 1 253.390 0.831 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000662855144 414845415 /nfs/dbraw/zinc/84/54/15/414845415.db2.gz VUDTYQOWHZAYGM-NSHDSACASA-N 2 1 269.389 0.483 10 0 CCAEMP CCOC(=O)[C@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150948 176045246 /nfs/dbraw/zinc/04/52/46/176045246.db2.gz DSNAHRWAILZZCC-GFCCVEGCSA-N 2 1 257.378 0.023 10 0 CCAEMP CC[NH2+][C@@](C)(CCN(C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071191024 176067313 /nfs/dbraw/zinc/06/73/13/176067313.db2.gz KXWWIVYHAQOSHQ-OCCSQVGLSA-N 2 1 270.421 0.114 10 0 CCAEMP C[N@@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[NH+](C)C1 ZINC000071190886 176068376 /nfs/dbraw/zinc/06/83/76/176068376.db2.gz WFNIXIXLXVWZBK-GXTWGEPZSA-N 2 1 271.405 0.842 10 0 CCAEMP C[NH+](CCCC[C@@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[N@H+](C)C1 ZINC000071190886 176068377 /nfs/dbraw/zinc/06/83/77/176068377.db2.gz WFNIXIXLXVWZBK-GXTWGEPZSA-N 2 1 271.405 0.842 10 0 CCAEMP C[NH+](CCCC[C@@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190886 176068379 /nfs/dbraw/zinc/06/83/79/176068379.db2.gz WFNIXIXLXVWZBK-GXTWGEPZSA-N 2 1 271.405 0.842 10 0 CCAEMP C[N@H+](Cc1ccc2nccnc2c1)C[C@]1(O)CC[NH2+]C1 ZINC000077505652 177276168 /nfs/dbraw/zinc/27/61/68/177276168.db2.gz CBBQAGZDCXUSEF-HNNXBMFYSA-N 2 1 272.352 0.786 10 0 CCAEMP C[N@@H+](Cc1ccc2nccnc2c1)C[C@]1(O)CC[NH2+]C1 ZINC000077505652 177276170 /nfs/dbraw/zinc/27/61/70/177276170.db2.gz CBBQAGZDCXUSEF-HNNXBMFYSA-N 2 1 272.352 0.786 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457969 544514789 /nfs/dbraw/zinc/51/47/89/544514789.db2.gz TVYOMKVAMMRXTI-KGLIPLIRSA-N 2 1 283.416 0.542 10 0 CCAEMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220563805 544816519 /nfs/dbraw/zinc/81/65/19/544816519.db2.gz BXFOUXRBRYUDHU-UONOGXRCSA-N 2 1 253.390 0.393 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C ZINC000246302698 544909209 /nfs/dbraw/zinc/90/92/09/544909209.db2.gz OCDGMYPVLNDTEM-XQHKEYJVSA-N 2 1 269.389 0.027 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C ZINC000246302698 544909214 /nfs/dbraw/zinc/90/92/14/544909214.db2.gz OCDGMYPVLNDTEM-XQHKEYJVSA-N 2 1 269.389 0.027 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1C[C@H](C)O ZINC000261716951 544937089 /nfs/dbraw/zinc/93/70/89/544937089.db2.gz JRVUFKOSLCRTED-GBJTYRQASA-N 2 1 297.443 0.665 10 0 CCAEMP O=C(NC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000333729409 545042375 /nfs/dbraw/zinc/04/23/75/545042375.db2.gz HQDUGFIEVSWYJK-JSGCOSHPSA-N 2 1 280.416 0.912 10 0 CCAEMP CC(C)(C)[NH2+]CCN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062973829 278369788 /nfs/dbraw/zinc/36/97/88/278369788.db2.gz OLFZYQOXVDFKFY-ZDUSSCGKSA-N 2 1 255.406 0.781 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449697 279334316 /nfs/dbraw/zinc/33/43/16/279334316.db2.gz QRZZMLAQNMBMJH-FRRDWIJNSA-N 2 1 253.390 0.962 10 0 CCAEMP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394380318 545088027 /nfs/dbraw/zinc/08/80/27/545088027.db2.gz NTJJBXHOYHNNIC-ZIAGYGMSSA-N 2 1 280.416 0.025 10 0 CCAEMP CN(CCC[NH3+])C(=O)C[N@H+]1CCC[C@H]1CCCO ZINC000052758042 522740426 /nfs/dbraw/zinc/74/04/26/522740426.db2.gz ZPERFOJVRSLKGY-LBPRGKRZSA-N 2 1 257.378 0.031 10 0 CCAEMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH2+]CC2)[C@@H]1C ZINC000050564942 524217251 /nfs/dbraw/zinc/21/72/51/524217251.db2.gz KTOFJMZILQRVED-CHWSQXEVSA-N 2 1 253.390 0.929 10 0 CCAEMP C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C[C@@H]1[NH3+] ZINC000055130378 524335060 /nfs/dbraw/zinc/33/50/60/524335060.db2.gz ARKZBTSNEZUQOS-RVMXOQNASA-N 2 1 253.390 0.818 10 0 CCAEMP [NH3+]CCCC[C@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757205160 581698262 /nfs/dbraw/zinc/69/82/62/581698262.db2.gz UGCISGTWSHCFGA-VIFPVBQESA-N 2 1 255.322 0.035 10 0 CCAEMP CC[N@@H+]1CCO[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000134706699 615186675 /nfs/dbraw/zinc/18/66/75/615186675.db2.gz BAFPJFRRUUGVOT-GFCCVEGCSA-N 2 1 254.378 0.764 10 0 CCAEMP CC[N@H+]1CCO[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000134706699 615186676 /nfs/dbraw/zinc/18/66/76/615186676.db2.gz BAFPJFRRUUGVOT-GFCCVEGCSA-N 2 1 254.378 0.764 10 0 CCAEMP CC[C@@H]1CN(C(=O)CCCCC[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000155678099 615557667 /nfs/dbraw/zinc/55/76/67/615557667.db2.gz UETMPBQLPZRBSF-ZIAGYGMSSA-N 2 1 285.432 0.809 10 0 CCAEMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CCOC1=S ZINC000103462054 616169088 /nfs/dbraw/zinc/16/90/88/616169088.db2.gz GDANPSJXDOPRFN-UHFFFAOYSA-N 2 1 257.403 0.835 10 0 CCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311240973 623683211 /nfs/dbraw/zinc/68/32/11/623683211.db2.gz ZEKHDMSVEJEQGJ-MGPQQGTHSA-N 2 1 256.390 0.848 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]12 ZINC000307953677 624823325 /nfs/dbraw/zinc/82/33/25/624823325.db2.gz YBZFXXSRNYAAME-DOLQZWNJSA-N 2 1 252.280 0.969 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000252571733 638401393 /nfs/dbraw/zinc/40/13/93/638401393.db2.gz BTAFGYIULPTMRS-OLZOCXBDSA-N 2 1 289.445 0.484 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000092634016 649725510 /nfs/dbraw/zinc/72/55/10/649725510.db2.gz BTAFGYIULPTMRS-CHWSQXEVSA-N 2 1 289.445 0.484 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251582292 649812547 /nfs/dbraw/zinc/81/25/47/649812547.db2.gz CKSYNRSNVGOOPF-UTUOFQBUSA-N 2 1 255.362 0.045 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@@H+]1CCOC ZINC000117305980 349884666 /nfs/dbraw/zinc/88/46/66/349884666.db2.gz IPEHNWLLBFPRKH-AWEZNQCLSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@H+]1CCOC ZINC000117305980 349884667 /nfs/dbraw/zinc/88/46/67/349884667.db2.gz IPEHNWLLBFPRKH-AWEZNQCLSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[NH+]1CCOC ZINC000117305980 349884668 /nfs/dbraw/zinc/88/46/68/349884668.db2.gz IPEHNWLLBFPRKH-AWEZNQCLSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[NH+]1CCOC ZINC000117305980 349884669 /nfs/dbraw/zinc/88/46/69/349884669.db2.gz IPEHNWLLBFPRKH-AWEZNQCLSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[NH+](CC)CCN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000119725221 349949580 /nfs/dbraw/zinc/94/95/80/349949580.db2.gz KQCKDLLETVWQQW-LSDHHAIUSA-N 2 1 269.433 0.981 10 0 CCAEMP O=C1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CN1 ZINC000261968718 137027084 /nfs/dbraw/zinc/02/70/84/137027084.db2.gz QHJYTFXJJBEDHX-RVMXOQNASA-N 2 1 267.373 0.012 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2cccs2)n1 ZINC000263251169 137061928 /nfs/dbraw/zinc/06/19/28/137061928.db2.gz PZGGSMGYYPCMJC-ZYHUDNBSSA-N 2 1 292.408 0.819 10 0 CCAEMP C[NH2+]C[C@@H](C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000263301449 137063286 /nfs/dbraw/zinc/06/32/86/137063286.db2.gz ZHOYHETZQGDYEQ-CHWSQXEVSA-N 2 1 283.416 0.554 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)C[NH2+]CC3CC3)CC2)CCO1 ZINC000263302279 137063526 /nfs/dbraw/zinc/06/35/26/137063526.db2.gz ZRUOEBVVAQGRPO-CYBMUJFWSA-N 2 1 295.427 0.698 10 0 CCAEMP COCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263186989 137060133 /nfs/dbraw/zinc/06/01/33/137060133.db2.gz HLJHQRQOOWWQII-HIFRSBDPSA-N 2 1 280.368 0.382 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC000054290697 348548107 /nfs/dbraw/zinc/54/81/07/348548107.db2.gz WMUDUTDMWBCOSM-CYBMUJFWSA-N 2 1 269.389 0.215 10 0 CCAEMP CC(C)(C)OC(=O)[C@H]([NH3+])CCCN1CC[NH2+]CC1 ZINC000090623473 180015018 /nfs/dbraw/zinc/01/50/18/180015018.db2.gz QQAGCDJMQSIJIG-LLVKDONJSA-N 2 1 257.378 0.341 10 0 CCAEMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000105144503 186044184 /nfs/dbraw/zinc/04/41/84/186044184.db2.gz KNDTYNCQMWOFPC-CYBMUJFWSA-N 2 1 292.427 0.960 10 0 CCAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000105144503 186044185 /nfs/dbraw/zinc/04/41/85/186044185.db2.gz KNDTYNCQMWOFPC-CYBMUJFWSA-N 2 1 292.427 0.960 10 0 CCAEMP CN1CC[NH+](CCCNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136209623 350418939 /nfs/dbraw/zinc/41/89/39/350418939.db2.gz XHNILSXKWNWITN-OAHLLOKOSA-N 2 1 282.432 0.272 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136205997 350419061 /nfs/dbraw/zinc/41/90/61/350419061.db2.gz VAEQQYPOUHDNFB-GXTWGEPZSA-N 2 1 253.390 0.977 10 0 CCAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162111850 350736395 /nfs/dbraw/zinc/73/63/95/350736395.db2.gz YWDFJOABUQSMET-STQMWFEESA-N 2 1 253.390 0.833 10 0 CCAEMP CC(C)[NH2+]CCN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000193457801 351828601 /nfs/dbraw/zinc/82/86/01/351828601.db2.gz WWXTUCKJOZFFCN-KGLIPLIRSA-N 2 1 255.406 0.637 10 0 CCAEMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)CC(C)C ZINC000236830372 352220182 /nfs/dbraw/zinc/22/01/82/352220182.db2.gz HHTOLVAXCMPDER-KGLIPLIRSA-N 2 1 285.432 0.848 10 0 CCAEMP CC[NH+](CC)CCCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000236845514 352221717 /nfs/dbraw/zinc/22/17/17/352221717.db2.gz OTKZXQOVWRFUIP-GFCCVEGCSA-N 2 1 257.378 0.213 10 0 CCAEMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246562842 352373519 /nfs/dbraw/zinc/37/35/19/352373519.db2.gz ZMPWOGFEQNMRAA-KGLIPLIRSA-N 2 1 298.431 0.348 10 0 CCAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000247489468 352416969 /nfs/dbraw/zinc/41/69/69/352416969.db2.gz WTSNXSIKCYZYFT-QLFBSQMISA-N 2 1 296.459 0.467 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000247489468 352416972 /nfs/dbraw/zinc/41/69/72/352416972.db2.gz WTSNXSIKCYZYFT-QLFBSQMISA-N 2 1 296.459 0.467 10 0 CCAEMP C[C@@]1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000250799286 352507740 /nfs/dbraw/zinc/50/77/40/352507740.db2.gz NVIKWDHYIAYFOP-JSGCOSHPSA-N 2 1 251.374 0.825 10 0 CCAEMP C[C@@]1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000250799286 352507742 /nfs/dbraw/zinc/50/77/42/352507742.db2.gz NVIKWDHYIAYFOP-JSGCOSHPSA-N 2 1 251.374 0.825 10 0 CCAEMP CC(C)CNC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333827598 354801324 /nfs/dbraw/zinc/80/13/24/354801324.db2.gz IUUPIETUKSTKBW-KGLIPLIRSA-N 2 1 295.427 0.459 10 0 CCAEMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000336791729 355164776 /nfs/dbraw/zinc/16/47/76/355164776.db2.gz OSSUTNALBVGFOS-IHRRRGAJSA-N 2 1 256.390 0.990 10 0 CCAEMP CC(C)[NH+]1CCC([NH2+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000328966779 202132104 /nfs/dbraw/zinc/13/21/04/202132104.db2.gz SSOHFAAODBLXNQ-UONOGXRCSA-N 2 1 279.388 0.680 10 0 CCAEMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000408412011 358079569 /nfs/dbraw/zinc/07/95/69/358079569.db2.gz MPAVAHJLAFMMFT-WCQYABFASA-N 2 1 289.445 0.198 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000335593652 291191368 /nfs/dbraw/zinc/19/13/68/291191368.db2.gz JTVWBUKOCYDITJ-DGCLKSJQSA-N 2 1 251.374 0.681 10 0 CCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000631840696 370705696 /nfs/dbraw/zinc/70/56/96/370705696.db2.gz UPODXOMZQFLQTO-AGIUHOORSA-N 2 1 289.445 0.185 10 0 CCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOC3CCOCC3)C[C@H]12 ZINC000629519757 369689319 /nfs/dbraw/zinc/68/93/19/369689319.db2.gz QXNMMACWLAJNHU-FPMFFAJLSA-N 2 1 254.374 0.851 10 0 CCAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000333431709 205316732 /nfs/dbraw/zinc/31/67/32/205316732.db2.gz URPNYXRWOILAPP-BFHYXJOUSA-N 2 1 282.432 0.953 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638081316 374638907 /nfs/dbraw/zinc/63/89/07/374638907.db2.gz XQJRBOWDTUZDIF-SCRDCRAPSA-N 2 1 269.389 0.354 10 0 CCAEMP CCOC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915526 389088508 /nfs/dbraw/zinc/08/85/08/389088508.db2.gz FQXJUYSAJZCLRH-ZDUSSCGKSA-N 2 1 286.416 0.964 10 0 CCAEMP CCNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915626 389088789 /nfs/dbraw/zinc/08/87/89/389088789.db2.gz GXTPDAYXQZGCKC-LBPRGKRZSA-N 2 1 271.405 0.147 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000313114004 389111077 /nfs/dbraw/zinc/11/10/77/389111077.db2.gz OOJXXSJUTAOCEP-CABCVRRESA-N 2 1 285.432 0.096 10 0 CCAEMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000313114004 389111080 /nfs/dbraw/zinc/11/10/80/389111080.db2.gz OOJXXSJUTAOCEP-CABCVRRESA-N 2 1 285.432 0.096 10 0 CCAEMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000313114004 389111084 /nfs/dbraw/zinc/11/10/84/389111084.db2.gz OOJXXSJUTAOCEP-CABCVRRESA-N 2 1 285.432 0.096 10 0 CCAEMP C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000313952914 389116379 /nfs/dbraw/zinc/11/63/79/389116379.db2.gz CJCAYCGGQRMBDI-PWSUYJOCSA-N 2 1 250.346 0.609 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248961373 389251005 /nfs/dbraw/zinc/25/10/05/389251005.db2.gz HVQJOFQRNMJRGH-MNOVXSKESA-N 2 1 289.383 0.364 10 0 CCAEMP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000333527310 389417954 /nfs/dbraw/zinc/41/79/54/389417954.db2.gz HKPKLINQEHQDPB-KGLIPLIRSA-N 2 1 298.431 0.396 10 0 CCAEMP CC(=O)N1CC[N@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000334318309 389466172 /nfs/dbraw/zinc/46/61/72/389466172.db2.gz WGASQBMEKSPMST-ZDUSSCGKSA-N 2 1 253.390 0.929 10 0 CCAEMP CC(=O)N1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000334318309 389466178 /nfs/dbraw/zinc/46/61/78/389466178.db2.gz WGASQBMEKSPMST-ZDUSSCGKSA-N 2 1 253.390 0.929 10 0 CCAEMP O[C@@]1(CN[C@@H]2CC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422980755 389516455 /nfs/dbraw/zinc/51/64/55/389516455.db2.gz QXLUGGHCXWXGBX-HZPDHXFCSA-N 2 1 275.396 0.575 10 0 CCAEMP CC[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@H+]1CCOC ZINC000178776775 389622200 /nfs/dbraw/zinc/62/22/00/389622200.db2.gz QYMNOGLNKWMNPG-LBPRGKRZSA-N 2 1 271.405 0.683 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1CNc1cc[nH+]cc1Br ZINC000420233918 389969598 /nfs/dbraw/zinc/96/95/98/389969598.db2.gz CBGWRWDFSKKLAZ-OIBJUYFYSA-N 2 1 272.146 0.258 10 0 CCAEMP C[N@H+](CCCCS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000647912793 390216821 /nfs/dbraw/zinc/21/68/21/390216821.db2.gz BQEYKPRFFSYBTM-GFCCVEGCSA-N 2 1 262.419 0.885 10 0 CCAEMP C[N@@H+](CCCCS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000647912793 390216823 /nfs/dbraw/zinc/21/68/23/390216823.db2.gz BQEYKPRFFSYBTM-GFCCVEGCSA-N 2 1 262.419 0.885 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000643781223 390546534 /nfs/dbraw/zinc/54/65/34/390546534.db2.gz MZPBXFIXMXTLRF-VNHYZAJKSA-N 2 1 281.400 0.450 10 0 CCAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304856 390563527 /nfs/dbraw/zinc/56/35/27/390563527.db2.gz KEKWCPMEPNOAKY-STQMWFEESA-N 2 1 269.389 0.069 10 0 CCAEMP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000649311325 390568927 /nfs/dbraw/zinc/56/89/27/390568927.db2.gz IAPALSALRDJELC-NWDGAFQWSA-N 2 1 287.354 0.928 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251533848 297094416 /nfs/dbraw/zinc/09/44/16/297094416.db2.gz ALOZUOLBHBCHHU-FDYHWXHSSA-N 2 1 251.374 0.809 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000310775359 411747965 /nfs/dbraw/zinc/74/79/65/411747965.db2.gz ALNFWCZRYUHPKB-QWHCGFSZSA-N 2 1 253.390 0.977 10 0 CCAEMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653112678 412224766 /nfs/dbraw/zinc/22/47/66/412224766.db2.gz GSIQBYBIWIYHOK-FBIMIBRVSA-N 2 1 291.317 0.737 10 0 CCAEMP C[C@@H]([NH2+]CCN1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210157 173031862 /nfs/dbraw/zinc/03/18/62/173031862.db2.gz GJJFPUJLVVWQEG-ZIAGYGMSSA-N 2 1 255.406 0.639 10 0 CCAEMP O=C([C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCC[C@@H](CO)C1 ZINC000038043248 174050291 /nfs/dbraw/zinc/05/02/91/174050291.db2.gz IIPCZTPPIOBTOX-UKRRQHHQSA-N 2 1 295.427 0.434 10 0 CCAEMP O=C([C@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC[C@@H](CO)C1 ZINC000038043248 174050293 /nfs/dbraw/zinc/05/02/93/174050293.db2.gz IIPCZTPPIOBTOX-UKRRQHHQSA-N 2 1 295.427 0.434 10 0 CCAEMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000040430434 174259968 /nfs/dbraw/zinc/25/99/68/174259968.db2.gz DIKKJIPIMWMJDW-WDEREUQCSA-N 2 1 251.330 0.751 10 0 CCAEMP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000662844798 414836778 /nfs/dbraw/zinc/83/67/78/414836778.db2.gz BFCFPUIWMXLYCN-NWDGAFQWSA-N 2 1 269.389 0.211 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000662844798 414836782 /nfs/dbraw/zinc/83/67/82/414836782.db2.gz BFCFPUIWMXLYCN-NWDGAFQWSA-N 2 1 269.389 0.211 10 0 CCAEMP O=C(CCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171810614 335081082 /nfs/dbraw/zinc/08/10/82/335081082.db2.gz IRDRTXLFRIKWRJ-OAHLLOKOSA-N 2 1 295.427 0.796 10 0 CCAEMP O=C(CCCC[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171810614 335081083 /nfs/dbraw/zinc/08/10/83/335081083.db2.gz IRDRTXLFRIKWRJ-OAHLLOKOSA-N 2 1 295.427 0.796 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000333842521 545043655 /nfs/dbraw/zinc/04/36/55/545043655.db2.gz ONRCNYXPUCODSZ-XQQFMLRXSA-N 2 1 291.399 0.885 10 0 CCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000333136406 277393464 /nfs/dbraw/zinc/39/34/64/277393464.db2.gz CLLPLFXWGYMSCL-CHWSQXEVSA-N 2 1 268.405 0.768 10 0 CCAEMP CC[N@H+](CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000181440993 279051060 /nfs/dbraw/zinc/05/10/60/279051060.db2.gz HHHBRPQLPWFAHL-CQSZACIVSA-N 2 1 291.399 0.377 10 0 CCAEMP CC[N@@H+](CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000181440993 279051061 /nfs/dbraw/zinc/05/10/61/279051061.db2.gz HHHBRPQLPWFAHL-CQSZACIVSA-N 2 1 291.399 0.377 10 0 CCAEMP CC[NH+](CC)CCN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000119725398 279104335 /nfs/dbraw/zinc/10/43/35/279104335.db2.gz KQCKDLLETVWQQW-HUUCEWRRSA-N 2 1 269.433 0.981 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699982 288130897 /nfs/dbraw/zinc/13/08/97/288130897.db2.gz FKOQLQPBKQNJTR-HBJVGIJOSA-N 2 1 265.401 0.960 10 0 CCAEMP C[C@H]1C[NH2+]CCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333788426 300321217 /nfs/dbraw/zinc/32/12/17/300321217.db2.gz MCWAFAKUAHQLGP-ZDUSSCGKSA-N 2 1 297.447 0.016 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051114252 523841185 /nfs/dbraw/zinc/84/11/85/523841185.db2.gz VSDJILRYDZJSJX-SNVBAGLBSA-N 2 1 263.345 0.439 10 0 CCAEMP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000055130400 525663151 /nfs/dbraw/zinc/66/31/51/525663151.db2.gz YTCVYONIGOGCRH-CYDGBPFRSA-N 2 1 253.390 0.818 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263217835 535724859 /nfs/dbraw/zinc/72/48/59/535724859.db2.gz LEYKDJSWOBQFDP-CHWSQXEVSA-N 2 1 280.368 0.764 10 0 CCAEMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311850548 536358024 /nfs/dbraw/zinc/35/80/24/536358024.db2.gz OOBYGLOJVPDVNF-JSGCOSHPSA-N 2 1 269.389 0.173 10 0 CCAEMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311850548 536358028 /nfs/dbraw/zinc/35/80/28/536358028.db2.gz OOBYGLOJVPDVNF-JSGCOSHPSA-N 2 1 269.389 0.173 10 0 CCAEMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311850548 536358031 /nfs/dbraw/zinc/35/80/31/536358031.db2.gz OOBYGLOJVPDVNF-JSGCOSHPSA-N 2 1 269.389 0.173 10 0 CCAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434145 625291108 /nfs/dbraw/zinc/29/11/08/625291108.db2.gz WLIHDBWUBSTVDV-XQQFMLRXSA-N 2 1 269.389 0.090 10 0 CCAEMP O[C@@H](CN1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000310559528 623348483 /nfs/dbraw/zinc/34/84/83/623348483.db2.gz RFTUQQDYDGPQDI-UONOGXRCSA-N 2 1 253.390 0.223 10 0 CCAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000336533992 282199057 /nfs/dbraw/zinc/19/90/57/282199057.db2.gz YIBXJLUYTONKGY-ZJUUUORDSA-N 2 1 261.316 0.394 10 0 CCAEMP C[C@@H](C[NH3+])C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000262479124 137044402 /nfs/dbraw/zinc/04/44/02/137044402.db2.gz ZESZZAJEUFAQGZ-NWDGAFQWSA-N 2 1 269.389 0.293 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262620245 137048282 /nfs/dbraw/zinc/04/82/82/137048282.db2.gz DVIIWZKOHWSWKH-QLFBSQMISA-N 2 1 297.443 0.849 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262620245 137048283 /nfs/dbraw/zinc/04/82/83/137048283.db2.gz DVIIWZKOHWSWKH-QLFBSQMISA-N 2 1 297.443 0.849 10 0 CCAEMP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262619276 137048402 /nfs/dbraw/zinc/04/84/02/137048402.db2.gz DQDZDJRYMDQNEL-ZIAGYGMSSA-N 2 1 283.416 0.603 10 0 CCAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262619276 137048403 /nfs/dbraw/zinc/04/84/03/137048403.db2.gz DQDZDJRYMDQNEL-ZIAGYGMSSA-N 2 1 283.416 0.603 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000263122501 137058915 /nfs/dbraw/zinc/05/89/15/137058915.db2.gz BBJTWORZCDWLBF-ZYHUDNBSSA-N 2 1 278.381 0.808 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000263239903 137061352 /nfs/dbraw/zinc/06/13/52/137061352.db2.gz OMRBIVZSGDOUFG-NWDGAFQWSA-N 2 1 264.325 0.128 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000263252767 137061845 /nfs/dbraw/zinc/06/18/45/137061845.db2.gz QEBAWJAIEZVOKW-GZMMTYOYSA-N 2 1 260.259 0.774 10 0 CCAEMP Cc1ccc2ncc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)n2c1 ZINC000263268776 137062303 /nfs/dbraw/zinc/06/23/03/137062303.db2.gz RWGDRMDRWQYONM-WCQYABFASA-N 2 1 260.341 0.313 10 0 CCAEMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000263320033 137063716 /nfs/dbraw/zinc/06/37/16/137063716.db2.gz RDHRRDJWHLEGKL-OAHLLOKOSA-N 2 1 273.380 0.987 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000061380676 348652654 /nfs/dbraw/zinc/65/26/54/348652654.db2.gz BQWYDOWLGWDMEN-LBPRGKRZSA-N 2 1 257.378 0.071 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH+](CC)C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000153081813 350552447 /nfs/dbraw/zinc/55/24/47/350552447.db2.gz PAGIHLHUWHFRPW-ZIAGYGMSSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[N@H+](CC)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000153081813 350552452 /nfs/dbraw/zinc/55/24/52/350552452.db2.gz PAGIHLHUWHFRPW-ZIAGYGMSSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[N@@H+](CC)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000153081813 350552456 /nfs/dbraw/zinc/55/24/56/350552456.db2.gz PAGIHLHUWHFRPW-ZIAGYGMSSA-N 2 1 297.443 0.774 10 0 CCAEMP CCOCC[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@H]1C ZINC000168045202 350819455 /nfs/dbraw/zinc/81/94/55/350819455.db2.gz SUYKPIPWHHYGDT-CQSZACIVSA-N 2 1 297.443 0.945 10 0 CCAEMP CCOCC[N@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@H]1C ZINC000168045202 350819458 /nfs/dbraw/zinc/81/94/58/350819458.db2.gz SUYKPIPWHHYGDT-CQSZACIVSA-N 2 1 297.443 0.945 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171906786 350942138 /nfs/dbraw/zinc/94/21/38/350942138.db2.gz ICJGBDQFUFNZQJ-CYBMUJFWSA-N 2 1 284.404 0.054 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171906786 350942139 /nfs/dbraw/zinc/94/21/39/350942139.db2.gz ICJGBDQFUFNZQJ-CYBMUJFWSA-N 2 1 284.404 0.054 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171906786 350942140 /nfs/dbraw/zinc/94/21/40/350942140.db2.gz ICJGBDQFUFNZQJ-CYBMUJFWSA-N 2 1 284.404 0.054 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000181375321 351316467 /nfs/dbraw/zinc/31/64/67/351316467.db2.gz KCTGHEQAHJKBDW-UBHSHLNASA-N 2 1 291.399 0.411 10 0 CCAEMP O=S(=O)(CC[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000192939639 351804746 /nfs/dbraw/zinc/80/47/46/351804746.db2.gz RNGACLXMJSOFTJ-UHFFFAOYSA-N 2 1 287.429 0.192 10 0 CCAEMP COC[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000247475563 352415949 /nfs/dbraw/zinc/41/59/49/352415949.db2.gz JQQRIQHJOARJGF-CVEARBPZSA-N 2 1 299.459 0.748 10 0 CCAEMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247211321 352404125 /nfs/dbraw/zinc/40/41/25/352404125.db2.gz VFKQOPSHYFXAOT-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247211321 352404128 /nfs/dbraw/zinc/40/41/28/352404128.db2.gz VFKQOPSHYFXAOT-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247211321 352404129 /nfs/dbraw/zinc/40/41/29/352404129.db2.gz VFKQOPSHYFXAOT-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CC[NH+](C)C1 ZINC000311127639 354196958 /nfs/dbraw/zinc/19/69/58/354196958.db2.gz IMZQZOLZNUJDFY-UONOGXRCSA-N 2 1 257.422 0.571 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000311127639 354196961 /nfs/dbraw/zinc/19/69/61/354196961.db2.gz IMZQZOLZNUJDFY-UONOGXRCSA-N 2 1 257.422 0.571 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000311127639 354196964 /nfs/dbraw/zinc/19/69/64/354196964.db2.gz IMZQZOLZNUJDFY-UONOGXRCSA-N 2 1 257.422 0.571 10 0 CCAEMP C[NH+](C)CC(=O)N1CCO[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000328654385 354246405 /nfs/dbraw/zinc/24/64/05/354246405.db2.gz XIWMMPYFDBJDSF-CYBMUJFWSA-N 2 1 269.389 0.117 10 0 CCAEMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824578 354800520 /nfs/dbraw/zinc/80/05/20/354800520.db2.gz RPTYFSZDWUPMKN-XUXIUFHCSA-N 2 1 298.431 0.081 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)[C@H]2C1 ZINC000333817393 283067754 /nfs/dbraw/zinc/06/77/54/283067754.db2.gz KIFBYMJMGVFQRF-AGIUHOORSA-N 2 1 266.389 0.459 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000381416191 357709074 /nfs/dbraw/zinc/70/90/74/357709074.db2.gz RGOIQQUJMIPHNP-YPMHNXCESA-N 2 1 269.389 0.164 10 0 CCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000178784134 283398578 /nfs/dbraw/zinc/39/85/78/283398578.db2.gz CGRGQTMHSPBCSY-OAHLLOKOSA-N 2 1 285.391 0.789 10 0 CCAEMP C[C@H]1C[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000631844606 370710120 /nfs/dbraw/zinc/71/01/20/370710120.db2.gz KAFSXNRSUCYCQR-NWDGAFQWSA-N 2 1 287.363 0.809 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](CC[NH3+])CC1 ZINC000616666542 365418654 /nfs/dbraw/zinc/41/86/54/365418654.db2.gz XSWAPRSTJQVBAD-LBPRGKRZSA-N 2 1 287.404 0.951 10 0 CCAEMP COc1c(C[N@H+](C)CCOCC[NH3+])c(C)nn1C ZINC000629662306 369751047 /nfs/dbraw/zinc/75/10/47/369751047.db2.gz HDEPWOFFIURCPC-UHFFFAOYSA-N 2 1 256.350 0.144 10 0 CCAEMP COc1c(C[N@@H+](C)CCOCC[NH3+])c(C)nn1C ZINC000629662306 369751051 /nfs/dbraw/zinc/75/10/51/369751051.db2.gz HDEPWOFFIURCPC-UHFFFAOYSA-N 2 1 256.350 0.144 10 0 CCAEMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766860 372213703 /nfs/dbraw/zinc/21/37/03/372213703.db2.gz YNAHUXVDGQXBEE-HUBLWGQQSA-N 2 1 263.385 0.729 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333366378 205258117 /nfs/dbraw/zinc/25/81/17/205258117.db2.gz LVCYTKOLOGNHCW-MDZLAQPJSA-N 2 1 266.389 0.378 10 0 CCAEMP C[N@@H+](CCNC(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000333405021 205292424 /nfs/dbraw/zinc/29/24/24/205292424.db2.gz QMFJNRONZPJUOS-NSHDSACASA-N 2 1 254.378 0.522 10 0 CCAEMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333448659 205328613 /nfs/dbraw/zinc/32/86/13/205328613.db2.gz XEPZLRFOMHCFCD-OLZOCXBDSA-N 2 1 284.404 0.148 10 0 CCAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262299295 190052186 /nfs/dbraw/zinc/05/21/86/190052186.db2.gz ADIFQMBHPBBBGI-CABCVRRESA-N 2 1 291.395 0.477 10 0 CCAEMP C[NH2+][C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1cnn(C)c1 ZINC000262318509 190052811 /nfs/dbraw/zinc/05/28/11/190052811.db2.gz DVNGHHVPFGCENM-XBFCOCLRSA-N 2 1 291.399 0.376 10 0 CCAEMP C[NH2+][C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1cnn(C)c1 ZINC000262318509 190052812 /nfs/dbraw/zinc/05/28/12/190052812.db2.gz DVNGHHVPFGCENM-XBFCOCLRSA-N 2 1 291.399 0.376 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000246401730 285018461 /nfs/dbraw/zinc/01/84/61/285018461.db2.gz UBQKFNTYNHJVAD-MBNYWOFBSA-N 2 1 280.416 0.957 10 0 CCAEMP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188981257 388946657 /nfs/dbraw/zinc/94/66/57/388946657.db2.gz BQECVBBUAPDTPJ-RWMBFGLXSA-N 2 1 287.379 0.040 10 0 CCAEMP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000245617386 389214178 /nfs/dbraw/zinc/21/41/78/389214178.db2.gz MXJWJZLZIDAFTF-LSDHHAIUSA-N 2 1 285.432 0.094 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(CCCn2ccnc2)C[C@@H]1C ZINC000245842990 389219555 /nfs/dbraw/zinc/21/95/55/389219555.db2.gz CZALNTSNMBGUIA-KBPBESRZSA-N 2 1 266.389 0.660 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(CCCn2ccnc2)C[C@@H]1C ZINC000245842990 389219557 /nfs/dbraw/zinc/21/95/57/389219557.db2.gz CZALNTSNMBGUIA-KBPBESRZSA-N 2 1 266.389 0.660 10 0 CCAEMP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000334921718 389508634 /nfs/dbraw/zinc/50/86/34/389508634.db2.gz OMFKNNOVJMKYEC-WDEREUQCSA-N 2 1 252.362 0.226 10 0 CCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335377986 389551774 /nfs/dbraw/zinc/55/17/74/389551774.db2.gz MPINNVGLHYGCDA-NEPJUHHUSA-N 2 1 252.362 0.226 10 0 CCAEMP CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1C[NH2+]C1 ZINC000334580437 389497720 /nfs/dbraw/zinc/49/77/20/389497720.db2.gz XWKMWTRBXCCSHV-YOGCLGLASA-N 2 1 266.389 0.615 10 0 CCAEMP CC[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000178775046 389622164 /nfs/dbraw/zinc/62/21/64/389622164.db2.gz IFCAZEIARMIWAO-NEPJUHHUSA-N 2 1 271.405 0.417 10 0 CCAEMP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000179245301 389648378 /nfs/dbraw/zinc/64/83/78/389648378.db2.gz MXJWJZLZIDAFTF-CABCVRRESA-N 2 1 285.432 0.094 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181409730 389685258 /nfs/dbraw/zinc/68/52/58/389685258.db2.gz RHLUWGOYKIXMQA-NWDGAFQWSA-N 2 1 265.361 0.020 10 0 CCAEMP CCc1nnc(C[NH+]2CCC(CC[NH3+])CC2)n1C ZINC000583636195 390302267 /nfs/dbraw/zinc/30/22/67/390302267.db2.gz LYNADCBAGWUEBM-UHFFFAOYSA-N 2 1 251.378 0.938 10 0 CCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304853 390563609 /nfs/dbraw/zinc/56/36/09/390563609.db2.gz KEKWCPMEPNOAKY-CHWSQXEVSA-N 2 1 269.389 0.069 10 0 CCAEMP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649308101 390568102 /nfs/dbraw/zinc/56/81/02/390568102.db2.gz KGBMVIRNEYZNCP-BXUZGUMPSA-N 2 1 267.373 0.108 10 0 CCAEMP CCC[N@@H+](CC)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649343935 390597913 /nfs/dbraw/zinc/59/79/13/390597913.db2.gz HMHBKKQCTIERIE-CQSZACIVSA-N 2 1 271.405 0.603 10 0 CCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000572401113 390781385 /nfs/dbraw/zinc/78/13/85/390781385.db2.gz TWKYXMIIAPCSGU-RWMBFGLXSA-N 2 1 251.374 0.539 10 0 CCAEMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000262075759 143935179 /nfs/dbraw/zinc/93/51/79/143935179.db2.gz DGDRXSCHONECGS-NEPJUHHUSA-N 2 1 252.362 0.308 10 0 CCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258328306 397440495 /nfs/dbraw/zinc/44/04/95/397440495.db2.gz DNCCWCYHWFRURD-NEPJUHHUSA-N 2 1 254.378 0.522 10 0 CCAEMP CC(C)[C@@H](CNC(=O)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000040770608 397394032 /nfs/dbraw/zinc/39/40/32/397394032.db2.gz PUCVAIRRYUEMLE-QWHCGFSZSA-N 2 1 270.421 0.112 10 0 CCAEMP C[NH2+]CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000370718065 144313615 /nfs/dbraw/zinc/31/36/15/144313615.db2.gz ZSHNHBJHGVJKFE-NHAGDIPZSA-N 2 1 259.353 0.452 10 0 CCAEMP [NH3+][C@H](Cc1ccccc1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392919316 397513509 /nfs/dbraw/zinc/51/35/09/397513509.db2.gz NANOUYUBXPHFCM-OAHLLOKOSA-N 2 1 273.380 0.935 10 0 CCAEMP [NH3+][C@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392919316 397513512 /nfs/dbraw/zinc/51/35/12/397513512.db2.gz NANOUYUBXPHFCM-OAHLLOKOSA-N 2 1 273.380 0.935 10 0 CCAEMP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000333527326 286869327 /nfs/dbraw/zinc/86/93/27/286869327.db2.gz HKPKLINQEHQDPB-UONOGXRCSA-N 2 1 298.431 0.396 10 0 CCAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C ZINC000261721030 287092847 /nfs/dbraw/zinc/09/28/47/287092847.db2.gz KCYLVWHVRXVFHY-REWJHTLYSA-N 2 1 283.416 0.275 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C ZINC000261721030 287092848 /nfs/dbraw/zinc/09/28/48/287092848.db2.gz KCYLVWHVRXVFHY-REWJHTLYSA-N 2 1 283.416 0.275 10 0 CCAEMP COC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000662873578 414857623 /nfs/dbraw/zinc/85/76/23/414857623.db2.gz ZWMQAAOUNYQOEY-FLTXBFBQSA-N 2 1 281.400 0.496 10 0 CCAEMP COCC[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H](C)C1CC1 ZINC000044415381 175172737 /nfs/dbraw/zinc/17/27/37/175172737.db2.gz ZIQTYLBVWNWXKR-GFCCVEGCSA-N 2 1 269.389 0.165 10 0 CCAEMP CCN1CCN(C[C@H](CC[NH3+])[NH+]2CCCC2)CC1 ZINC000076658668 177047611 /nfs/dbraw/zinc/04/76/11/177047611.db2.gz NMGMWNIZKVYKOV-AWEZNQCLSA-N 2 1 254.422 0.437 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000223400727 544824746 /nfs/dbraw/zinc/82/47/46/544824746.db2.gz LWGCLSNRRKDQFX-JHJVBQTASA-N 2 1 251.374 0.811 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000262098265 544939127 /nfs/dbraw/zinc/93/91/27/544939127.db2.gz IIBSIYGIGXBFNQ-SMDDNHRTSA-N 2 1 290.342 0.886 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000262117638 544941203 /nfs/dbraw/zinc/94/12/03/544941203.db2.gz LLNVHELHCQLQFG-CMPLNLGQSA-N 2 1 272.295 0.958 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000262151618 544941608 /nfs/dbraw/zinc/94/16/08/544941608.db2.gz RGTRICAFURJSGB-DOMZBBRYSA-N 2 1 290.342 0.681 10 0 CCAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ncnn3C2)[C@@H](C)C1 ZINC000246303479 276231051 /nfs/dbraw/zinc/23/10/51/276231051.db2.gz DFYHKLFYAICGIS-XQQFMLRXSA-N 2 1 263.389 0.913 10 0 CCAEMP CC[C@@H](C(N)=O)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408080926 280090339 /nfs/dbraw/zinc/09/03/39/280090339.db2.gz LRVUNUAMZFPTLQ-JSGCOSHPSA-N 2 1 282.432 0.351 10 0 CCAEMP CC[C@@H](C(N)=O)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408080926 280090344 /nfs/dbraw/zinc/09/03/44/280090344.db2.gz LRVUNUAMZFPTLQ-JSGCOSHPSA-N 2 1 282.432 0.351 10 0 CCAEMP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000335705796 289325366 /nfs/dbraw/zinc/32/53/66/289325366.db2.gz OCJXPPUFSBOAQO-QWHCGFSZSA-N 2 1 268.405 0.816 10 0 CCAEMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)C[C@H]2CCC[NH2+]2)cn1 ZINC000181410810 294300094 /nfs/dbraw/zinc/30/00/94/294300094.db2.gz NHWAPJMKDWFPAB-CHWSQXEVSA-N 2 1 277.372 0.035 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000394388073 545088144 /nfs/dbraw/zinc/08/81/44/545088144.db2.gz XGTRGXLSOINUNE-MJBXVCDLSA-N 2 1 280.416 0.010 10 0 CCAEMP CC[NH2+]CCS(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049646578 519925013 /nfs/dbraw/zinc/92/50/13/519925013.db2.gz FWLXPTSKMLDZNL-NWDGAFQWSA-N 2 1 275.418 0.142 10 0 CCAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000062741107 520307783 /nfs/dbraw/zinc/30/77/83/520307783.db2.gz GCNBDYQLJYBWGT-VXGBXAGGSA-N 2 1 257.378 0.341 10 0 CCAEMP CCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000051791503 519856522 /nfs/dbraw/zinc/85/65/22/519856522.db2.gz LVCTXMRICKVAHW-QWHCGFSZSA-N 2 1 253.390 0.929 10 0 CCAEMP CCC[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000061712117 519911318 /nfs/dbraw/zinc/91/13/18/519911318.db2.gz TXMYEHCSBSQEMW-CYBMUJFWSA-N 2 1 256.390 0.849 10 0 CCAEMP CC[NH2+]C[C@@H](C)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942949 519932603 /nfs/dbraw/zinc/93/26/03/519932603.db2.gz AEOQOZICBWWMBI-CHWSQXEVSA-N 2 1 253.390 0.929 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055124648 521668679 /nfs/dbraw/zinc/66/86/79/521668679.db2.gz LAGFGCPVGYSIIC-AGIUHOORSA-N 2 1 253.390 0.914 10 0 CCAEMP C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050945291 523978751 /nfs/dbraw/zinc/97/87/51/523978751.db2.gz SNKTVGRDSWPFMB-OLZOCXBDSA-N 2 1 253.390 0.977 10 0 CCAEMP [NH3+]CCCN1CCC[N@@H+](CCn2cccn2)CC1 ZINC000049313887 527180054 /nfs/dbraw/zinc/18/00/54/527180054.db2.gz LUNPUROZYJASBD-UHFFFAOYSA-N 2 1 251.378 0.240 10 0 CCAEMP NC(=O)C[N@@H+](Cc1cccnc1C[NH3+])C1CCCC1 ZINC000061656780 527265345 /nfs/dbraw/zinc/26/53/45/527265345.db2.gz LRNQWLLSSZJMQS-UHFFFAOYSA-N 2 1 262.357 0.770 10 0 CCAEMP NC(=O)C[N@H+](Cc1cccnc1C[NH3+])C1CCCC1 ZINC000061656780 527265337 /nfs/dbraw/zinc/26/53/37/527265337.db2.gz LRNQWLLSSZJMQS-UHFFFAOYSA-N 2 1 262.357 0.770 10 0 CCAEMP [NH3+]C[C@]1([C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000669377315 545206125 /nfs/dbraw/zinc/20/61/25/545206125.db2.gz MGLYWXSENOHVKE-HZPDHXFCSA-N 2 1 276.380 0.989 10 0 CCAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CC[NH+](C)CC1 ZINC000399000301 581207104 /nfs/dbraw/zinc/20/71/04/581207104.db2.gz RXEVCGIQVGKCAQ-ZDUSSCGKSA-N 3 1 269.433 0.763 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000178848305 631577805 /nfs/dbraw/zinc/57/78/05/631577805.db2.gz UXLBYFAAMCDAIC-JSGCOSHPSA-N 2 1 280.347 0.884 10 0 CCAEMP CC[NH+]1CCN(c2nc(COC)c(C[NH3+])s2)CC1 ZINC000082455966 178033730 /nfs/dbraw/zinc/03/37/30/178033730.db2.gz PBHSMDDOQZJVCG-UHFFFAOYSA-N 2 1 270.402 0.890 10 0 CCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1COC2(CCCC2)O1 ZINC000038031472 282346495 /nfs/dbraw/zinc/34/64/95/282346495.db2.gz PJTHSCBZIQYYIP-CYBMUJFWSA-N 2 1 297.399 0.036 10 0 CCAEMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1COC2(CCCC2)O1 ZINC000038031472 282346498 /nfs/dbraw/zinc/34/64/98/282346498.db2.gz PJTHSCBZIQYYIP-CYBMUJFWSA-N 2 1 297.399 0.036 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692745 137015968 /nfs/dbraw/zinc/01/59/68/137015968.db2.gz KSMJVNKPHCDMNQ-ZIAGYGMSSA-N 2 1 296.459 0.598 10 0 CCAEMP CC(C)[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)[NH+](C)C ZINC000263241453 137061397 /nfs/dbraw/zinc/06/13/97/137061397.db2.gz ORDXYQPNWXNEBH-MNOVXSKESA-N 2 1 267.377 0.904 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000263239902 137061424 /nfs/dbraw/zinc/06/14/24/137061424.db2.gz OMRBIVZSGDOUFG-NEPJUHHUSA-N 2 1 264.325 0.128 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2cccs2)n1 ZINC000263251166 137061654 /nfs/dbraw/zinc/06/16/54/137061654.db2.gz PZGGSMGYYPCMJC-JQWIXIFHSA-N 2 1 292.408 0.819 10 0 CCAEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2C[NH2+]C2)cn1 ZINC000263266642 137062100 /nfs/dbraw/zinc/06/21/00/137062100.db2.gz HNQURPFZVZQICL-UHFFFAOYSA-N 2 1 271.324 0.411 10 0 CCAEMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263312110 137063937 /nfs/dbraw/zinc/06/39/37/137063937.db2.gz YXKVSRWTNSKMQF-DZGCQCFKSA-N 2 1 289.379 0.266 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000263205707 137060512 /nfs/dbraw/zinc/06/05/12/137060512.db2.gz JQYQQKMKUWVRQF-SMDDNHRTSA-N 2 1 273.340 0.142 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290345 348548101 /nfs/dbraw/zinc/54/81/01/348548101.db2.gz VGLGBLYDXFNCBR-QWHCGFSZSA-N 2 1 253.390 0.977 10 0 CCAEMP C[NH+]1CCN([C@H](CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000062268815 348666719 /nfs/dbraw/zinc/66/67/19/348666719.db2.gz RAAFFHQOZBQNGD-QGZVFWFLSA-N 2 1 288.439 0.880 10 0 CCAEMP CC(C)[NH+](CCNC(=O)[C@H]1COCC[NH2+]1)C(C)C ZINC000088357516 349360838 /nfs/dbraw/zinc/36/08/38/349360838.db2.gz RXPQQYKDMQCAIX-GFCCVEGCSA-N 2 1 257.378 0.210 10 0 CCAEMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000126014565 350135512 /nfs/dbraw/zinc/13/55/12/350135512.db2.gz GFZYTBJXFUEHPF-AWEZNQCLSA-N 2 1 285.432 0.096 10 0 CCAEMP CC[N@H+]1CCO[C@H](CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000126014565 350135518 /nfs/dbraw/zinc/13/55/18/350135518.db2.gz GFZYTBJXFUEHPF-AWEZNQCLSA-N 2 1 285.432 0.096 10 0 CCAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129688890 350220622 /nfs/dbraw/zinc/22/06/22/350220622.db2.gz UBLJCOCOLYKLPI-AWEZNQCLSA-N 2 1 296.459 0.517 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nccc(N)n2)CC1 ZINC000135051262 350383303 /nfs/dbraw/zinc/38/33/03/350383303.db2.gz WTHPMIFMGNBYSB-LBPRGKRZSA-N 2 1 293.415 0.583 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nccc(N)n2)CC1 ZINC000135051262 350383304 /nfs/dbraw/zinc/38/33/04/350383304.db2.gz WTHPMIFMGNBYSB-LBPRGKRZSA-N 2 1 293.415 0.583 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158098501 350653325 /nfs/dbraw/zinc/65/33/25/350653325.db2.gz JHPDTOHOHHEOAR-QNWHQSFQSA-N 2 1 253.390 0.973 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174288767 351078101 /nfs/dbraw/zinc/07/81/01/351078101.db2.gz BDZAQLCLAJCRJV-QWHCGFSZSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174288767 351078105 /nfs/dbraw/zinc/07/81/05/351078105.db2.gz BDZAQLCLAJCRJV-QWHCGFSZSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174288767 351078109 /nfs/dbraw/zinc/07/81/09/351078109.db2.gz BDZAQLCLAJCRJV-QWHCGFSZSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174288767 351078111 /nfs/dbraw/zinc/07/81/11/351078111.db2.gz BDZAQLCLAJCRJV-QWHCGFSZSA-N 2 1 271.405 0.240 10 0 CCAEMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000178834407 351248789 /nfs/dbraw/zinc/24/87/89/351248789.db2.gz CRRCSGYOGNPDQZ-STQMWFEESA-N 2 1 269.389 0.165 10 0 CCAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000178834407 351248790 /nfs/dbraw/zinc/24/87/90/351248790.db2.gz CRRCSGYOGNPDQZ-STQMWFEESA-N 2 1 269.389 0.165 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186539787 351502077 /nfs/dbraw/zinc/50/20/77/351502077.db2.gz QXBGTRVPMMLTQG-JSGCOSHPSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186539787 351502081 /nfs/dbraw/zinc/50/20/81/351502081.db2.gz QXBGTRVPMMLTQG-JSGCOSHPSA-N 2 1 281.400 0.450 10 0 CCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)C3(C[NH3+])CCOCC3)CC[C@H]21 ZINC000227331311 352044296 /nfs/dbraw/zinc/04/42/96/352044296.db2.gz XUYHMXGLZVSZFY-UONOGXRCSA-N 2 1 295.427 0.685 10 0 CCAEMP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237536472 352269747 /nfs/dbraw/zinc/26/97/47/352269747.db2.gz DQDZDJRYMDQNEL-KGLIPLIRSA-N 2 1 283.416 0.603 10 0 CCAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237536472 352269752 /nfs/dbraw/zinc/26/97/52/352269752.db2.gz DQDZDJRYMDQNEL-KGLIPLIRSA-N 2 1 283.416 0.603 10 0 CCAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245424202 352321270 /nfs/dbraw/zinc/32/12/70/352321270.db2.gz CDCQXUKYSNNMPW-QWHCGFSZSA-N 2 1 269.389 0.260 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245424202 352321275 /nfs/dbraw/zinc/32/12/75/352321275.db2.gz CDCQXUKYSNNMPW-QWHCGFSZSA-N 2 1 269.389 0.260 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245424202 352321279 /nfs/dbraw/zinc/32/12/79/352321279.db2.gz CDCQXUKYSNNMPW-QWHCGFSZSA-N 2 1 269.389 0.260 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245424202 352321283 /nfs/dbraw/zinc/32/12/83/352321283.db2.gz CDCQXUKYSNNMPW-QWHCGFSZSA-N 2 1 269.389 0.260 10 0 CCAEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CN3CCCC3=O)CC[C@H]21 ZINC000248163794 352432897 /nfs/dbraw/zinc/43/28/97/352432897.db2.gz SPCUJQYHEMZSPM-QLFBSQMISA-N 2 1 295.427 0.386 10 0 CCAEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)CC[C@H]21 ZINC000248163794 352432899 /nfs/dbraw/zinc/43/28/99/352432899.db2.gz SPCUJQYHEMZSPM-QLFBSQMISA-N 2 1 295.427 0.386 10 0 CCAEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)CC[C@H]21 ZINC000248163794 352432905 /nfs/dbraw/zinc/43/29/05/352432905.db2.gz SPCUJQYHEMZSPM-QLFBSQMISA-N 2 1 295.427 0.386 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000252199307 352513450 /nfs/dbraw/zinc/51/34/50/352513450.db2.gz VZPWOWWVKDABGC-JHJVBQTASA-N 2 1 253.390 0.975 10 0 CCAEMP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000300257732 354060834 /nfs/dbraw/zinc/06/08/34/354060834.db2.gz GGPKRIZGZRTQRO-IHRRRGAJSA-N 2 1 274.405 0.282 10 0 CCAEMP COC[C@H](C)OC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000300257732 354060837 /nfs/dbraw/zinc/06/08/37/354060837.db2.gz GGPKRIZGZRTQRO-IHRRRGAJSA-N 2 1 274.405 0.282 10 0 CCAEMP COC[C@H](C)OC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000300257732 354060840 /nfs/dbraw/zinc/06/08/40/354060840.db2.gz GGPKRIZGZRTQRO-IHRRRGAJSA-N 2 1 274.405 0.282 10 0 CCAEMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333891038 354811827 /nfs/dbraw/zinc/81/18/27/354811827.db2.gz YFJLUDJBWKNIQH-ZDUSSCGKSA-N 2 1 266.389 0.690 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000333625399 283066358 /nfs/dbraw/zinc/06/63/58/283066358.db2.gz FTLNDEMBGBRDRH-NEPJUHHUSA-N 2 1 266.389 0.603 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(C)C1=O ZINC000178336267 189108176 /nfs/dbraw/zinc/10/81/76/189108176.db2.gz SWCCYMIIMUBNBU-CHWSQXEVSA-N 2 1 262.357 0.887 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC000178336267 189108177 /nfs/dbraw/zinc/10/81/77/189108177.db2.gz SWCCYMIIMUBNBU-CHWSQXEVSA-N 2 1 262.357 0.887 10 0 CCAEMP C[C@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1C[NH3+] ZINC000631844167 370710259 /nfs/dbraw/zinc/71/02/59/370710259.db2.gz VNCWXOURVLAHLW-NWDGAFQWSA-N 2 1 272.352 0.721 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771618 372222133 /nfs/dbraw/zinc/22/21/33/372222133.db2.gz BHOQUHWRVQSPDM-GUTXKFCHSA-N 2 1 265.401 0.977 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261628745 190042131 /nfs/dbraw/zinc/04/21/31/190042131.db2.gz CTBDLFJVWLHLKF-UHTWSYAYSA-N 2 1 280.372 0.450 10 0 CCAEMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747044 295306247 /nfs/dbraw/zinc/30/62/47/295306247.db2.gz ORNJNBGKNSDISV-QWHCGFSZSA-N 2 1 251.374 0.811 10 0 CCAEMP CC[C@@H](C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1)[NH+](C)C ZINC000246960687 285038686 /nfs/dbraw/zinc/03/86/86/285038686.db2.gz IVOQRFVKGZWTSK-KBPBESRZSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1)[NH+](C)C ZINC000246960687 285038690 /nfs/dbraw/zinc/03/86/90/285038690.db2.gz IVOQRFVKGZWTSK-KBPBESRZSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000335285718 208104556 /nfs/dbraw/zinc/10/45/56/208104556.db2.gz RTXIUCTZSKTIBZ-RYUDHWBXSA-N 2 1 254.378 0.474 10 0 CCAEMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392933689 285206646 /nfs/dbraw/zinc/20/66/46/285206646.db2.gz LNEZQJBPLXMMSM-RVMXOQNASA-N 2 1 251.374 0.870 10 0 CCAEMP O=C(C[NH2+]C[C@H]1CCC[NH2+]C1)NCC(F)(F)F ZINC000393682610 285211100 /nfs/dbraw/zinc/21/11/00/285211100.db2.gz LADJAHNVPMLJOS-QMMMGPOBSA-N 2 1 253.268 0.254 10 0 CCAEMP COC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151350184 285237970 /nfs/dbraw/zinc/23/79/70/285237970.db2.gz HFTHFAARUYHEQW-UONOGXRCSA-N 2 1 256.390 0.848 10 0 CCAEMP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H]1CCC[N@@H+](C)C1 ZINC000188919355 388945171 /nfs/dbraw/zinc/94/51/71/388945171.db2.gz SLRBDEYHXYTRNJ-JTQLQIEISA-N 2 1 277.372 0.222 10 0 CCAEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000336791731 389020200 /nfs/dbraw/zinc/02/02/00/389020200.db2.gz OSSUTNALBVGFOS-MJBXVCDLSA-N 2 1 256.390 0.990 10 0 CCAEMP CC(C)N1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000193638736 389075281 /nfs/dbraw/zinc/07/52/81/389075281.db2.gz NLLDICXHHHDAMP-MJBXVCDLSA-N 2 1 265.401 0.879 10 0 CCAEMP CC(C)N1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1=O ZINC000193638736 389075283 /nfs/dbraw/zinc/07/52/83/389075283.db2.gz NLLDICXHHHDAMP-MJBXVCDLSA-N 2 1 265.401 0.879 10 0 CCAEMP CC(C)N1CCC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1=O ZINC000193638736 389075286 /nfs/dbraw/zinc/07/52/86/389075286.db2.gz NLLDICXHHHDAMP-MJBXVCDLSA-N 2 1 265.401 0.879 10 0 CCAEMP COC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309682860 389093919 /nfs/dbraw/zinc/09/39/19/389093919.db2.gz BFOFOLXIYWKTFJ-CABCVRRESA-N 2 1 291.395 0.598 10 0 CCAEMP CO[C@]1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCOC1 ZINC000312062637 389107095 /nfs/dbraw/zinc/10/70/95/389107095.db2.gz JBUSTLILYURJRZ-KBPBESRZSA-N 2 1 272.389 0.228 10 0 CCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000335284255 389544327 /nfs/dbraw/zinc/54/43/27/389544327.db2.gz FBUOHTHQUKYIQC-CMPLNLGQSA-N 2 1 252.362 0.084 10 0 CCAEMP COC[C@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649328098 390585827 /nfs/dbraw/zinc/58/58/27/390585827.db2.gz XJMMOFMIADJPIW-OCCSQVGLSA-N 2 1 267.373 0.062 10 0 CCAEMP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000649327944 390585903 /nfs/dbraw/zinc/58/59/03/390585903.db2.gz RACPQVUNXXUSJX-WDEREUQCSA-N 2 1 273.327 0.538 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649328385 390586561 /nfs/dbraw/zinc/58/65/61/390586561.db2.gz UYPIRBNIXNSZGH-UKRRQHHQSA-N 2 1 283.416 0.698 10 0 CCAEMP COC[C@]1(C(=O)N2CC[NH+](CC(C)C)CC2)CCC[NH2+]1 ZINC000649278784 390545562 /nfs/dbraw/zinc/54/55/62/390545562.db2.gz BIFCQFLQDMLBSZ-HNNXBMFYSA-N 2 1 283.416 0.555 10 0 CCAEMP COC[C@]1(C(=O)NCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000649318466 390576202 /nfs/dbraw/zinc/57/62/02/390576202.db2.gz MWGJUUCBQTYXLB-ZDUSSCGKSA-N 2 1 257.378 0.211 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578365161 390880429 /nfs/dbraw/zinc/88/04/29/390880429.db2.gz YIXFSTLARDNONW-FVCCEPFGSA-N 2 1 251.374 0.809 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@H](C)C2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000262467688 287148862 /nfs/dbraw/zinc/14/88/62/287148862.db2.gz XZDUDORNEWUIAI-MBNYWOFBSA-N 2 1 283.416 0.146 10 0 CCAEMP [NH3+]C[C@@H](c1cccs1)N1CC[NH+](CCO)CC1 ZINC000020225307 171087320 /nfs/dbraw/zinc/08/73/20/171087320.db2.gz GDMKFTQEWXFTSE-NSHDSACASA-N 2 1 255.387 0.358 10 0 CCAEMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccco1 ZINC000040430436 174259861 /nfs/dbraw/zinc/25/98/61/174259861.db2.gz DIKKJIPIMWMJDW-MNOVXSKESA-N 2 1 251.330 0.751 10 0 CCAEMP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000662260393 414701236 /nfs/dbraw/zinc/70/12/36/414701236.db2.gz MFJZJCVCVGUSCE-KBPBESRZSA-N 2 1 265.401 0.678 10 0 CCAEMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000662260393 414701237 /nfs/dbraw/zinc/70/12/37/414701237.db2.gz MFJZJCVCVGUSCE-KBPBESRZSA-N 2 1 265.401 0.678 10 0 CCAEMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCN2CCCC[C@H]2C1 ZINC000662260393 414701238 /nfs/dbraw/zinc/70/12/38/414701238.db2.gz MFJZJCVCVGUSCE-KBPBESRZSA-N 2 1 265.401 0.678 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C1(C[NH3+])CCOCC1 ZINC000071189085 176064800 /nfs/dbraw/zinc/06/48/00/176064800.db2.gz IDWIOQYQBSNPDQ-GFCCVEGCSA-N 2 1 269.389 0.152 10 0 CCAEMP CSCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189572 176065801 /nfs/dbraw/zinc/06/58/01/176065801.db2.gz GEDDFIIMIUYNJU-MNOVXSKESA-N 2 1 259.419 0.477 10 0 CCAEMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH3+])N1CCOCC1 ZINC000076678761 177056757 /nfs/dbraw/zinc/05/67/57/177056757.db2.gz BYWVAKYRSBUGPO-OAHLLOKOSA-N 2 1 263.385 0.778 10 0 CCAEMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])N1CCOCC1 ZINC000076678761 177056758 /nfs/dbraw/zinc/05/67/58/177056758.db2.gz BYWVAKYRSBUGPO-OAHLLOKOSA-N 2 1 263.385 0.778 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000262151621 544942460 /nfs/dbraw/zinc/94/24/60/544942460.db2.gz RGTRICAFURJSGB-IUODEOHRSA-N 2 1 290.342 0.681 10 0 CCAEMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[NH2+][C@H]2C)[N@@H+](C)C1 ZINC000333881906 545044043 /nfs/dbraw/zinc/04/40/43/545044043.db2.gz WIFNJDWYQJEZPB-XUXIUFHCSA-N 2 1 298.431 0.487 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647037 276379178 /nfs/dbraw/zinc/37/91/78/276379178.db2.gz LNVMZGRQPJWPQS-FRRDWIJNSA-N 2 1 253.390 0.975 10 0 CCAEMP COCCOCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175648216 277231228 /nfs/dbraw/zinc/23/12/28/277231228.db2.gz AEBDDKLHFZQDOT-CQSZACIVSA-N 2 1 288.432 0.674 10 0 CCAEMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333481137 289037710 /nfs/dbraw/zinc/03/77/10/289037710.db2.gz CCLKWYZRJASBFW-MGPQQGTHSA-N 2 1 298.431 0.225 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000389644755 545086850 /nfs/dbraw/zinc/08/68/50/545086850.db2.gz MDNFLYHRSNXGGB-AGIUHOORSA-N 2 1 253.390 0.975 10 0 CCAEMP CC[NH2+][C@@H](CC[N@@H+]1CCC[C@H](OCC)C1)C(N)=O ZINC000062527227 520088633 /nfs/dbraw/zinc/08/86/33/520088633.db2.gz OAFBKGQAWBZHGA-RYUDHWBXSA-N 2 1 257.378 0.341 10 0 CCAEMP CC[NH2+][C@@H](CC[N@H+]1CCC[C@H](OCC)C1)C(N)=O ZINC000062527227 520088639 /nfs/dbraw/zinc/08/86/39/520088639.db2.gz OAFBKGQAWBZHGA-RYUDHWBXSA-N 2 1 257.378 0.341 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051091223 521717103 /nfs/dbraw/zinc/71/71/03/521717103.db2.gz CNYZISLRXBHDHX-SNVBAGLBSA-N 2 1 263.345 0.439 10 0 CCAEMP COCC[N@@H+](C)CCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000061380875 523584150 /nfs/dbraw/zinc/58/41/50/523584150.db2.gz YISXKELDRFAOIG-AGUYFDCRSA-N 2 1 255.406 0.909 10 0 CCAEMP COCC[N@@H+](CCn1cc(C[NH3+])nn1)[C@@H](C)C1CC1 ZINC000052545389 523728792 /nfs/dbraw/zinc/72/87/92/523728792.db2.gz JRDQIKUZRKIWMD-NSHDSACASA-N 2 1 267.377 0.484 10 0 CCAEMP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000055130398 525086602 /nfs/dbraw/zinc/08/66/02/525086602.db2.gz YTCVYONIGOGCRH-VOAKCMCISA-N 2 1 253.390 0.818 10 0 CCAEMP [NH3+]CCCC[N@H+]1CCCN(C(=O)NC2CC2)CC1 ZINC000054456938 527176073 /nfs/dbraw/zinc/17/60/73/527176073.db2.gz XHLYUOHCSXFFPO-UHFFFAOYSA-N 2 1 254.378 0.605 10 0 CCAEMP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1C ZINC000263204777 535624934 /nfs/dbraw/zinc/62/49/34/535624934.db2.gz JOYGBHGQNUQVAN-OCCSQVGLSA-N 2 1 266.389 0.580 10 0 CCAEMP CCN1CC[NH+](CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261910692 535679049 /nfs/dbraw/zinc/67/90/49/535679049.db2.gz TVHUAYCVLRFBIQ-AWEZNQCLSA-N 2 1 296.459 0.600 10 0 CCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000262515928 535846037 /nfs/dbraw/zinc/84/60/37/535846037.db2.gz CPPJLTRAORXZIW-RWMBFGLXSA-N 2 1 271.405 0.275 10 0 CCAEMP COCCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263313381 536733166 /nfs/dbraw/zinc/73/31/66/536733166.db2.gz ZCHZSJPPPURUNK-UONOGXRCSA-N 2 1 280.368 0.382 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc(OC)c1 ZINC000262168694 536801058 /nfs/dbraw/zinc/80/10/58/536801058.db2.gz UVEMXZSRDZPXAD-SMDDNHRTSA-N 2 1 266.341 0.374 10 0 CCAEMP COC1(C[NH2+]C2CC[NH+](CCO)CC2)CCCC1 ZINC000398963051 581206242 /nfs/dbraw/zinc/20/62/42/581206242.db2.gz OMXOXVQNTPHPPD-UHFFFAOYSA-N 2 1 256.390 0.992 10 0 CCAEMP [NH3+]CCCC[C@H]([NH3+])c1nc(N2CCCC[C@@H]2CCO)no1 ZINC000757126300 581695971 /nfs/dbraw/zinc/69/59/71/581695971.db2.gz VPQMLSYZABDWQK-NEPJUHHUSA-N 2 1 297.403 0.940 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000311251092 625513251 /nfs/dbraw/zinc/51/32/51/625513251.db2.gz FAMHNKYFGYCFEU-CABCVRRESA-N 2 1 269.433 0.859 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]12 ZINC000307953683 624823256 /nfs/dbraw/zinc/82/32/56/624823256.db2.gz YBZFXXSRNYAAME-XFWSIPNHSA-N 2 1 252.280 0.969 10 0 CCAEMP C[N@H+](Cc1ccncc1)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000097035371 649828461 /nfs/dbraw/zinc/82/84/61/649828461.db2.gz YDNZSWRSDLPTAV-OAHLLOKOSA-N 2 1 278.400 0.122 10 0 CCAEMP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262277718 137034546 /nfs/dbraw/zinc/03/45/46/137034546.db2.gz LHKBLRVJVGTEBW-OLZOCXBDSA-N 2 1 269.389 0.341 10 0 CCAEMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263288410 137063001 /nfs/dbraw/zinc/06/30/01/137063001.db2.gz VJPQHRJMZBOTTP-TZMCWYRMSA-N 2 1 263.341 0.315 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000263305540 137063402 /nfs/dbraw/zinc/06/34/02/137063402.db2.gz XUJRPJWBIZKQTG-MFKMUULPSA-N 2 1 290.392 0.875 10 0 CCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)C[NH2+]CC3CC3)CC2)CCO1 ZINC000263302280 137063491 /nfs/dbraw/zinc/06/34/91/137063491.db2.gz ZRUOEBVVAQGRPO-ZDUSSCGKSA-N 2 1 295.427 0.698 10 0 CCAEMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000263320029 137063748 /nfs/dbraw/zinc/06/37/48/137063748.db2.gz RDHRRDJWHLEGKL-HNNXBMFYSA-N 2 1 273.380 0.987 10 0 CCAEMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000036906993 348174697 /nfs/dbraw/zinc/17/46/97/348174697.db2.gz JHZWDWVXMXJNOK-GJZGRUSLSA-N 2 1 291.395 0.348 10 0 CCAEMP [NH3+]C1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000037626127 348194835 /nfs/dbraw/zinc/19/48/35/348194835.db2.gz KPPJYFJYCJJBME-UHFFFAOYSA-N 2 1 269.389 0.342 10 0 CCAEMP O=C(CC[NH2+]C1CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812788 348208348 /nfs/dbraw/zinc/20/83/48/348208348.db2.gz LZGXGGJFNPBMOG-CYBMUJFWSA-N 2 1 251.374 0.825 10 0 CCAEMP [NH3+]C1CC[NH+](C[C@@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000070458346 348890432 /nfs/dbraw/zinc/89/04/32/348890432.db2.gz ACIOVLAEHAJGHH-GFCCVEGCSA-N 2 1 264.325 0.872 10 0 CCAEMP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)C[NH+]1CCCCC1 ZINC000088371245 349363580 /nfs/dbraw/zinc/36/35/80/349363580.db2.gz PJRYWNKZUQGZPC-OLZOCXBDSA-N 2 1 269.389 0.213 10 0 CCAEMP O=C([C@@H]1COCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000088371288 349363849 /nfs/dbraw/zinc/36/38/49/349363849.db2.gz UABPGRAJKZJCJE-ZDUSSCGKSA-N 2 1 267.373 0.062 10 0 CCAEMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCOC)[NH+](C)C ZINC000162014506 350733474 /nfs/dbraw/zinc/73/34/74/350733474.db2.gz ILHMAHVAUFXMES-UONOGXRCSA-N 2 1 285.432 0.944 10 0 CCAEMP CN1CCN([C@@H]2CCCC[N@@H+](CCn3cccn3)C2)CC1 ZINC000174903565 351110072 /nfs/dbraw/zinc/11/00/72/351110072.db2.gz DKEZBILRBYOHDB-MRXNPFEDSA-N 2 1 291.443 0.985 10 0 CCAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCn3cccn3)C2)CC1 ZINC000174903565 351110075 /nfs/dbraw/zinc/11/00/75/351110075.db2.gz DKEZBILRBYOHDB-MRXNPFEDSA-N 2 1 291.443 0.985 10 0 CCAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCn3cccn3)C2)CC1 ZINC000174903565 351110078 /nfs/dbraw/zinc/11/00/78/351110078.db2.gz DKEZBILRBYOHDB-MRXNPFEDSA-N 2 1 291.443 0.985 10 0 CCAEMP CC[C@@H](O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182901242 351371750 /nfs/dbraw/zinc/37/17/50/351371750.db2.gz XMJURXTYRNCQBP-LSDHHAIUSA-N 2 1 269.433 0.859 10 0 CCAEMP CC[C@@H](O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182901242 351371752 /nfs/dbraw/zinc/37/17/52/351371752.db2.gz XMJURXTYRNCQBP-LSDHHAIUSA-N 2 1 269.433 0.859 10 0 CCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000245985857 352344088 /nfs/dbraw/zinc/34/40/88/352344088.db2.gz QBZLSMRXVSLAJW-OLZOCXBDSA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@H]1CN(CCN2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000248650251 352452264 /nfs/dbraw/zinc/45/22/64/352452264.db2.gz LXCSKUNCHUSAKG-KBPBESRZSA-N 2 1 253.390 0.487 10 0 CCAEMP O=C(NC1C[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000335378294 354995140 /nfs/dbraw/zinc/99/51/40/354995140.db2.gz KWIFCWJMZGCRGW-FZMZJTMJSA-N 2 1 278.400 0.617 10 0 CCAEMP COc1cc(C)[nH+]c(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404207305 357817714 /nfs/dbraw/zinc/81/77/14/357817714.db2.gz SVVCDDRDUOSGCP-CABCVRRESA-N 2 1 277.368 0.961 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(C)C1=O ZINC000178336254 189108408 /nfs/dbraw/zinc/10/84/08/189108408.db2.gz SWCCYMIIMUBNBU-QWHCGFSZSA-N 2 1 262.357 0.887 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC000178336254 189108409 /nfs/dbraw/zinc/10/84/09/189108409.db2.gz SWCCYMIIMUBNBU-QWHCGFSZSA-N 2 1 262.357 0.887 10 0 CCAEMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC[NH2+]1 ZINC000136206605 291362793 /nfs/dbraw/zinc/36/27/93/291362793.db2.gz HHABURYOWDPAAR-VNHYZAJKSA-N 2 1 281.400 0.498 10 0 CCAEMP O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1cc2c[nH+]cn2cn1 ZINC000168856571 284145538 /nfs/dbraw/zinc/14/55/38/284145538.db2.gz USEYBNCKQCQBCZ-JMJZKYOTSA-N 2 1 257.297 0.210 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638081317 374639113 /nfs/dbraw/zinc/63/91/13/374639113.db2.gz XQJRBOWDTUZDIF-SGMGOOAPSA-N 2 1 269.389 0.354 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638081160 374640677 /nfs/dbraw/zinc/64/06/77/374640677.db2.gz WCFABEWLBSZDID-HIFRSBDPSA-N 2 1 283.416 0.746 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000247118829 285043106 /nfs/dbraw/zinc/04/31/06/285043106.db2.gz UJEYXHPPEXYYDZ-YNEHKIRRSA-N 2 1 271.405 0.240 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000247118829 285043108 /nfs/dbraw/zinc/04/31/08/285043108.db2.gz UJEYXHPPEXYYDZ-YNEHKIRRSA-N 2 1 271.405 0.240 10 0 CCAEMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392933686 285206515 /nfs/dbraw/zinc/20/65/15/285206515.db2.gz LNEZQJBPLXMMSM-CYDGBPFRSA-N 2 1 251.374 0.870 10 0 CCAEMP CC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106386566 389092846 /nfs/dbraw/zinc/09/28/46/389092846.db2.gz WOLKHJGOWSGCSY-OCCSQVGLSA-N 2 1 258.406 0.782 10 0 CCAEMP CC[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@@H+]1C[C@H](C)O ZINC000302022692 389062094 /nfs/dbraw/zinc/06/20/94/389062094.db2.gz IXBANLCEIVBZOT-RYUDHWBXSA-N 2 1 292.383 0.462 10 0 CCAEMP CC[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@H+]1C[C@H](C)O ZINC000302022692 389062097 /nfs/dbraw/zinc/06/20/97/389062097.db2.gz IXBANLCEIVBZOT-RYUDHWBXSA-N 2 1 292.383 0.462 10 0 CCAEMP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000193607356 389074602 /nfs/dbraw/zinc/07/46/02/389074602.db2.gz WXDMPFPTIMLERV-XQQFMLRXSA-N 2 1 251.374 0.489 10 0 CCAEMP CC(C)N1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1=O ZINC000193607356 389074604 /nfs/dbraw/zinc/07/46/04/389074604.db2.gz WXDMPFPTIMLERV-XQQFMLRXSA-N 2 1 251.374 0.489 10 0 CCAEMP CC(C)N1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1=O ZINC000193607356 389074607 /nfs/dbraw/zinc/07/46/07/389074607.db2.gz WXDMPFPTIMLERV-XQQFMLRXSA-N 2 1 251.374 0.489 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)C)CC1 ZINC000105862086 389089017 /nfs/dbraw/zinc/08/90/17/389089017.db2.gz WCGDTRIYKGPQND-LBPRGKRZSA-N 2 1 271.405 0.099 10 0 CCAEMP CCOC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915523 389089341 /nfs/dbraw/zinc/08/93/41/389089341.db2.gz FQXJUYSAJZCLRH-CYBMUJFWSA-N 2 1 286.416 0.964 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000306228826 389090598 /nfs/dbraw/zinc/09/05/98/389090598.db2.gz JFUPQOVKWXATPE-HZPDHXFCSA-N 2 1 275.396 0.527 10 0 CCAEMP C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000313952916 389116026 /nfs/dbraw/zinc/11/60/26/389116026.db2.gz CJCAYCGGQRMBDI-ZYHUDNBSSA-N 2 1 250.346 0.609 10 0 CCAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CC(N)=O)C1 ZINC000195286481 389121842 /nfs/dbraw/zinc/12/18/42/389121842.db2.gz ZJRKSJFEUYSPPV-ZDUSSCGKSA-N 2 1 262.357 0.321 10 0 CCAEMP CC[C@H](C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247169180 389236906 /nfs/dbraw/zinc/23/69/06/389236906.db2.gz MUOFIFGBHXCAOB-KBPBESRZSA-N 2 1 299.459 0.926 10 0 CCAEMP COc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(C)n1 ZINC000263199758 389297891 /nfs/dbraw/zinc/29/78/91/389297891.db2.gz IVSMVSOSNZSQLE-WCQYABFASA-N 2 1 265.357 0.377 10 0 CCAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[NH2+]C1 ZINC000263322751 389299452 /nfs/dbraw/zinc/29/94/52/389299452.db2.gz RSXGEDHXYARLCM-GRYCIOLGSA-N 2 1 253.390 0.688 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000332868906 389383979 /nfs/dbraw/zinc/38/39/79/389383979.db2.gz MYPJIWBWESYAPE-UONOGXRCSA-N 2 1 298.431 0.179 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000332868906 389383982 /nfs/dbraw/zinc/38/39/82/389383982.db2.gz MYPJIWBWESYAPE-UONOGXRCSA-N 2 1 298.431 0.179 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000333298319 389408739 /nfs/dbraw/zinc/40/87/39/389408739.db2.gz IQPGBMIQQUYXOY-MDZLAQPJSA-N 2 1 266.389 0.744 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333450626 389413913 /nfs/dbraw/zinc/41/39/13/389413913.db2.gz XMDIPXUWLKNPHT-DYEKYZERSA-N 2 1 280.416 0.910 10 0 CCAEMP C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172163399 389484673 /nfs/dbraw/zinc/48/46/73/389484673.db2.gz WRYZKUIRQKFIEN-HZPDHXFCSA-N 2 1 278.444 0.546 10 0 CCAEMP CN(C)c1nc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc[nH+]1 ZINC000333639565 389437407 /nfs/dbraw/zinc/43/74/07/389437407.db2.gz BYAGDVMLKWIFIO-OCCSQVGLSA-N 2 1 291.399 0.875 10 0 CCAEMP CS(=O)(=O)CCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000647908189 390214567 /nfs/dbraw/zinc/21/45/67/390214567.db2.gz FULNZNDDNUCDCL-SDDRHHMPSA-N 2 1 260.403 0.480 10 0 CCAEMP CS(=O)(=O)CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000647908189 390214568 /nfs/dbraw/zinc/21/45/68/390214568.db2.gz FULNZNDDNUCDCL-SDDRHHMPSA-N 2 1 260.403 0.480 10 0 CCAEMP COCCC1(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]CC1 ZINC000649307786 390567734 /nfs/dbraw/zinc/56/77/34/390567734.db2.gz JICMGUZDTUHIAX-UHFFFAOYSA-N 2 1 283.416 0.603 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649335096 390591592 /nfs/dbraw/zinc/59/15/92/390591592.db2.gz FCAOBZMWKXURKY-UTUOFQBUSA-N 2 1 287.354 0.926 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646140803 390616696 /nfs/dbraw/zinc/61/66/96/390616696.db2.gz XPEGNXVYQXUIOA-NWDGAFQWSA-N 2 1 253.390 0.927 10 0 CCAEMP C[C@@H]1CN([C@@]2(C[NH3+])C[NH+]3CCC2CC3)C[C@H](C)O1 ZINC000020442136 171205106 /nfs/dbraw/zinc/20/51/06/171205106.db2.gz SEEJPRUWFUYQOM-SCRDCRAPSA-N 2 1 253.390 0.519 10 0 CCAEMP COCCOCCOCCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000662275714 414704828 /nfs/dbraw/zinc/70/48/28/414704828.db2.gz DLGLRZZNFJURCT-STQMWFEESA-N 2 1 260.378 0.335 10 0 CCAEMP COCCOCCOCCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000662275714 414704829 /nfs/dbraw/zinc/70/48/29/414704829.db2.gz DLGLRZZNFJURCT-STQMWFEESA-N 2 1 260.378 0.335 10 0 CCAEMP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1N(C)C ZINC000662278343 414705421 /nfs/dbraw/zinc/70/54/21/414705421.db2.gz FZFMIRZFZAUATH-UPJWGTAASA-N 2 1 253.390 0.389 10 0 CCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1N(C)C ZINC000662278343 414705422 /nfs/dbraw/zinc/70/54/22/414705422.db2.gz FZFMIRZFZAUATH-UPJWGTAASA-N 2 1 253.390 0.389 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662593572 414731153 /nfs/dbraw/zinc/73/11/53/414731153.db2.gz PLBLPZHLGGNBLN-NEPJUHHUSA-N 2 1 253.390 0.833 10 0 CCAEMP CC[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC000071191679 176071095 /nfs/dbraw/zinc/07/10/95/176071095.db2.gz XQIJODKJPYTMJE-LBPRGKRZSA-N 2 1 263.389 0.974 10 0 CCAEMP CCN1CCN(C[C@@H](CC[NH3+])[NH+]2CCCC2)CC1 ZINC000076658665 177047506 /nfs/dbraw/zinc/04/75/06/177047506.db2.gz NMGMWNIZKVYKOV-CQSZACIVSA-N 2 1 254.422 0.437 10 0 CCAEMP CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000165862798 544723786 /nfs/dbraw/zinc/72/37/86/544723786.db2.gz DDFUEEVHGLQZPJ-ZDUSSCGKSA-N 2 1 269.389 0.213 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C ZINC000246302668 544909224 /nfs/dbraw/zinc/90/92/24/544909224.db2.gz OCDGMYPVLNDTEM-RVMXOQNASA-N 2 1 269.389 0.027 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C ZINC000246302668 544909229 /nfs/dbraw/zinc/90/92/29/544909229.db2.gz OCDGMYPVLNDTEM-RVMXOQNASA-N 2 1 269.389 0.027 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1C[NH2+]C[C@H]1O ZINC000262080077 544939362 /nfs/dbraw/zinc/93/93/62/544939362.db2.gz DYJVGLNZGKGWCC-MXASKKJJSA-N 2 1 289.423 0.677 10 0 CCAEMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262098260 544939742 /nfs/dbraw/zinc/93/97/42/544939742.db2.gz IHWBNILTROLSSX-OCCSQVGLSA-N 2 1 273.336 0.610 10 0 CCAEMP Cc1cc(C)n2c(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cnc2n1 ZINC000262143688 544942370 /nfs/dbraw/zinc/94/23/70/544942370.db2.gz PZUSOYANVQLZKW-WCQYABFASA-N 2 1 275.356 0.016 10 0 CCAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247570040 279265188 /nfs/dbraw/zinc/26/51/88/279265188.db2.gz WLBONNFTKWHGRQ-UONOGXRCSA-N 2 1 283.416 0.650 10 0 CCAEMP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000335285412 279293786 /nfs/dbraw/zinc/29/37/86/279293786.db2.gz NXKZBRFKTYVHRT-TZMCWYRMSA-N 2 1 286.395 0.814 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000335285412 279293788 /nfs/dbraw/zinc/29/37/88/279293788.db2.gz NXKZBRFKTYVHRT-TZMCWYRMSA-N 2 1 286.395 0.814 10 0 CCAEMP CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000180527723 279327636 /nfs/dbraw/zinc/32/76/36/279327636.db2.gz RJDMKAAABOIAQS-AWEZNQCLSA-N 2 1 282.432 0.177 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000180527723 279327638 /nfs/dbraw/zinc/32/76/38/279327638.db2.gz RJDMKAAABOIAQS-AWEZNQCLSA-N 2 1 282.432 0.177 10 0 CCAEMP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000163998185 289374824 /nfs/dbraw/zinc/37/48/24/289374824.db2.gz DSRIHCLZHIFHTH-WCFLWFBJSA-N 2 1 251.374 0.585 10 0 CCAEMP [NH3+]C1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000333663124 295211638 /nfs/dbraw/zinc/21/16/38/295211638.db2.gz LXJFHABHHDFYBM-WXRRBKDZSA-N 2 1 266.389 0.746 10 0 CCAEMP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747069 295338741 /nfs/dbraw/zinc/33/87/41/295338741.db2.gz ORNJNBGKNSDISV-OLZOCXBDSA-N 2 1 251.374 0.811 10 0 CCAEMP 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YOWWXCPQYZJLIO-CYBMUJFWSA-N 2 1 256.390 0.849 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000085365106 518197673 /nfs/dbraw/zinc/19/76/73/518197673.db2.gz SVTYPVOIKTUVBH-CYZMBNFOSA-N 2 1 251.374 0.714 10 0 CCAEMP C(C[N@@H+]1CC[C@@H](C[NH2+]C2CC2)C1)N1CCOCC1 ZINC000053012443 518388873 /nfs/dbraw/zinc/38/88/73/518388873.db2.gz XDENATBLIFJFFV-ZDUSSCGKSA-N 2 1 253.390 0.393 10 0 CCAEMP CCCN1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052422005 519858629 /nfs/dbraw/zinc/85/86/29/519858629.db2.gz RBQLVLNPMOHUEG-KGLIPLIRSA-N 2 1 255.406 0.781 10 0 CCAEMP CCCO[C@@H]1CCC[N@@H+](CC2(O)CC[NH2+]CC2)C1 ZINC000051016146 520272483 /nfs/dbraw/zinc/27/24/83/520272483.db2.gz SCJJCDYDMXKNDX-CYBMUJFWSA-N 2 1 256.390 0.992 10 0 CCAEMP CC[N@@H+]1CC[C@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000049309783 521717028 /nfs/dbraw/zinc/71/70/28/521717028.db2.gz BJJCZGJVHQRHRS-SECBINFHSA-N 2 1 267.295 0.596 10 0 CCAEMP CC[N@H+]1CC[C@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000049309783 521717029 /nfs/dbraw/zinc/71/70/29/521717029.db2.gz BJJCZGJVHQRHRS-SECBINFHSA-N 2 1 267.295 0.596 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000061401499 523596230 /nfs/dbraw/zinc/59/62/30/523596230.db2.gz NTTOYNIYYRUKFN-STQMWFEESA-N 2 1 271.405 0.446 10 0 CCAEMP C[C@H](CC[NH+](C)C)[NH2+]CC(=O)NCC(F)(F)F ZINC000049557094 524161653 /nfs/dbraw/zinc/16/16/53/524161653.db2.gz YWYZKADWLFYXOL-MRVPVSSYSA-N 2 1 255.284 0.595 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604627 525099386 /nfs/dbraw/zinc/09/93/86/525099386.db2.gz AOJSAOHONSFMBY-XQQFMLRXSA-N 2 1 274.430 0.599 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604627 525099393 /nfs/dbraw/zinc/09/93/93/525099393.db2.gz AOJSAOHONSFMBY-XQQFMLRXSA-N 2 1 274.430 0.599 10 0 CCAEMP O[C@H](C[NH2+][C@@H]1CO[C@H](C2CC2)C1)C[NH+]1CCCCC1 ZINC000667797915 545156380 /nfs/dbraw/zinc/15/63/80/545156380.db2.gz AQWSXCAOFIXBPZ-ZNMIVQPWSA-N 2 1 268.401 0.990 10 0 CCAEMP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000262577346 535524830 /nfs/dbraw/zinc/52/48/30/535524830.db2.gz OXUJJBSARYDATF-TZMCWYRMSA-N 2 1 271.405 0.419 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc(OC)c1 ZINC000262168689 536801156 /nfs/dbraw/zinc/80/11/56/536801156.db2.gz UVEMXZSRDZPXAD-FZMZJTMJSA-N 2 1 266.341 0.374 10 0 CCAEMP [NH3+]CCCC[C@H]([NH3+])c1nc(N2CCCC[C@H]2CCO)no1 ZINC000757126303 581695755 /nfs/dbraw/zinc/69/57/55/581695755.db2.gz VPQMLSYZABDWQK-RYUDHWBXSA-N 2 1 297.403 0.940 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000310667887 623438218 /nfs/dbraw/zinc/43/82/18/623438218.db2.gz FKHQXKICPSQGEP-WXHSDQCUSA-N 2 1 251.374 0.809 10 0 CCAEMP COc1nccnc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000095071597 349587376 /nfs/dbraw/zinc/58/73/76/349587376.db2.gz PSUSXWFTICBJOS-UHFFFAOYSA-N 2 1 250.346 0.917 10 0 CCAEMP O=C(C[N@@H+]1CCC[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000101727102 349668314 /nfs/dbraw/zinc/66/83/14/349668314.db2.gz NDKIZHDFUSWQLV-CQSZACIVSA-N 2 1 281.400 0.186 10 0 CCAEMP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000117045945 349880544 /nfs/dbraw/zinc/88/05/44/349880544.db2.gz OGXVSHPBGKNLQB-OCCSQVGLSA-N 2 1 298.431 0.441 10 0 CCAEMP CN1CCO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250372272 137001523 /nfs/dbraw/zinc/00/15/23/137001523.db2.gz JAJBDHWXQTWVNA-MELADBBJSA-N 2 1 253.390 0.533 10 0 CCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261655717 137014454 /nfs/dbraw/zinc/01/44/54/137014454.db2.gz FLIGHWADESQALA-TUAOUCFPSA-N 2 1 257.378 0.339 10 0 CCAEMP C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000262433346 137043351 /nfs/dbraw/zinc/04/33/51/137043351.db2.gz UCDFRCWOICXEBG-NEPJUHHUSA-N 2 1 253.390 0.833 10 0 CCAEMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263110405 137058341 /nfs/dbraw/zinc/05/83/41/137058341.db2.gz AGDZPGZEKJSMRQ-JSGCOSHPSA-N 2 1 280.416 0.925 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692736 137015992 /nfs/dbraw/zinc/01/59/92/137015992.db2.gz KSMJVNKPHCDMNQ-KGLIPLIRSA-N 2 1 296.459 0.598 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000263288363 137063009 /nfs/dbraw/zinc/06/30/09/137063009.db2.gz VJCXGCNYZRUUPC-JOYOIKCWSA-N 2 1 280.759 0.658 10 0 CCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105192173 186045657 /nfs/dbraw/zinc/04/56/57/186045657.db2.gz LCQACSBRXICTJN-UONOGXRCSA-N 2 1 280.416 0.960 10 0 CCAEMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105192173 186045659 /nfs/dbraw/zinc/04/56/59/186045659.db2.gz LCQACSBRXICTJN-UONOGXRCSA-N 2 1 280.416 0.960 10 0 CCAEMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105192173 186045660 /nfs/dbraw/zinc/04/56/60/186045660.db2.gz LCQACSBRXICTJN-UONOGXRCSA-N 2 1 280.416 0.960 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000132964157 350321407 /nfs/dbraw/zinc/32/14/07/350321407.db2.gz HQDCUBYOODGAMA-CHWSQXEVSA-N 2 1 282.432 0.269 10 0 CCAEMP C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000136192785 350417411 /nfs/dbraw/zinc/41/74/11/350417411.db2.gz SGWCYKVNCCWFQI-AWEZNQCLSA-N 2 1 269.389 0.357 10 0 CCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901551 350941001 /nfs/dbraw/zinc/94/10/01/350941001.db2.gz FHDWJOWTKBNHJS-DZGCQCFKSA-N 2 1 292.427 0.960 10 0 CCAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901551 350941005 /nfs/dbraw/zinc/94/10/05/350941005.db2.gz FHDWJOWTKBNHJS-DZGCQCFKSA-N 2 1 292.427 0.960 10 0 CCAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901551 350941008 /nfs/dbraw/zinc/94/10/08/350941008.db2.gz FHDWJOWTKBNHJS-DZGCQCFKSA-N 2 1 292.427 0.960 10 0 CCAEMP COC[C@@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000171973389 350949015 /nfs/dbraw/zinc/94/90/15/350949015.db2.gz RKPWDZBDTGRRDO-ZDUSSCGKSA-N 2 1 267.373 0.682 10 0 CCAEMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc(C[NH3+])cc2)cn1 ZINC000181355724 351314821 /nfs/dbraw/zinc/31/48/21/351314821.db2.gz JTPHXCFUJYJZQJ-OAHLLOKOSA-N 2 1 299.378 0.666 10 0 CCAEMP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000251994554 352512310 /nfs/dbraw/zinc/51/23/10/352512310.db2.gz ZMXXNZYHKQCBBG-UMVBOHGHSA-N 2 1 283.416 0.602 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000252581761 352519947 /nfs/dbraw/zinc/51/99/47/352519947.db2.gz UAPFUHQJFPFFCB-JHJVBQTASA-N 2 1 269.389 0.306 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000333612286 354762780 /nfs/dbraw/zinc/76/27/80/354762780.db2.gz GXCLQXFQWYGEFN-AWEZNQCLSA-N 2 1 298.431 0.492 10 0 CCAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000333612286 354762781 /nfs/dbraw/zinc/76/27/81/354762781.db2.gz GXCLQXFQWYGEFN-AWEZNQCLSA-N 2 1 298.431 0.492 10 0 CCAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000333612286 354762783 /nfs/dbraw/zinc/76/27/83/354762783.db2.gz GXCLQXFQWYGEFN-AWEZNQCLSA-N 2 1 298.431 0.492 10 0 CCAEMP [NH3+]C1CCC(C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000392918697 357749248 /nfs/dbraw/zinc/74/92/48/357749248.db2.gz ILDZNSUZFHSQRY-UHFFFAOYSA-N 2 1 251.374 0.882 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631842814 370708801 /nfs/dbraw/zinc/70/88/01/370708801.db2.gz GEOGVRVDWAPLIF-YPMHNXCESA-N 2 1 279.359 0.969 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631842814 370708807 /nfs/dbraw/zinc/70/88/07/370708807.db2.gz GEOGVRVDWAPLIF-YPMHNXCESA-N 2 1 279.359 0.969 10 0 CCAEMP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000333262210 205163554 /nfs/dbraw/zinc/16/35/54/205163554.db2.gz FVKXEHRPJGDVGT-ZIAGYGMSSA-N 2 1 298.431 0.491 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638109989 374677502 /nfs/dbraw/zinc/67/75/02/374677502.db2.gz YSYYPFUCAMWNAG-TZMCWYRMSA-N 2 1 269.389 0.308 10 0 CCAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C12CCOCC2 ZINC000329939385 389213616 /nfs/dbraw/zinc/21/36/16/389213616.db2.gz FQIAKOXLRIQDOU-ZNMIVQPWSA-N 2 1 298.427 0.617 10 0 CCAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C12CCOCC2 ZINC000329939385 389213618 /nfs/dbraw/zinc/21/36/18/389213618.db2.gz FQIAKOXLRIQDOU-ZNMIVQPWSA-N 2 1 298.427 0.617 10 0 CCAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000247064963 389235766 /nfs/dbraw/zinc/23/57/66/389235766.db2.gz ISBBZKWXPWYJCM-FRRDWIJNSA-N 2 1 269.389 0.162 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000247064963 389235768 /nfs/dbraw/zinc/23/57/68/389235768.db2.gz ISBBZKWXPWYJCM-FRRDWIJNSA-N 2 1 269.389 0.162 10 0 CCAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000247064963 389235769 /nfs/dbraw/zinc/23/57/69/389235769.db2.gz ISBBZKWXPWYJCM-FRRDWIJNSA-N 2 1 269.389 0.162 10 0 CCAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000247064963 389235771 /nfs/dbraw/zinc/23/57/71/389235771.db2.gz ISBBZKWXPWYJCM-FRRDWIJNSA-N 2 1 269.389 0.162 10 0 CCAEMP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000649327942 390586021 /nfs/dbraw/zinc/58/60/21/390586021.db2.gz RACPQVUNXXUSJX-MNOVXSKESA-N 2 1 273.327 0.538 10 0 CCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304854 390564370 /nfs/dbraw/zinc/56/43/70/390564370.db2.gz KEKWCPMEPNOAKY-OLZOCXBDSA-N 2 1 269.389 0.069 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000388828617 397507801 /nfs/dbraw/zinc/50/78/01/397507801.db2.gz WXZUAJFAGYKWTB-ZNMIVQPWSA-N 2 1 269.433 0.856 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000388828617 397507805 /nfs/dbraw/zinc/50/78/05/397507805.db2.gz WXZUAJFAGYKWTB-ZNMIVQPWSA-N 2 1 269.433 0.856 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000388828617 397507811 /nfs/dbraw/zinc/50/78/11/397507811.db2.gz WXZUAJFAGYKWTB-ZNMIVQPWSA-N 2 1 269.433 0.856 10 0 CCAEMP CCOC(=O)C1CC[NH+]([C@H]2CCC[C@H]([NH2+]C)[C@@H]2O)CC1 ZINC000616578220 397598523 /nfs/dbraw/zinc/59/85/23/397598523.db2.gz KJZLUFJQGVOYBE-IHRRRGAJSA-N 2 1 284.400 0.763 10 0 CCAEMP [NH3+]C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000020225947 171089629 /nfs/dbraw/zinc/08/96/29/171089629.db2.gz CRPMYCVSJNOXRX-AWEZNQCLSA-N 2 1 283.803 0.950 10 0 CCAEMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC000020434146 171199883 /nfs/dbraw/zinc/19/98/83/171199883.db2.gz JHZWDWVXMXJNOK-CABCVRRESA-N 2 1 291.395 0.348 10 0 CCAEMP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(O)CC1 ZINC000022218563 171376775 /nfs/dbraw/zinc/37/67/75/171376775.db2.gz RUKXIFBSSUFVGK-NSHDSACASA-N 2 1 277.368 0.929 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000653119397 412230324 /nfs/dbraw/zinc/23/03/24/412230324.db2.gz IDHHYKVGKDNVSK-LMLFDSFASA-N 2 1 293.333 0.983 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000653119396 412230377 /nfs/dbraw/zinc/23/03/77/412230377.db2.gz IDHHYKVGKDNVSK-GWOFURMSSA-N 2 1 293.333 0.983 10 0 CCAEMP C[C@H]([NH2+]CCN1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210158 173031468 /nfs/dbraw/zinc/03/14/68/173031468.db2.gz GJJFPUJLVVWQEG-KBPBESRZSA-N 2 1 255.406 0.639 10 0 CCAEMP C[C@@H](C(=O)NC(N)=O)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC000037299811 173105680 /nfs/dbraw/zinc/10/56/80/173105680.db2.gz YYOUYIFMJYLBSN-JTQLQIEISA-N 2 1 270.377 0.553 10 0 CCAEMP [NH3+]CCC[N@H+](C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000038084712 174095286 /nfs/dbraw/zinc/09/52/86/174095286.db2.gz LRIVVVMENXSHFC-GFCCVEGCSA-N 2 1 260.403 0.767 10 0 CCAEMP [NH3+]CCC[N@@H+](C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000038084712 174095287 /nfs/dbraw/zinc/09/52/87/174095287.db2.gz LRIVVVMENXSHFC-GFCCVEGCSA-N 2 1 260.403 0.767 10 0 CCAEMP CCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000040458668 174268223 /nfs/dbraw/zinc/26/82/23/174268223.db2.gz LINMDERNNYOESY-NSHDSACASA-N 2 1 259.419 0.621 10 0 CCAEMP C[N@H+](Cc1ccc2nccnc2c1)C[C@@]1(O)CC[NH2+]C1 ZINC000077505653 177275934 /nfs/dbraw/zinc/27/59/34/177275934.db2.gz CBBQAGZDCXUSEF-OAHLLOKOSA-N 2 1 272.352 0.786 10 0 CCAEMP C[N@@H+](Cc1ccc2nccnc2c1)C[C@@]1(O)CC[NH2+]C1 ZINC000077505653 177275936 /nfs/dbraw/zinc/27/59/36/177275936.db2.gz CBBQAGZDCXUSEF-OAHLLOKOSA-N 2 1 272.352 0.786 10 0 CCAEMP C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000250831661 544924956 /nfs/dbraw/zinc/92/49/56/544924956.db2.gz JIOSXNKMELROHI-ZIAGYGMSSA-N 2 1 253.390 0.393 10 0 CCAEMP CC(C)(C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000251086023 544925297 /nfs/dbraw/zinc/92/52/97/544925297.db2.gz XOYBFKTTXAPBGL-KBPBESRZSA-N 2 1 294.443 0.413 10 0 CCAEMP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336509700 545050721 /nfs/dbraw/zinc/05/07/21/545050721.db2.gz KZLOCBDHZYHIIY-DGCLKSJQSA-N 2 1 287.354 0.833 10 0 CCAEMP C[C@@H]1C[N@H+](CCN2CC[NH+]3CCCC[C@@H]3C2)CCO1 ZINC000192770062 288171537 /nfs/dbraw/zinc/17/15/37/288171537.db2.gz SPPFVBGOPXZSPD-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[N@@H+](CCN2CC[NH+]3CCCC[C@@H]3C2)CCO1 ZINC000192770062 288171539 /nfs/dbraw/zinc/17/15/39/288171539.db2.gz SPPFVBGOPXZSPD-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[NH+](CCN2CC[N@@H+]3CCCC[C@@H]3C2)CCO1 ZINC000192770062 288171540 /nfs/dbraw/zinc/17/15/40/288171540.db2.gz SPPFVBGOPXZSPD-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[NH+](CCN2CC[N@H+]3CCCC[C@@H]3C2)CCO1 ZINC000192770062 288171543 /nfs/dbraw/zinc/17/15/43/288171543.db2.gz SPPFVBGOPXZSPD-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1C[C@H](C)O ZINC000261886244 280351301 /nfs/dbraw/zinc/35/13/01/280351301.db2.gz ZSZHILAWPAYPFR-BYNSBNAKSA-N 2 1 297.443 0.808 10 0 CCAEMP CC1(C)CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[C@@H]1[NH3+] ZINC000334920398 281180158 /nfs/dbraw/zinc/18/01/58/281180158.db2.gz DWZVFXVNQVWFCZ-YPMHNXCESA-N 2 1 280.416 0.992 10 0 CCAEMP CC1(C)CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC[C@@H]1[NH3+] ZINC000336509656 281197346 /nfs/dbraw/zinc/19/73/46/281197346.db2.gz BCOQJPDIXMDHBD-UWVGGRQHSA-N 2 1 275.343 0.817 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000389742355 545087184 /nfs/dbraw/zinc/08/71/84/545087184.db2.gz OFQSVZPEAOSORF-NSHDSACASA-N 2 1 255.362 0.095 10 0 CCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333815168 297806080 /nfs/dbraw/zinc/80/60/80/297806080.db2.gz JYVBGUBUWRVZES-HZSPNIEDSA-N 2 1 296.415 0.243 10 0 CCAEMP CC[NH+]1CCC([N@H+](C)CC[C@H](NC)C(=O)OC)CC1 ZINC000062463023 521562303 /nfs/dbraw/zinc/56/23/03/521562303.db2.gz QDYILHNNVZDNSG-ZDUSSCGKSA-N 2 1 271.405 0.554 10 0 CCAEMP CC[NH+]1CCC([N@@H+](C)CC[C@H](NC)C(=O)OC)CC1 ZINC000062463023 521562310 /nfs/dbraw/zinc/56/23/10/521562310.db2.gz QDYILHNNVZDNSG-ZDUSSCGKSA-N 2 1 271.405 0.554 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000091667914 518197712 /nfs/dbraw/zinc/19/77/12/518197712.db2.gz VVXYXFDLVXFOGA-REWJHTLYSA-N 2 1 281.400 0.483 10 0 CCAEMP CC[N@@H+](CCN1CCC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000061275313 521045392 /nfs/dbraw/zinc/04/53/92/521045392.db2.gz FOIWGNORMYRHIB-AWEZNQCLSA-N 2 1 255.406 0.783 10 0 CCAEMP COCC[C@@H]([NH3+])C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000052809192 521822225 /nfs/dbraw/zinc/82/22/25/521822225.db2.gz MSHLUHQRUYCMSL-PSEXLTFBSA-N 2 1 269.389 0.339 10 0 CCAEMP C[NH+](C)C[C@@H]1CCCN1[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000061642999 521843914 /nfs/dbraw/zinc/84/39/14/521843914.db2.gz ZKHPDFQNFYDTAH-LSDHHAIUSA-N 3 1 266.433 0.436 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051114256 523815440 /nfs/dbraw/zinc/81/54/40/523815440.db2.gz VSDJILRYDZJSJX-JTQLQIEISA-N 2 1 263.345 0.439 10 0 CCAEMP C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]23)C[NH2+]1 ZINC000049570475 524635520 /nfs/dbraw/zinc/63/55/20/524635520.db2.gz GVODOQBTNIASEU-YVECIDJPSA-N 2 1 251.374 0.727 10 0 CCAEMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C(N)=O)CC1 ZINC000049330289 527430421 /nfs/dbraw/zinc/43/04/21/527430421.db2.gz IBEUANQMGCEUFD-UHFFFAOYSA-N 2 1 250.346 0.825 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692741 535639711 /nfs/dbraw/zinc/63/97/11/535639711.db2.gz KSMJVNKPHCDMNQ-UONOGXRCSA-N 2 1 296.459 0.598 10 0 CCAEMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC000263312530 536311365 /nfs/dbraw/zinc/31/13/65/536311365.db2.gz YXKVSRWTNSKMQF-HIFRSBDPSA-N 2 1 289.379 0.266 10 0 CCAEMP C[NH2+][C@H](C(=O)NCC1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000262325633 536382162 /nfs/dbraw/zinc/38/21/62/536382162.db2.gz FZYKWVCTMFBJNW-ZDUSSCGKSA-N 2 1 279.388 0.139 10 0 CCAEMP OCCC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310558900 623347314 /nfs/dbraw/zinc/34/73/14/623347314.db2.gz JFEJSPYRTYYCPG-KBPBESRZSA-N 2 1 256.390 0.680 10 0 CCAEMP OCCC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310558900 623347317 /nfs/dbraw/zinc/34/73/17/623347317.db2.gz JFEJSPYRTYYCPG-KBPBESRZSA-N 2 1 256.390 0.680 10 0 CCAEMP O[C@H](CN1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000310559526 623348668 /nfs/dbraw/zinc/34/86/68/623348668.db2.gz RFTUQQDYDGPQDI-KBPBESRZSA-N 2 1 253.390 0.223 10 0 CCAEMP COC(=O)[C@]12C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]1COCC2 ZINC000261820256 631631816 /nfs/dbraw/zinc/63/18/16/631631816.db2.gz QKLRSXLPUIIBIR-KCQAQPDRSA-N 2 1 282.384 0.498 10 0 CCAEMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000310877922 632969128 /nfs/dbraw/zinc/96/91/28/632969128.db2.gz NCFWJPFDKPMEID-BFHYXJOUSA-N 2 1 256.390 0.990 10 0 CCAEMP Cn1ncc2c1ncnc2NCC[NH+]1CCC([NH3+])CC1 ZINC000322069000 633135663 /nfs/dbraw/zinc/13/56/63/633135663.db2.gz DJDODUHIQLCOBQ-UHFFFAOYSA-N 2 1 275.360 0.198 10 0 CCAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000226233443 636973607 /nfs/dbraw/zinc/97/36/07/636973607.db2.gz KMSBDCMGTFFSQA-XJFOESAGSA-N 2 1 254.374 0.743 10 0 CCAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000226233443 636973625 /nfs/dbraw/zinc/97/36/25/636973625.db2.gz KMSBDCMGTFFSQA-XJFOESAGSA-N 2 1 254.374 0.743 10 0 CCAEMP [NH3+]CCCCCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000110371399 643922431 /nfs/dbraw/zinc/92/24/31/643922431.db2.gz ILUYLDJOZAPKRT-CQSZACIVSA-N 2 1 255.406 0.912 10 0 CCAEMP Cc1cc(N2CCN(C(C)(C)C[NH3+])CC2)nc(C)[nH+]1 ZINC000104066654 136553883 /nfs/dbraw/zinc/55/38/83/136553883.db2.gz FKLKHTXFFFLGLS-UHFFFAOYSA-N 2 1 263.389 0.953 10 0 CCAEMP Cc1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)n1-c1ccccc1 ZINC000263154593 137059197 /nfs/dbraw/zinc/05/91/97/137059197.db2.gz DHDBIQHOTHKGPN-CZUORRHYSA-N 2 1 286.379 0.851 10 0 CCAEMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263256260 137061597 /nfs/dbraw/zinc/06/15/97/137061597.db2.gz QMPNBRCMKCTKOP-IINYFYTJSA-N 2 1 266.389 0.215 10 0 CCAEMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263288404 137062940 /nfs/dbraw/zinc/06/29/40/137062940.db2.gz VJPQHRJMZBOTTP-JSGCOSHPSA-N 2 1 263.341 0.315 10 0 CCAEMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263301363 137063594 /nfs/dbraw/zinc/06/35/94/137063594.db2.gz NLZZJEBBLOVAND-QWRGUYRKSA-N 2 1 269.389 0.210 10 0 CCAEMP Cc1ccn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cnc2c1 ZINC000263310751 137063669 /nfs/dbraw/zinc/06/36/69/137063669.db2.gz YOBUCMHTQCRGAI-DGCLKSJQSA-N 2 1 260.341 0.313 10 0 CCAEMP [NH3+][C@H](CC(F)F)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000310998957 137073770 /nfs/dbraw/zinc/07/37/70/137073770.db2.gz JFXAGKSNUTUZOU-VHSXEESVSA-N 2 1 261.316 0.666 10 0 CCAEMP [NH3+][C@H](CC(F)F)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000310998957 137073771 /nfs/dbraw/zinc/07/37/71/137073771.db2.gz JFXAGKSNUTUZOU-VHSXEESVSA-N 2 1 261.316 0.666 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000054309015 348549759 /nfs/dbraw/zinc/54/97/59/348549759.db2.gz HFTSXYXDUAXLAB-RYUDHWBXSA-N 2 1 251.374 0.729 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCOC)C1 ZINC000171200639 350893551 /nfs/dbraw/zinc/89/35/51/350893551.db2.gz AUJMRRVDSRUFET-ZDUSSCGKSA-N 2 1 286.420 0.348 10 0 CCAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)CCOC)C1 ZINC000171200639 350893552 /nfs/dbraw/zinc/89/35/52/350893552.db2.gz AUJMRRVDSRUFET-ZDUSSCGKSA-N 2 1 286.420 0.348 10 0 CCAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCOC)C1 ZINC000171200639 350893555 /nfs/dbraw/zinc/89/35/55/350893555.db2.gz AUJMRRVDSRUFET-ZDUSSCGKSA-N 2 1 286.420 0.348 10 0 CCAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+]1CCOCC1 ZINC000173652795 351048017 /nfs/dbraw/zinc/04/80/17/351048017.db2.gz ACMXBNYVSNPNME-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH+]1CCOCC1 ZINC000173652795 351048020 /nfs/dbraw/zinc/04/80/20/351048020.db2.gz ACMXBNYVSNPNME-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP CCOCCNC(=O)C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000176024591 351153618 /nfs/dbraw/zinc/15/36/18/351153618.db2.gz MXEMCPNMZJLOJC-AWEZNQCLSA-N 2 1 294.399 0.809 10 0 CCAEMP CCOCCNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176024591 351153628 /nfs/dbraw/zinc/15/36/28/351153628.db2.gz MXEMCPNMZJLOJC-AWEZNQCLSA-N 2 1 294.399 0.809 10 0 CCAEMP C[NH2+]CCCC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000178727005 351242462 /nfs/dbraw/zinc/24/24/62/351242462.db2.gz JMPVMXDPWBFBKM-ZDUSSCGKSA-N 2 1 283.416 0.698 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000184708457 351419430 /nfs/dbraw/zinc/41/94/30/351419430.db2.gz ZYQKXLLYGYCICS-CQSZACIVSA-N 2 1 298.431 0.179 10 0 CCAEMP [NH3+]CCc1nc(C(=O)N2CCC[N@H+](C3CC3)CC2)cs1 ZINC000194833002 351887260 /nfs/dbraw/zinc/88/72/60/351887260.db2.gz VZACUILSWHNZBC-UHFFFAOYSA-N 2 1 294.424 0.955 10 0 CCAEMP CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000226806783 352034731 /nfs/dbraw/zinc/03/47/31/352034731.db2.gz BXMNAERMSBBWFB-KGLIPLIRSA-N 2 1 294.443 0.413 10 0 CCAEMP CC[NH+]1CCC(CCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000236852001 352221863 /nfs/dbraw/zinc/22/18/63/352221863.db2.gz SXJRVJIONUJZGV-ZDUSSCGKSA-N 2 1 269.389 0.213 10 0 CCAEMP O=C([C@H]1COCC[NH2+]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000238011304 352294243 /nfs/dbraw/zinc/29/42/43/352294243.db2.gz JCGHNYOZYCPWBM-ZIAGYGMSSA-N 2 1 281.400 0.309 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000250368568 352504417 /nfs/dbraw/zinc/50/44/17/352504417.db2.gz VGLGBLYDXFNCBR-OLZOCXBDSA-N 2 1 253.390 0.977 10 0 CCAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333836285 354803580 /nfs/dbraw/zinc/80/35/80/354803580.db2.gz UHOUIGVEOMYNRB-CHWSQXEVSA-N 2 1 280.416 0.912 10 0 CCAEMP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178312088 189105597 /nfs/dbraw/zinc/10/55/97/189105597.db2.gz ACCZBHKJIPYXEF-LBPRGKRZSA-N 2 1 293.371 0.502 10 0 CCAEMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178312088 189105598 /nfs/dbraw/zinc/10/55/98/189105598.db2.gz ACCZBHKJIPYXEF-LBPRGKRZSA-N 2 1 293.371 0.502 10 0 CCAEMP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837577 370702577 /nfs/dbraw/zinc/70/25/77/370702577.db2.gz DAPJSJKLAFYKPP-UPJWGTAASA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@@H]1C[N@@H+](CCn2nc3ccccn3c2=O)C[C@@H]1C[NH3+] ZINC000631841653 370707590 /nfs/dbraw/zinc/70/75/90/370707590.db2.gz NMUJTXJRWBENQE-NEPJUHHUSA-N 2 1 275.356 0.023 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631843459 370710902 /nfs/dbraw/zinc/71/09/02/370710902.db2.gz OGPSMOBPQDKFAB-RVMXOQNASA-N 2 1 269.389 0.149 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631843459 370710906 /nfs/dbraw/zinc/71/09/06/370710906.db2.gz OGPSMOBPQDKFAB-RVMXOQNASA-N 2 1 269.389 0.149 10 0 CCAEMP [NH3+]C[C@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCOC1 ZINC000638109372 374675775 /nfs/dbraw/zinc/67/57/75/374675775.db2.gz ULRMUVAQXUZEGB-GXTWGEPZSA-N 2 1 267.373 0.049 10 0 CCAEMP CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CO1 ZINC000657325030 412961772 /nfs/dbraw/zinc/96/17/72/412961772.db2.gz FMTJYHXPOZKWAY-HZSPNIEDSA-N 2 1 256.390 0.990 10 0 CCAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CN2CCCC2=O)CCN1C ZINC000246318035 285014985 /nfs/dbraw/zinc/01/49/85/285014985.db2.gz AGLWLZHKRIPPOP-HZSPNIEDSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC000246318035 285014987 /nfs/dbraw/zinc/01/49/87/285014987.db2.gz AGLWLZHKRIPPOP-HZSPNIEDSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC000246318035 285014990 /nfs/dbraw/zinc/01/49/90/285014990.db2.gz AGLWLZHKRIPPOP-HZSPNIEDSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CN2CCCC2=O)CC[NH+]1C ZINC000246318035 285014993 /nfs/dbraw/zinc/01/49/93/285014993.db2.gz AGLWLZHKRIPPOP-HZSPNIEDSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000335285411 208101232 /nfs/dbraw/zinc/10/12/32/208101232.db2.gz NXKZBRFKTYVHRT-OCCSQVGLSA-N 2 1 286.395 0.814 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000335285411 208101234 /nfs/dbraw/zinc/10/12/34/208101234.db2.gz NXKZBRFKTYVHRT-OCCSQVGLSA-N 2 1 286.395 0.814 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000249742039 285138550 /nfs/dbraw/zinc/13/85/50/285138550.db2.gz JHIYMISTMBDCGE-CHWSQXEVSA-N 2 1 268.405 0.864 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000249742039 285138551 /nfs/dbraw/zinc/13/85/51/285138551.db2.gz JHIYMISTMBDCGE-CHWSQXEVSA-N 2 1 268.405 0.864 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000249742039 285138552 /nfs/dbraw/zinc/13/85/52/285138552.db2.gz JHIYMISTMBDCGE-CHWSQXEVSA-N 2 1 268.405 0.864 10 0 CCAEMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC(N)=O)C1 ZINC000195286488 389121872 /nfs/dbraw/zinc/12/18/72/389121872.db2.gz ZJRKSJFEUYSPPV-CYBMUJFWSA-N 2 1 262.357 0.321 10 0 CCAEMP CC[C@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247390492 389239210 /nfs/dbraw/zinc/23/92/10/389239210.db2.gz XBHBYXXOADRXCI-WCQYABFASA-N 2 1 271.405 0.275 10 0 CCAEMP CC[C@H](C(=O)OC)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631254 389478669 /nfs/dbraw/zinc/47/86/69/389478669.db2.gz MSHZPXYIVKWPPC-TZMCWYRMSA-N 2 1 286.416 0.963 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOCCO)CC1 ZINC000172624542 389491911 /nfs/dbraw/zinc/49/19/11/389491911.db2.gz LIKWDPQHHIOZMJ-ZDUSSCGKSA-N 2 1 274.405 0.020 10 0 CCAEMP CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000335287585 389545824 /nfs/dbraw/zinc/54/58/24/389545824.db2.gz KAUHRDZYPCYFAF-NEPJUHHUSA-N 2 1 252.362 0.226 10 0 CCAEMP CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000579355008 390164804 /nfs/dbraw/zinc/16/48/04/390164804.db2.gz SZGPYNALZREWBV-TUAOUCFPSA-N 2 1 272.414 0.480 10 0 CCAEMP CS(=O)(=O)CC1(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000579355008 390164805 /nfs/dbraw/zinc/16/48/05/390164805.db2.gz SZGPYNALZREWBV-TUAOUCFPSA-N 2 1 272.414 0.480 10 0 CCAEMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000645781485 390493528 /nfs/dbraw/zinc/49/35/28/390493528.db2.gz PZDPSPPZCUPQJA-VXGBXAGGSA-N 2 1 251.374 0.681 10 0 CCAEMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000645781485 390493531 /nfs/dbraw/zinc/49/35/31/390493531.db2.gz PZDPSPPZCUPQJA-VXGBXAGGSA-N 2 1 251.374 0.681 10 0 CCAEMP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000649311326 390569169 /nfs/dbraw/zinc/56/91/69/390569169.db2.gz IAPALSALRDJELC-RYUDHWBXSA-N 2 1 287.354 0.928 10 0 CCAEMP COC[C@]1(C(=O)NCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000649312289 390570385 /nfs/dbraw/zinc/57/03/85/390570385.db2.gz FUBCQMFXLFQENW-ZDUSSCGKSA-N 2 1 266.345 0.076 10 0 CCAEMP COCCC1(C(=O)NCC[N@@H+](C)C(C)C)CC[NH2+]CC1 ZINC000649318609 390575322 /nfs/dbraw/zinc/57/53/22/390575322.db2.gz ZJJPRTQCNPPSFF-UHFFFAOYSA-N 2 1 285.432 0.849 10 0 CCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649318491 390576344 /nfs/dbraw/zinc/57/63/44/390576344.db2.gz PCRILRMCOVZELK-RYUDHWBXSA-N 2 1 257.378 0.069 10 0 CCAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261721025 287092701 /nfs/dbraw/zinc/09/27/01/287092701.db2.gz KCYLVWHVRXVFHY-AAVRWANBSA-N 2 1 283.416 0.275 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261721025 287092704 /nfs/dbraw/zinc/09/27/04/287092704.db2.gz KCYLVWHVRXVFHY-AAVRWANBSA-N 2 1 283.416 0.275 10 0 CCAEMP [NH3+]C1CCC(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044726788 411631991 /nfs/dbraw/zinc/63/19/91/411631991.db2.gz INVJOBHFDCNAIJ-MCIGGMRASA-N 2 1 251.374 0.857 10 0 CCAEMP COc1ccc([C@@H](C[NH3+])N2CC[NH+](CCO)CC2)cc1 ZINC000020225846 171090391 /nfs/dbraw/zinc/09/03/91/171090391.db2.gz IDSTXZJNRCANEL-OAHLLOKOSA-N 2 1 279.384 0.305 10 0 CCAEMP CC[NH+]1CCN(CCCCN2CC[NH2+]CC2)CC1 ZINC000020270300 171126177 /nfs/dbraw/zinc/12/61/77/171126177.db2.gz HCNQRKXKVSJEFB-UHFFFAOYSA-N 2 1 254.422 0.309 10 0 CCAEMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)NCCCOC ZINC000020365722 171164003 /nfs/dbraw/zinc/16/40/03/171164003.db2.gz XBRYVUCYHITZTO-CYBMUJFWSA-N 2 1 273.421 0.849 10 0 CCAEMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873396 171277477 /nfs/dbraw/zinc/27/74/77/171277477.db2.gz YSXUSWMDVPQBCR-UHFFFAOYSA-N 2 1 285.775 0.903 10 0 CCAEMP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[N@@H+](C)C1CC1 ZINC000653116759 412227116 /nfs/dbraw/zinc/22/71/16/412227116.db2.gz RIEQROQSJNYCOX-FBIMIBRVSA-N 2 1 293.333 0.983 10 0 CCAEMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000653119399 412230607 /nfs/dbraw/zinc/23/06/07/412230607.db2.gz IDHHYKVGKDNVSK-UKKRHICBSA-N 2 1 293.333 0.983 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264529 414702803 /nfs/dbraw/zinc/70/28/03/414702803.db2.gz SGJRNJPMOYHUGF-MGPQQGTHSA-N 2 1 265.401 0.676 10 0 CCAEMP COCCOCCOCCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000662275711 414704529 /nfs/dbraw/zinc/70/45/29/414704529.db2.gz DLGLRZZNFJURCT-OLZOCXBDSA-N 2 1 260.378 0.335 10 0 CCAEMP COCCOCCOCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000662275711 414704530 /nfs/dbraw/zinc/70/45/30/414704530.db2.gz DLGLRZZNFJURCT-OLZOCXBDSA-N 2 1 260.378 0.335 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662852424 414841611 /nfs/dbraw/zinc/84/16/11/414841611.db2.gz KENNLPPWQYOYOW-VXGBXAGGSA-N 2 1 269.389 0.211 10 0 CCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CN[C@H]2CC[NH2+]C2)C1 ZINC000665282778 415586167 /nfs/dbraw/zinc/58/61/67/415586167.db2.gz BNHPVEZWMLMIFL-IRXDYDNUSA-N 2 1 288.439 0.754 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000071190512 176066082 /nfs/dbraw/zinc/06/60/82/176066082.db2.gz KSAPPDHGWCPIPA-OLZOCXBDSA-N 2 1 253.390 0.929 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000094460102 544544263 /nfs/dbraw/zinc/54/42/63/544544263.db2.gz CAOVLDRCFNHOIS-VXGBXAGGSA-N 2 1 251.374 0.953 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000167997054 544728536 /nfs/dbraw/zinc/72/85/36/544728536.db2.gz NDYLVUWULFIGSE-SYQHCUMBSA-N 2 1 283.416 0.417 10 0 CCAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000227432461 544834047 /nfs/dbraw/zinc/83/40/47/544834047.db2.gz HNBFCYVOBBSNIN-VXGBXAGGSA-N 2 1 271.430 0.526 10 0 CCAEMP O=C(N1CC[N@H+]2CCC[C@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223762998 544825502 /nfs/dbraw/zinc/82/55/02/544825502.db2.gz XJRVFXDGUXRCDT-CMPLNLGQSA-N 2 1 291.317 0.835 10 0 CCAEMP [NH3+]C1CCC(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000226389576 544830094 /nfs/dbraw/zinc/83/00/94/544830094.db2.gz DMCVUVSUUSEIAK-UHFFFAOYSA-N 2 1 271.430 0.669 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000249978544 544921184 /nfs/dbraw/zinc/92/11/84/544921184.db2.gz KEULMXKAVVUUQI-RYUDHWBXSA-N 2 1 257.378 0.056 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250645448 544923700 /nfs/dbraw/zinc/92/37/00/544923700.db2.gz JQJGWLRIWRXTBM-AVGNSLFASA-N 2 1 251.374 0.668 10 0 CCAEMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262098258 544939529 /nfs/dbraw/zinc/93/95/29/544939529.db2.gz IHWBNILTROLSSX-GXTWGEPZSA-N 2 1 273.336 0.610 10 0 CCAEMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)[N@@H+](C)C1 ZINC000333881898 545044020 /nfs/dbraw/zinc/04/40/20/545044020.db2.gz WIFNJDWYQJEZPB-RFGFWPKPSA-N 2 1 298.431 0.487 10 0 CCAEMP CCN(CC)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862060 276316910 /nfs/dbraw/zinc/31/69/10/276316910.db2.gz BGAUNVCXEZMVGX-AWEZNQCLSA-N 2 1 299.459 0.879 10 0 CCAEMP COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262093814 277330428 /nfs/dbraw/zinc/33/04/28/277330428.db2.gz UZBSTCGMLTZMRE-AAEUAGOBSA-N 2 1 272.414 0.967 10 0 CCAEMP COC(=O)C[C@H]1CSCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262093814 277330429 /nfs/dbraw/zinc/33/04/29/277330429.db2.gz UZBSTCGMLTZMRE-AAEUAGOBSA-N 2 1 272.414 0.967 10 0 CCAEMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000343710997 288098376 /nfs/dbraw/zinc/09/83/76/288098376.db2.gz KKFTYOZCCJCTTG-MGPQQGTHSA-N 2 1 255.406 0.373 10 0 CCAEMP C[C@H](C(=O)N(C)C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136069553 279182023 /nfs/dbraw/zinc/18/20/23/279182023.db2.gz URRIWDZTVKNACI-CABCVRRESA-N 2 1 296.459 0.565 10 0 CCAEMP C[C@H](C(=O)N(C)C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136069553 279182024 /nfs/dbraw/zinc/18/20/24/279182024.db2.gz URRIWDZTVKNACI-CABCVRRESA-N 2 1 296.459 0.565 10 0 CCAEMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000227432968 279203213 /nfs/dbraw/zinc/20/32/13/279203213.db2.gz ITDDRSFSWBKBLJ-DGCLKSJQSA-N 2 1 253.390 0.962 10 0 CCAEMP Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000108951842 280563709 /nfs/dbraw/zinc/56/37/09/280563709.db2.gz INWXXZMXJDUYKU-LBPRGKRZSA-N 2 1 250.346 0.860 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000333800356 290098809 /nfs/dbraw/zinc/09/88/09/290098809.db2.gz HQCJNOXBEZSLSX-HZSPNIEDSA-N 2 1 298.431 0.225 10 0 CCAEMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1[NH+](C)C ZINC000310939436 297022687 /nfs/dbraw/zinc/02/26/87/297022687.db2.gz KSYAEYYOLIFXIO-MRVWCRGKSA-N 2 1 255.406 0.323 10 0 CCAEMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)CC(C)(C)[NH3+])cn1 ZINC000181373607 294299887 /nfs/dbraw/zinc/29/98/87/294299887.db2.gz QLUJVSLMIXGMIF-LLVKDONJSA-N 2 1 265.361 0.020 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000389742354 545087092 /nfs/dbraw/zinc/08/70/92/545087092.db2.gz OFQSVZPEAOSORF-LLVKDONJSA-N 2 1 255.362 0.095 10 0 CCAEMP C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1[NH3+] ZINC000333542658 300139092 /nfs/dbraw/zinc/13/90/92/300139092.db2.gz JLHPHIRMORZFGD-WYTNZGFTSA-N 2 1 280.416 0.990 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384256576 336123014 /nfs/dbraw/zinc/12/30/14/336123014.db2.gz OLXZQZSNKITPKA-UONOGXRCSA-N 2 1 283.416 0.555 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@@H+]2C[C@@H](C)OC(C)(C)C2)nn1 ZINC000052543511 522146049 /nfs/dbraw/zinc/14/60/49/522146049.db2.gz HKLCBJXBSLHQSI-LLVKDONJSA-N 2 1 267.377 0.497 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@H+]2C[C@@H](C)OC(C)(C)C2)nn1 ZINC000052543511 522146057 /nfs/dbraw/zinc/14/60/57/522146057.db2.gz HKLCBJXBSLHQSI-LLVKDONJSA-N 2 1 267.377 0.497 10 0 CCAEMP CC[NH+](CC)CCc1noc([C@@H]([NH3+])CCOC)n1 ZINC000052785348 520714473 /nfs/dbraw/zinc/71/44/73/520714473.db2.gz MAVBPXOXTUQTNB-JTQLQIEISA-N 2 1 256.350 0.990 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)NCCCC[N@@H+](C)C(C)C ZINC000052810337 521941835 /nfs/dbraw/zinc/94/18/35/521941835.db2.gz WLFBCLKANPROIM-LBPRGKRZSA-N 2 1 259.394 0.587 10 0 CCAEMP CC[C@H](C)[NH+]1CCN(CC[C@H]([NH3+])C(=O)OC)CC1 ZINC000062532052 523954646 /nfs/dbraw/zinc/95/46/46/523954646.db2.gz LJJFWYDRYNVDEM-RYUDHWBXSA-N 2 1 257.378 0.293 10 0 CCAEMP C[C@H](C[NH3+])CN1CC[NH+](CCn2cccn2)CC1 ZINC000049313899 524306793 /nfs/dbraw/zinc/30/67/93/524306793.db2.gz WJTTUXFWWWCBGH-CYBMUJFWSA-N 2 1 251.378 0.096 10 0 CCAEMP NNc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]23)c[nH+]1 ZINC000051116582 527278189 /nfs/dbraw/zinc/27/81/89/527278189.db2.gz YQLSPTWAVGYJKY-WDEREUQCSA-N 2 1 261.329 0.334 10 0 CCAEMP CCn1cc(C[N@@H+]2CCCN(C(=O)C3C[NH2+]C3)CC2)cn1 ZINC000263298466 536052619 /nfs/dbraw/zinc/05/26/19/536052619.db2.gz MZIXTNLCSUJRSG-UHFFFAOYSA-N 2 1 291.399 0.157 10 0 CCAEMP CCn1cc(C[N@H+]2CCCN(C(=O)C3C[NH2+]C3)CC2)cn1 ZINC000263298466 536052623 /nfs/dbraw/zinc/05/26/23/536052623.db2.gz MZIXTNLCSUJRSG-UHFFFAOYSA-N 2 1 291.399 0.157 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1C ZINC000263267902 536802299 /nfs/dbraw/zinc/80/22/99/536802299.db2.gz RUTKPLOTRIBGAZ-STQMWFEESA-N 2 1 250.342 0.674 10 0 CCAEMP COC(=O)[C@H]1CCCCN1c1noc([C@H]([NH3+])CCC[NH3+])n1 ZINC000757121389 581695393 /nfs/dbraw/zinc/69/53/93/581695393.db2.gz NBJCIPIOPRDSDU-NXEZZACHSA-N 2 1 297.359 0.340 10 0 CCAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000262049920 631817915 /nfs/dbraw/zinc/81/79/15/631817915.db2.gz ZOHXDDNWNSKXAB-GWOFURMSSA-N 2 1 282.306 0.656 10 0 CCAEMP CN(C)c1nc(NCCN2CCC([NH3+])CC2)cc[nH+]1 ZINC000321438092 632855793 /nfs/dbraw/zinc/85/57/93/632855793.db2.gz XYDZTULCYVHDBH-UHFFFAOYSA-N 2 1 264.377 0.378 10 0 CCAEMP OCc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)cc[nH+]1 ZINC000062982152 637191715 /nfs/dbraw/zinc/19/17/15/637191715.db2.gz BTYAAVHXSQNJSI-AWEZNQCLSA-N 2 1 263.341 0.485 10 0 CCAEMP CC(C)([NH3+])Cc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000252547240 649828248 /nfs/dbraw/zinc/82/82/48/649828248.db2.gz LHEGENRUUZIQIJ-UWVGGRQHSA-N 2 1 266.345 0.885 10 0 CCAEMP CC(C)([NH3+])Cc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000252547240 649828249 /nfs/dbraw/zinc/82/82/49/649828249.db2.gz LHEGENRUUZIQIJ-UWVGGRQHSA-N 2 1 266.345 0.885 10 0 CCAEMP CC(C)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000091545115 349466438 /nfs/dbraw/zinc/46/64/38/349466438.db2.gz ISFOKWHWBCYASY-ILXRZTDVSA-N 2 1 296.459 0.502 10 0 CCAEMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH+](C)C ZINC000116467466 349870874 /nfs/dbraw/zinc/87/08/74/349870874.db2.gz CBEXUXROYNQXOA-ZFWWWQNUSA-N 2 1 290.411 0.970 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000245629719 290114081 /nfs/dbraw/zinc/11/40/81/290114081.db2.gz PTFOEAUUNXVBKC-KKUMJFAQSA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000245629719 290114083 /nfs/dbraw/zinc/11/40/83/290114083.db2.gz PTFOEAUUNXVBKC-KKUMJFAQSA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000245629719 290114085 /nfs/dbraw/zinc/11/40/85/290114085.db2.gz PTFOEAUUNXVBKC-KKUMJFAQSA-N 2 1 269.433 0.858 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054307500 348549714 /nfs/dbraw/zinc/54/97/14/348549714.db2.gz XNMBBGGJRBXMKW-STQMWFEESA-N 2 1 265.401 0.977 10 0 CCAEMP C[NH+](C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)C1CC1 ZINC000169790882 350840708 /nfs/dbraw/zinc/84/07/08/350840708.db2.gz FKADKHQAQJMTNH-UKRRQHHQSA-N 2 1 295.427 0.554 10 0 CCAEMP C[NH+](C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)C1CC1 ZINC000169790882 350840710 /nfs/dbraw/zinc/84/07/10/350840710.db2.gz FKADKHQAQJMTNH-UKRRQHHQSA-N 2 1 295.427 0.554 10 0 CCAEMP CC[NH+](CC)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171897189 350941418 /nfs/dbraw/zinc/94/14/18/350941418.db2.gz HJCSUXURCUXVHA-ZDUSSCGKSA-N 2 1 268.405 0.818 10 0 CCAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185187311 351436978 /nfs/dbraw/zinc/43/69/78/351436978.db2.gz BBRXKZFOPOSPCR-OLZOCXBDSA-N 2 1 253.346 0.399 10 0 CCAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185187311 351436982 /nfs/dbraw/zinc/43/69/82/351436982.db2.gz BBRXKZFOPOSPCR-OLZOCXBDSA-N 2 1 253.346 0.399 10 0 CCAEMP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629251 351837377 /nfs/dbraw/zinc/83/73/77/351837377.db2.gz GBYWVKXKBYODHN-HZSPNIEDSA-N 2 1 256.390 0.513 10 0 CCAEMP CC(C)COC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193629251 351837379 /nfs/dbraw/zinc/83/73/79/351837379.db2.gz GBYWVKXKBYODHN-HZSPNIEDSA-N 2 1 256.390 0.513 10 0 CCAEMP CC(C)COC[C@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193629251 351837382 /nfs/dbraw/zinc/83/73/82/351837382.db2.gz GBYWVKXKBYODHN-HZSPNIEDSA-N 2 1 256.390 0.513 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000248453862 352442078 /nfs/dbraw/zinc/44/20/78/352442078.db2.gz KCTGHEQAHJKBDW-YUTCNCBUSA-N 2 1 291.399 0.411 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000251826899 352511599 /nfs/dbraw/zinc/51/15/99/352511599.db2.gz PGYAESKANASDMX-YPMHNXCESA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1C ZINC000333423788 354758520 /nfs/dbraw/zinc/75/85/20/354758520.db2.gz SXFHTUWEOIXUQK-AGIUHOORSA-N 2 1 268.405 0.910 10 0 CCAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333669557 354773671 /nfs/dbraw/zinc/77/36/71/354773671.db2.gz YCXGCJQKTUSQQE-IHRRRGAJSA-N 2 1 298.431 0.081 10 0 CCAEMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000333012299 354744111 /nfs/dbraw/zinc/74/41/11/354744111.db2.gz BLLYTUZJONOFGQ-NEPJUHHUSA-N 2 1 262.357 0.971 10 0 CCAEMP CN1CCC[C@H]1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000333012299 354744112 /nfs/dbraw/zinc/74/41/12/354744112.db2.gz BLLYTUZJONOFGQ-NEPJUHHUSA-N 2 1 262.357 0.971 10 0 CCAEMP Cc1noc(CCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000567890453 358607505 /nfs/dbraw/zinc/60/75/05/358607505.db2.gz QKCRFSTXKRACOP-SRVKXCTJSA-N 2 1 250.346 0.980 10 0 CCAEMP CC(C)n1ccnc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000565307012 291370962 /nfs/dbraw/zinc/37/09/62/291370962.db2.gz GSWZHIYBWLGZKJ-UHFFFAOYSA-N 2 1 252.362 0.750 10 0 CCAEMP O=C([C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCC(CO)CC1 ZINC000038043015 296109140 /nfs/dbraw/zinc/10/91/40/296109140.db2.gz MVTBFZDBLZDQJB-OAHLLOKOSA-N 2 1 295.427 0.434 10 0 CCAEMP O=C([C@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC(CO)CC1 ZINC000038043015 296109142 /nfs/dbraw/zinc/10/91/42/296109142.db2.gz MVTBFZDBLZDQJB-OAHLLOKOSA-N 2 1 295.427 0.434 10 0 CCAEMP 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3 1 270.421 0.067 10 0 CCAEMP CN(CCC[NH3+])C(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188181 176062803 /nfs/dbraw/zinc/06/28/03/176062803.db2.gz YBTWDHWIUNAKMO-CYBMUJFWSA-N 3 1 270.421 0.067 10 0 CCAEMP CN(CCC[NH3+])C(=O)CC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188181 176062805 /nfs/dbraw/zinc/06/28/05/176062805.db2.gz YBTWDHWIUNAKMO-CYBMUJFWSA-N 2 1 270.421 0.067 10 0 CCAEMP CN(CCC[NH3+])C(=O)CC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188181 176062806 /nfs/dbraw/zinc/06/28/06/176062806.db2.gz YBTWDHWIUNAKMO-CYBMUJFWSA-N 2 1 270.421 0.067 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)CC1CC[NH2+]CC1 ZINC000071189558 176066033 /nfs/dbraw/zinc/06/60/33/176066033.db2.gz GKRLHNBHNBUQMB-CYBMUJFWSA-N 2 1 253.390 0.786 10 0 CCAEMP C[NH+](C)CCC[N@H+]1CC[C@@H](CN2CC[NH2+]CC2)C1 ZINC000071575945 176203167 /nfs/dbraw/zinc/20/31/67/176203167.db2.gz JNLOMOHCXNFITI-CQSZACIVSA-N 3 1 254.422 0.165 10 0 CCAEMP CN(C)CCC[N@@H+]1CC[C@@H](CN2CC[NH2+]CC2)C1 ZINC000071575945 176203169 /nfs/dbraw/zinc/20/31/69/176203169.db2.gz JNLOMOHCXNFITI-CQSZACIVSA-N 2 1 254.422 0.165 10 0 CCAEMP CN(C)CCC[N@H+]1CC[C@@H](CN2CC[NH2+]CC2)C1 ZINC000071575945 176203170 /nfs/dbraw/zinc/20/31/70/176203170.db2.gz JNLOMOHCXNFITI-CQSZACIVSA-N 2 1 254.422 0.165 10 0 CCAEMP O=c1[nH]c2ccc(C[NH2+]C[C@]3(O)CCC[NH2+]C3)cc2[nH]1 ZINC000072408869 176398600 /nfs/dbraw/zinc/39/86/00/176398600.db2.gz ZZLBVCQGRPTKGK-AWEZNQCLSA-N 2 1 276.340 0.060 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094569930 544545119 /nfs/dbraw/zinc/54/51/19/544545119.db2.gz KUKBAMQQHMWLTK-JTQLQIEISA-N 2 1 251.330 0.952 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089454372 544513367 /nfs/dbraw/zinc/51/33/67/544513367.db2.gz PFQMAKIEJGTLKO-SGMGOOAPSA-N 2 1 265.401 0.962 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250366421 544921922 /nfs/dbraw/zinc/92/19/22/544921922.db2.gz UWWHZTLXSDMCNI-UPJWGTAASA-N 2 1 253.390 0.819 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000250347690 544922359 /nfs/dbraw/zinc/92/23/59/544922359.db2.gz QRZZMLAQNMBMJH-UPJWGTAASA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C[C@H]1C[NH2+]CCO1 ZINC000251717173 544927486 /nfs/dbraw/zinc/92/74/86/544927486.db2.gz JSOZUKSUZFQGPG-HZSPNIEDSA-N 2 1 253.390 0.533 10 0 CCAEMP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000110371406 279180458 /nfs/dbraw/zinc/18/04/58/279180458.db2.gz TWQVPBSWQIWIIO-KBPBESRZSA-N 2 1 255.406 0.766 10 0 CCAEMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000261541174 279283246 /nfs/dbraw/zinc/28/32/46/279283246.db2.gz FSDBDZURPFJBRS-HIFRSBDPSA-N 2 1 291.395 0.612 10 0 CCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000261541174 279283247 /nfs/dbraw/zinc/28/32/47/279283247.db2.gz FSDBDZURPFJBRS-HIFRSBDPSA-N 2 1 291.395 0.612 10 0 CCAEMP CC[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000246732018 288257385 /nfs/dbraw/zinc/25/73/85/288257385.db2.gz YKKADAVBEBJOJC-ZFWWWQNUSA-N 2 1 297.443 0.680 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000389523318 545086699 /nfs/dbraw/zinc/08/66/99/545086699.db2.gz AAYSGAJCNBLMHB-STQMWFEESA-N 2 1 253.390 0.977 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389540350 545086984 /nfs/dbraw/zinc/08/69/84/545086984.db2.gz FQMBZDPBAPSPLH-FRRDWIJNSA-N 2 1 253.390 0.962 10 0 CCAEMP CCC[NH2+]C[C@@H]1CCN(CC[N@@H+](C)CCOC)C1 ZINC000061379316 519922249 /nfs/dbraw/zinc/92/22/49/519922249.db2.gz GTULSOQDPKKPJI-AWEZNQCLSA-N 2 1 257.422 0.886 10 0 CCAEMP Cc1ccc[nH+]c1N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180811 518191228 /nfs/dbraw/zinc/19/12/28/518191228.db2.gz CRQYQJOHCWQEBF-GFCCVEGCSA-N 2 1 262.357 0.681 10 0 CCAEMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000157873973 524915320 /nfs/dbraw/zinc/91/53/20/524915320.db2.gz GQJWKDCJRLGSNV-UMSGYPCISA-N 2 1 253.390 0.960 10 0 CCAEMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263281868 535693179 /nfs/dbraw/zinc/69/31/79/535693179.db2.gz UKUPPGDVCNCVKT-PWSUYJOCSA-N 2 1 284.429 0.659 10 0 CCAEMP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000262577342 535757702 /nfs/dbraw/zinc/75/77/02/535757702.db2.gz OXUJJBSARYDATF-OCCSQVGLSA-N 2 1 271.405 0.419 10 0 CCAEMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000261897478 535762862 /nfs/dbraw/zinc/76/28/62/535762862.db2.gz ABSOIHMGTDHPLV-KKUMJFAQSA-N 2 1 291.395 0.376 10 0 CCAEMP COc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263259618 536576618 /nfs/dbraw/zinc/57/66/18/536576618.db2.gz QTWOSDRKLVJIET-STQMWFEESA-N 2 1 280.368 0.682 10 0 CCAEMP COCCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263313382 536730511 /nfs/dbraw/zinc/73/05/11/536730511.db2.gz ZCHZSJPPPURUNK-ZIAGYGMSSA-N 2 1 280.368 0.382 10 0 CCAEMP CN1CCC([N@@H+](C)C2CCN(CC[NH3+])CC2)CC1 ZINC000260164296 570272360 /nfs/dbraw/zinc/27/23/60/570272360.db2.gz RNDQMJSUWAKXPF-UHFFFAOYSA-N 2 1 254.422 0.436 10 0 CCAEMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)C2 ZINC000888097890 614174376 /nfs/dbraw/zinc/17/43/76/614174376.db2.gz SEXNDHUWLRFQFH-APIJFGDWSA-N 2 1 293.415 0.384 10 0 CCAEMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)C2 ZINC000888097890 614174378 /nfs/dbraw/zinc/17/43/78/614174378.db2.gz SEXNDHUWLRFQFH-APIJFGDWSA-N 2 1 293.415 0.384 10 0 CCAEMP COCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000052808713 623065035 /nfs/dbraw/zinc/06/50/35/623065035.db2.gz VCOHXALWIGBPSO-VXGBXAGGSA-N 2 1 255.362 0.047 10 0 CCAEMP COCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000052808713 623065042 /nfs/dbraw/zinc/06/50/42/623065042.db2.gz VCOHXALWIGBPSO-VXGBXAGGSA-N 2 1 255.362 0.047 10 0 CCAEMP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000311579010 623763707 /nfs/dbraw/zinc/76/37/07/623763707.db2.gz ODUZZASJDUUPBX-RWMBFGLXSA-N 2 1 272.389 0.428 10 0 CCAEMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000311579010 623763725 /nfs/dbraw/zinc/76/37/25/623763725.db2.gz ODUZZASJDUUPBX-RWMBFGLXSA-N 2 1 272.389 0.428 10 0 CCAEMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000311579010 623763732 /nfs/dbraw/zinc/76/37/32/623763732.db2.gz ODUZZASJDUUPBX-RWMBFGLXSA-N 2 1 272.389 0.428 10 0 CCAEMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000311579010 623763744 /nfs/dbraw/zinc/76/37/44/623763744.db2.gz ODUZZASJDUUPBX-RWMBFGLXSA-N 2 1 272.389 0.428 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@H]2CCOC2=O)CC1 ZINC000247074147 649701928 /nfs/dbraw/zinc/70/19/28/649701928.db2.gz XCFDVAKFBLTFCY-HIFRSBDPSA-N 2 1 298.427 0.964 10 0 CCAEMP [NH3+]CCCCc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686577 649709629 /nfs/dbraw/zinc/70/96/29/649709629.db2.gz OIXMQLMSMQJFRU-MNOVXSKESA-N 2 1 266.345 0.887 10 0 CCAEMP [NH3+]CCCCc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686577 649709631 /nfs/dbraw/zinc/70/96/31/649709631.db2.gz OIXMQLMSMQJFRU-MNOVXSKESA-N 2 1 266.345 0.887 10 0 CCAEMP CC[C@H]1CN(C(=O)CCCCC[NH3+])CC[N@H+]1C[C@H](C)O ZINC000249087877 649740629 /nfs/dbraw/zinc/74/06/29/649740629.db2.gz UETMPBQLPZRBSF-KBPBESRZSA-N 2 1 285.432 0.809 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000094459723 349568482 /nfs/dbraw/zinc/56/84/82/349568482.db2.gz OWVCZPJWSLVTMW-CHWSQXEVSA-N 2 1 281.400 0.450 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000154544923 282215067 /nfs/dbraw/zinc/21/50/67/282215067.db2.gz VJLRMVAFWFCHSQ-ONGXEEELSA-N 2 1 279.344 0.239 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000154544923 282215071 /nfs/dbraw/zinc/21/50/71/282215071.db2.gz VJLRMVAFWFCHSQ-ONGXEEELSA-N 2 1 279.344 0.239 10 0 CCAEMP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000237200852 282246044 /nfs/dbraw/zinc/24/60/44/282246044.db2.gz GKGOSMCCDDFJMI-ZIAGYGMSSA-N 2 1 283.416 0.602 10 0 CCAEMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000358249644 529809713 /nfs/dbraw/zinc/80/97/13/529809713.db2.gz KRECWCBCOLLPTN-SFTQSGBHSA-N 2 1 254.374 0.456 10 0 CCAEMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000358249644 529809716 /nfs/dbraw/zinc/80/97/16/529809716.db2.gz KRECWCBCOLLPTN-SFTQSGBHSA-N 2 1 254.374 0.456 10 0 CCAEMP CCC[C@@](C)([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262509902 137045354 /nfs/dbraw/zinc/04/53/54/137045354.db2.gz BAYZJZMYFIUVKU-DZGCQCFKSA-N 2 1 285.432 0.857 10 0 CCAEMP Cn1cnc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263180971 137059566 /nfs/dbraw/zinc/05/95/66/137059566.db2.gz GUJDTVZKXCUACW-BXUZGUMPSA-N 2 1 260.341 0.243 10 0 CCAEMP CCn1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1C ZINC000263281124 137062504 /nfs/dbraw/zinc/06/25/04/137062504.db2.gz UGUGZMGMPNPIMD-YPMHNXCESA-N 2 1 252.362 0.190 10 0 CCAEMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CC[NH+](C)C1 ZINC000310919054 137073133 /nfs/dbraw/zinc/07/31/33/137073133.db2.gz GVBIRJKJMAEACL-GXTWGEPZSA-N 2 1 255.406 0.325 10 0 CCAEMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1CC[N@H+](C)C1 ZINC000310919054 137073134 /nfs/dbraw/zinc/07/31/34/137073134.db2.gz GVBIRJKJMAEACL-GXTWGEPZSA-N 2 1 255.406 0.325 10 0 CCAEMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1CC[N@@H+](C)C1 ZINC000310919054 137073135 /nfs/dbraw/zinc/07/31/35/137073135.db2.gz GVBIRJKJMAEACL-GXTWGEPZSA-N 2 1 255.406 0.325 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000054307974 348549332 /nfs/dbraw/zinc/54/93/32/348549332.db2.gz TXLJWMOFVZQARW-QWHCGFSZSA-N 2 1 251.374 0.683 10 0 CCAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(CCC[NH3+])CC2)C1 ZINC000080749508 349227526 /nfs/dbraw/zinc/22/75/26/349227526.db2.gz VAMIGIAPTJHETK-OAHLLOKOSA-N 2 1 284.448 0.062 10 0 CCAEMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088370560 349362770 /nfs/dbraw/zinc/36/27/70/349362770.db2.gz SCMYPLPYXGPUBR-ZDUSSCGKSA-N 2 1 269.389 0.306 10 0 CCAEMP C(CN1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000173652308 351048031 /nfs/dbraw/zinc/04/80/31/351048031.db2.gz HEFQSYHIYLCIDQ-AWEZNQCLSA-N 2 1 253.390 0.489 10 0 CCAEMP C(CN1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000173652308 351048033 /nfs/dbraw/zinc/04/80/33/351048033.db2.gz HEFQSYHIYLCIDQ-AWEZNQCLSA-N 2 1 253.390 0.489 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000193129671 351812590 /nfs/dbraw/zinc/81/25/90/351812590.db2.gz KFXKVDHQPNEIAI-RDBSUJKOSA-N 2 1 283.416 0.696 10 0 CCAEMP C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000237442578 352264783 /nfs/dbraw/zinc/26/47/83/352264783.db2.gz KDJUOYDRGUYVRX-GHMZBOCLSA-N 2 1 257.378 0.067 10 0 CCAEMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237959709 352290801 /nfs/dbraw/zinc/29/08/01/352290801.db2.gz JCGHNYOZYCPWBM-KBPBESRZSA-N 2 1 281.400 0.309 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000246736956 352381253 /nfs/dbraw/zinc/38/12/53/352381253.db2.gz AUNHAAHOUQODSG-RDBSUJKOSA-N 2 1 283.416 0.552 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000246736956 352381255 /nfs/dbraw/zinc/38/12/55/352381255.db2.gz AUNHAAHOUQODSG-RDBSUJKOSA-N 2 1 283.416 0.552 10 0 CCAEMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000246736956 352381258 /nfs/dbraw/zinc/38/12/58/352381258.db2.gz AUNHAAHOUQODSG-RDBSUJKOSA-N 2 1 283.416 0.552 10 0 CCAEMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000246736956 352381260 /nfs/dbraw/zinc/38/12/60/352381260.db2.gz AUNHAAHOUQODSG-RDBSUJKOSA-N 2 1 283.416 0.552 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000247241066 352405834 /nfs/dbraw/zinc/40/58/34/352405834.db2.gz ZYJFBMGOWPYXRF-HUUCEWRRSA-N 2 1 289.383 0.914 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000247241066 352405835 /nfs/dbraw/zinc/40/58/35/352405835.db2.gz ZYJFBMGOWPYXRF-HUUCEWRRSA-N 2 1 289.383 0.914 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000250641084 352507256 /nfs/dbraw/zinc/50/72/56/352507256.db2.gz TWKYXMIIAPCSGU-YNEHKIRRSA-N 2 1 251.374 0.539 10 0 CCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000300409205 354064469 /nfs/dbraw/zinc/06/44/69/354064469.db2.gz PDLIMOLZEABOFF-QJPTWQEYSA-N 2 1 257.378 0.210 10 0 CCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000324483756 354230976 /nfs/dbraw/zinc/23/09/76/354230976.db2.gz JPWNJZWTLSYFKX-QWHCGFSZSA-N 2 1 258.406 0.830 10 0 CCAEMP OC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000409434396 358112559 /nfs/dbraw/zinc/11/25/59/358112559.db2.gz OZTTUUVLBSBZFT-WPRPVWTQSA-N 2 1 252.280 0.841 10 0 CCAEMP OC[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000409434396 358112564 /nfs/dbraw/zinc/11/25/64/358112564.db2.gz OZTTUUVLBSBZFT-WPRPVWTQSA-N 2 1 252.280 0.841 10 0 CCAEMP CCc1nnc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1C ZINC000564454256 291280770 /nfs/dbraw/zinc/28/07/70/291280770.db2.gz QIVGMXKEAKKKRW-SNVBAGLBSA-N 2 1 251.378 0.937 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631838280 370704659 /nfs/dbraw/zinc/70/46/59/370704659.db2.gz LKWYZIFYKYYNIZ-UPJWGTAASA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631838280 370704664 /nfs/dbraw/zinc/70/46/64/370704664.db2.gz LKWYZIFYKYYNIZ-UPJWGTAASA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)C[C@@H]1C[NH3+] ZINC000631844165 370709976 /nfs/dbraw/zinc/70/99/76/370709976.db2.gz VNCWXOURVLAHLW-NEPJUHHUSA-N 2 1 272.352 0.721 10 0 CCAEMP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000334128654 206036677 /nfs/dbraw/zinc/03/66/77/206036677.db2.gz RPGXSIDGZKPJPI-STQMWFEESA-N 2 1 291.399 0.839 10 0 CCAEMP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000334128654 206036678 /nfs/dbraw/zinc/03/66/78/206036678.db2.gz RPGXSIDGZKPJPI-STQMWFEESA-N 2 1 291.399 0.839 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638079030 374636561 /nfs/dbraw/zinc/63/65/61/374636561.db2.gz JQJHAKMPEZTXBM-OCCSQVGLSA-N 2 1 269.389 0.342 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638110040 374678772 /nfs/dbraw/zinc/67/87/72/374678772.db2.gz ZMUZCSVJVJAKIB-SDDRHHMPSA-N 2 1 255.362 0.045 10 0 CCAEMP O=C1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CN1 ZINC000261968720 284810599 /nfs/dbraw/zinc/81/05/99/284810599.db2.gz QHJYTFXJJBEDHX-UMSGYPCISA-N 2 1 267.373 0.012 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000334954686 207349185 /nfs/dbraw/zinc/34/91/85/207349185.db2.gz CXFCEVRQJCMCFX-WCQYABFASA-N 2 1 266.389 0.617 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000247118819 285043144 /nfs/dbraw/zinc/04/31/44/285043144.db2.gz UJEYXHPPEXYYDZ-RWMBFGLXSA-N 2 1 271.405 0.240 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000247118819 285043146 /nfs/dbraw/zinc/04/31/46/285043146.db2.gz UJEYXHPPEXYYDZ-RWMBFGLXSA-N 2 1 271.405 0.240 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000185230207 388794031 /nfs/dbraw/zinc/79/40/31/388794031.db2.gz VYCFNGGXOAILPU-CHWSQXEVSA-N 2 1 298.431 0.177 10 0 CCAEMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000358249643 389144696 /nfs/dbraw/zinc/14/46/96/389144696.db2.gz KRECWCBCOLLPTN-OPDFLTKYSA-N 2 1 254.374 0.456 10 0 CCAEMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000358249643 389144698 /nfs/dbraw/zinc/14/46/98/389144698.db2.gz KRECWCBCOLLPTN-OPDFLTKYSA-N 2 1 254.374 0.456 10 0 CCAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625817 389214978 /nfs/dbraw/zinc/21/49/78/389214978.db2.gz OYPRYFJTDWXIFC-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625817 389214980 /nfs/dbraw/zinc/21/49/80/389214980.db2.gz OYPRYFJTDWXIFC-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625817 389214982 /nfs/dbraw/zinc/21/49/82/389214982.db2.gz OYPRYFJTDWXIFC-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP CCc1cc(NC[C@H]2C[NH2+]CCCO2)nc(C)[nH+]1 ZINC000333592657 389432984 /nfs/dbraw/zinc/43/29/84/389432984.db2.gz SXHKQYGVTHQBQC-GFCCVEGCSA-N 2 1 250.346 0.560 10 0 CCAEMP CC[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000178775032 389622242 /nfs/dbraw/zinc/62/22/42/389622242.db2.gz IFCAZEIARMIWAO-VXGBXAGGSA-N 2 1 271.405 0.417 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000399197067 389789349 /nfs/dbraw/zinc/78/93/49/389789349.db2.gz LWWHDOUNFFDMFT-NWDGAFQWSA-N 2 1 251.374 0.681 10 0 CCAEMP CN1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000657695931 413050272 /nfs/dbraw/zinc/05/02/72/413050272.db2.gz QKAVVIUAXIDRMD-AVGNSLFASA-N 2 1 251.374 0.681 10 0 CCAEMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000192101351 130370451 /nfs/dbraw/zinc/37/04/51/130370451.db2.gz AZVGDCPAJNFJPZ-FRRDWIJNSA-N 2 1 283.416 0.681 10 0 CCAEMP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799512 397386101 /nfs/dbraw/zinc/38/61/01/397386101.db2.gz VAPWUSAIPJVQSX-KBPBESRZSA-N 2 1 281.400 0.309 10 0 CCAEMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000020303232 171140516 /nfs/dbraw/zinc/14/05/16/171140516.db2.gz IWDFCYANQXEQPC-SNVBAGLBSA-N 2 1 258.366 0.152 10 0 CCAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCNS(C)(=O)=O)C1 ZINC000037221744 173042491 /nfs/dbraw/zinc/04/24/91/173042491.db2.gz WIQUDLOLLNVAEC-CHWSQXEVSA-N 2 1 291.461 0.636 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000071189608 176065931 /nfs/dbraw/zinc/06/59/31/176065931.db2.gz JSGJNLDXQHDESY-TZMCWYRMSA-N 2 1 253.390 0.786 10 0 CCAEMP C[N@@H+](CCCC[C@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[NH+](C)C1 ZINC000071190887 176069018 /nfs/dbraw/zinc/06/90/18/176069018.db2.gz WFNIXIXLXVWZBK-JSGCOSHPSA-N 2 1 271.405 0.842 10 0 CCAEMP C[NH+](CCCC[C@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[N@H+](C)C1 ZINC000071190887 176069019 /nfs/dbraw/zinc/06/90/19/176069019.db2.gz WFNIXIXLXVWZBK-JSGCOSHPSA-N 2 1 271.405 0.842 10 0 CCAEMP C[NH+](CCCC[C@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190887 176069021 /nfs/dbraw/zinc/06/90/21/176069021.db2.gz WFNIXIXLXVWZBK-JSGCOSHPSA-N 2 1 271.405 0.842 10 0 CCAEMP CCN1CCN([C@H](CC[NH3+])C[NH+]2CCCCC2)CC1 ZINC000076705781 177065621 /nfs/dbraw/zinc/06/56/21/177065621.db2.gz IHDKRIWZTPQNMA-OAHLLOKOSA-N 2 1 268.449 0.827 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000235286381 544874245 /nfs/dbraw/zinc/87/42/45/544874245.db2.gz CSAPQLQGHVTLLD-MGPQQGTHSA-N 2 1 281.400 0.165 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250643841 544924242 /nfs/dbraw/zinc/92/42/42/544924242.db2.gz UOYRYBCWYNIUPI-FRRDWIJNSA-N 2 1 253.390 0.819 10 0 CCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261674765 544936822 /nfs/dbraw/zinc/93/68/22/544936822.db2.gz GKAAYRRAGHEKPL-MGPQQGTHSA-N 2 1 283.416 0.588 10 0 CCAEMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262141957 544941908 /nfs/dbraw/zinc/94/19/08/544941908.db2.gz PURPIEXBRVVIMO-XJKSGUPXSA-N 2 1 286.379 0.851 10 0 CCAEMP Cn1cc([C@H]2CCC[N@@H+]2C[C@@H]2CNCCO2)cn1 ZINC000311129855 545012181 /nfs/dbraw/zinc/01/21/81/545012181.db2.gz WHNCHXXKGOKQQQ-QWHCGFSZSA-N 2 1 250.346 0.545 10 0 CCAEMP Cn1cc([C@H]2CCC[N@H+]2C[C@@H]2CNCCO2)cn1 ZINC000311129855 545012183 /nfs/dbraw/zinc/01/21/83/545012183.db2.gz WHNCHXXKGOKQQQ-QWHCGFSZSA-N 2 1 250.346 0.545 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)CC1 ZINC000038042950 276381234 /nfs/dbraw/zinc/38/12/34/276381234.db2.gz QKRXOXYCCFCBEW-HNNXBMFYSA-N 2 1 294.443 0.367 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1C ZINC000333898321 278292039 /nfs/dbraw/zinc/29/20/39/278292039.db2.gz ZLFOWHLUXYYOHX-IGQOVBAYSA-N 2 1 298.431 0.223 10 0 CCAEMP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000335120208 280138201 /nfs/dbraw/zinc/13/82/01/280138201.db2.gz UBKMGIAVPQHVEQ-WDEREUQCSA-N 2 1 273.327 0.538 10 0 CCAEMP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335120208 280138205 /nfs/dbraw/zinc/13/82/05/280138205.db2.gz UBKMGIAVPQHVEQ-WDEREUQCSA-N 2 1 273.327 0.538 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000333777738 290101108 /nfs/dbraw/zinc/10/11/08/290101108.db2.gz DFAMYEZFXIRXFY-IHRRRGAJSA-N 2 1 298.431 0.225 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000389615543 545086754 /nfs/dbraw/zinc/08/67/54/545086754.db2.gz ZEILJXXODOEVQT-CYBMUJFWSA-N 2 1 282.432 0.271 10 0 CCAEMP CCO[C@@H]1CCC[N@@H+](CCn2cc(C[NH3+])nn2)C1 ZINC000052372231 520320160 /nfs/dbraw/zinc/32/01/60/520320160.db2.gz HUZVJMJOWAFWMF-GFCCVEGCSA-N 2 1 253.350 0.238 10 0 CCAEMP C[NH+](C)CCN1CC[NH+](C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000061653811 521764958 /nfs/dbraw/zinc/76/49/58/521764958.db2.gz ZXGRIUPEWJVBLH-HUUCEWRRSA-N 3 1 268.449 0.683 10 0 CCAEMP CC[NH+]1CCC([N@H+](C)CC[C@@H](NC)C(=O)OC)CC1 ZINC000062463026 521560152 /nfs/dbraw/zinc/56/01/52/521560152.db2.gz QDYILHNNVZDNSG-CYBMUJFWSA-N 2 1 271.405 0.554 10 0 CCAEMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](NC)C(=O)OC)CC1 ZINC000062463026 521560156 /nfs/dbraw/zinc/56/01/56/521560156.db2.gz QDYILHNNVZDNSG-CYBMUJFWSA-N 2 1 271.405 0.554 10 0 CCAEMP COCCCNC(=O)[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049557584 523356726 /nfs/dbraw/zinc/35/67/26/523356726.db2.gz PWDADPWBYLWGHM-NEPJUHHUSA-N 2 1 259.394 0.457 10 0 CCAEMP O[C@H](C[NH2+][C@H]1CO[C@H](C2CC2)C1)C[NH+]1CCCCC1 ZINC000667797912 545156330 /nfs/dbraw/zinc/15/63/30/545156330.db2.gz AQWSXCAOFIXBPZ-KFWWJZLASA-N 2 1 268.401 0.990 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188738938 535535765 /nfs/dbraw/zinc/53/57/65/535535765.db2.gz SETYIMONKLDBAW-SNVBAGLBSA-N 2 1 277.372 0.270 10 0 CCAEMP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1C ZINC000263204778 535624112 /nfs/dbraw/zinc/62/41/12/535624112.db2.gz JOYGBHGQNUQVAN-TZMCWYRMSA-N 2 1 266.389 0.580 10 0 CCAEMP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399276773 581208972 /nfs/dbraw/zinc/20/89/72/581208972.db2.gz VZFQWSDLVQLFTN-GFCCVEGCSA-N 2 1 252.362 0.318 10 0 CCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311018891 633200938 /nfs/dbraw/zinc/20/09/38/633200938.db2.gz QPZWKKRCKBEGIZ-MJBXVCDLSA-N 2 1 256.390 0.833 10 0 CCAEMP C[C@H]1CN(C(=O)CCCCC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000155819796 649293320 /nfs/dbraw/zinc/29/33/20/649293320.db2.gz JSKBASRHIJOCSW-KBPBESRZSA-N 2 1 283.416 0.685 10 0 CCAEMP CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000094085738 649739408 /nfs/dbraw/zinc/73/94/08/649739408.db2.gz NNFLBIVLBHCQRG-LBPRGKRZSA-N 2 1 275.418 0.142 10 0 CCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090798879 349443857 /nfs/dbraw/zinc/44/38/57/349443857.db2.gz PRKPHWJYXGYSDS-UPJWGTAASA-N 2 1 289.445 0.340 10 0 CCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)C2 ZINC000335187903 282178285 /nfs/dbraw/zinc/17/82/85/282178285.db2.gz QPAVYKOCDVVXGR-LBPRGKRZSA-N 2 1 276.384 0.964 10 0 CCAEMP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCCCO)CC1 ZINC000103230692 349693662 /nfs/dbraw/zinc/69/36/62/349693662.db2.gz WXFODSBCQKTCRQ-UHFFFAOYSA-N 2 1 283.416 0.389 10 0 CCAEMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000105269523 349721329 /nfs/dbraw/zinc/72/13/29/349721329.db2.gz NJAMLIJDTHDSAZ-YPMHNXCESA-N 2 1 268.405 0.815 10 0 CCAEMP CCNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918626 349728995 /nfs/dbraw/zinc/72/89/95/349728995.db2.gz SDEQQAQMYKXUGM-UHFFFAOYSA-N 2 1 264.373 0.811 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000245629721 290113839 /nfs/dbraw/zinc/11/38/39/290113839.db2.gz PTFOEAUUNXVBKC-SOUVJXGZSA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000245629721 290113845 /nfs/dbraw/zinc/11/38/45/290113845.db2.gz PTFOEAUUNXVBKC-SOUVJXGZSA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000245629721 290113849 /nfs/dbraw/zinc/11/38/49/290113849.db2.gz PTFOEAUUNXVBKC-SOUVJXGZSA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](C[NH3+])C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000262478140 137044572 /nfs/dbraw/zinc/04/45/72/137044572.db2.gz ZESZZAJEUFAQGZ-NEPJUHHUSA-N 2 1 269.389 0.293 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000263253598 137061643 /nfs/dbraw/zinc/06/16/43/137061643.db2.gz QEBAWJAIEZVOKW-KWQFWETISA-N 2 1 260.259 0.774 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2cccs2)n1 ZINC000263251164 137061860 /nfs/dbraw/zinc/06/18/60/137061860.db2.gz PZGGSMGYYPCMJC-CMPLNLGQSA-N 2 1 292.408 0.819 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000263263015 137062034 /nfs/dbraw/zinc/06/20/34/137062034.db2.gz REEJVTQXGGIIHQ-JSGCOSHPSA-N 2 1 272.352 0.747 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000263290090 137063166 /nfs/dbraw/zinc/06/31/66/137063166.db2.gz VNOJAEKADGQRQY-IUODEOHRSA-N 2 1 272.352 0.542 10 0 CCAEMP C[C@H](CNC(=O)C1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000263303521 137063626 /nfs/dbraw/zinc/06/36/26/137063626.db2.gz NXPYFHXNPAGJIZ-GFCCVEGCSA-N 2 1 261.369 0.843 10 0 CCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)CC1 ZINC000305770371 137070780 /nfs/dbraw/zinc/07/07/80/137070780.db2.gz XQTYRYJTKCXCDW-JSGCOSHPSA-N 2 1 283.416 0.290 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000040805988 348242548 /nfs/dbraw/zinc/24/25/48/348242548.db2.gz TUDZNAQMHYCSMZ-QJPTWQEYSA-N 2 1 281.356 0.375 10 0 CCAEMP C[NH2+][C@@](C)(CCC[N@@H+](C)C[C@@H]1CCCOC1)C(N)=O ZINC000104189192 185921267 /nfs/dbraw/zinc/92/12/67/185921267.db2.gz PCCDFSBUVGMGAO-JSGCOSHPSA-N 2 1 271.405 0.588 10 0 CCAEMP C[C@@H]1C[N@H+](CCC(=O)NC[C@@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000067804287 348785574 /nfs/dbraw/zinc/78/55/74/348785574.db2.gz XDGXVRHPYKZBLH-MJBXVCDLSA-N 2 1 283.416 0.554 10 0 CCAEMP C[C@@H]1C[NH+](CCC(=O)NC[C@@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000067804287 348785582 /nfs/dbraw/zinc/78/55/82/348785582.db2.gz XDGXVRHPYKZBLH-MJBXVCDLSA-N 2 1 283.416 0.554 10 0 CCAEMP C[C@@H]1C[NH+](CCC(=O)NC[C@@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000067804287 348785586 /nfs/dbraw/zinc/78/55/86/348785586.db2.gz XDGXVRHPYKZBLH-MJBXVCDLSA-N 2 1 283.416 0.554 10 0 CCAEMP CCC[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC000161527731 350724033 /nfs/dbraw/zinc/72/40/33/350724033.db2.gz MQYKNVOCEWDVDP-CYBMUJFWSA-N 2 1 298.431 0.043 10 0 CCAEMP O=C(CNc1cc[nH+]cc1Br)N1CC[NH2+]CC1 ZINC000163939145 350774987 /nfs/dbraw/zinc/77/49/87/350774987.db2.gz HHTZPFWTGYMHJI-UHFFFAOYSA-N 2 1 299.172 0.688 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000165907339 350793779 /nfs/dbraw/zinc/79/37/79/350793779.db2.gz YPNGZBPRAUELAC-KGLIPLIRSA-N 2 1 295.427 0.840 10 0 CCAEMP C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1cccnc1 ZINC000169793214 350840823 /nfs/dbraw/zinc/84/08/23/350840823.db2.gz WXEQZZRHUBXBAG-UONOGXRCSA-N 2 1 276.384 0.405 10 0 CCAEMP CC[N@@H+](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)C1CC1 ZINC000170836414 350867123 /nfs/dbraw/zinc/86/71/23/350867123.db2.gz NYOGOSDIRBNHTL-ZDUSSCGKSA-N 2 1 268.405 0.816 10 0 CCAEMP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000178861293 351249754 /nfs/dbraw/zinc/24/97/54/351249754.db2.gz ZTIKTSZWLYOTSP-UKRRQHHQSA-N 2 1 295.427 0.555 10 0 CCAEMP COCCOCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182889935 351371399 /nfs/dbraw/zinc/37/13/99/351371399.db2.gz LKDYICUXKXOQHO-MRXNPFEDSA-N 2 1 299.459 0.751 10 0 CCAEMP COCCOCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182889935 351371403 /nfs/dbraw/zinc/37/14/03/351371403.db2.gz LKDYICUXKXOQHO-MRXNPFEDSA-N 2 1 299.459 0.751 10 0 CCAEMP [NH3+]Cc1nc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cs1 ZINC000186506632 351499374 /nfs/dbraw/zinc/49/93/74/351499374.db2.gz GKLBEMIXGOMNIZ-SECBINFHSA-N 2 1 280.397 0.958 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247235823 352405765 /nfs/dbraw/zinc/40/57/65/352405765.db2.gz RSLHVEUQTRUGNQ-CABCVRRESA-N 2 1 294.443 0.319 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000247235823 352405766 /nfs/dbraw/zinc/40/57/66/352405766.db2.gz RSLHVEUQTRUGNQ-CABCVRRESA-N 2 1 294.443 0.319 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247239277 352405789 /nfs/dbraw/zinc/40/57/89/352405789.db2.gz XSCFMUJHPVSMIJ-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247239277 352405790 /nfs/dbraw/zinc/40/57/90/352405790.db2.gz XSCFMUJHPVSMIJ-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247239277 352405791 /nfs/dbraw/zinc/40/57/91/352405791.db2.gz XSCFMUJHPVSMIJ-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000312824598 354210513 /nfs/dbraw/zinc/21/05/13/354210513.db2.gz UBHQBKYPBKUOHC-ZNMIVQPWSA-N 2 1 285.432 0.094 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH+](C)CC2CC2)C1 ZINC000328655574 354245860 /nfs/dbraw/zinc/24/58/60/354245860.db2.gz YMFURVJPPJDPBK-HNNXBMFYSA-N 2 1 297.443 0.896 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328655574 354245864 /nfs/dbraw/zinc/24/58/64/354245864.db2.gz YMFURVJPPJDPBK-HNNXBMFYSA-N 2 1 297.443 0.896 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000328655574 354245869 /nfs/dbraw/zinc/24/58/69/354245869.db2.gz YMFURVJPPJDPBK-HNNXBMFYSA-N 2 1 297.443 0.896 10 0 CCAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000333911334 354814844 /nfs/dbraw/zinc/81/48/44/354814844.db2.gz FCMKZKGVJQKLND-UPJWGTAASA-N 2 1 268.405 0.707 10 0 CCAEMP C[C@@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CCCC[NH2+]1 ZINC000336221648 213048365 /nfs/dbraw/zinc/04/83/65/213048365.db2.gz AMEGOKFOQBJJQB-STQMWFEESA-N 2 1 257.353 0.679 10 0 CCAEMP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178316051 189105901 /nfs/dbraw/zinc/10/59/01/189105901.db2.gz ZXQIWDXTEQXMTR-GFCCVEGCSA-N 2 1 293.371 0.502 10 0 CCAEMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178316051 189105902 /nfs/dbraw/zinc/10/59/02/189105902.db2.gz ZXQIWDXTEQXMTR-GFCCVEGCSA-N 2 1 293.371 0.502 10 0 CCAEMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCC[NH2+]1 ZINC000252769040 291362779 /nfs/dbraw/zinc/36/27/79/291362779.db2.gz HHABURYOWDPAAR-KCQAQPDRSA-N 2 1 281.400 0.498 10 0 CCAEMP C[C@]1(C[N@H+]2CC[C@H](N3CCOCC3)C2)CC[NH2+]C1 ZINC000110371504 291380747 /nfs/dbraw/zinc/38/07/47/291380747.db2.gz XIUIIPKTTBDNAN-KBPBESRZSA-N 2 1 253.390 0.393 10 0 CCAEMP CC(C)S(=O)(=O)CCC[N@H+](C)CCOCC[NH3+] ZINC000629578964 369721017 /nfs/dbraw/zinc/72/10/17/369721017.db2.gz OEIIMANLXFSKBL-UHFFFAOYSA-N 2 1 266.407 0.107 10 0 CCAEMP CC(C)S(=O)(=O)CCC[N@@H+](C)CCOCC[NH3+] ZINC000629578964 369721022 /nfs/dbraw/zinc/72/10/22/369721022.db2.gz OEIIMANLXFSKBL-UHFFFAOYSA-N 2 1 266.407 0.107 10 0 CCAEMP O=C1[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCN1C1CCC1 ZINC000629674177 369753124 /nfs/dbraw/zinc/75/31/24/369753124.db2.gz XSKGQIDBMGQCQJ-DGCLKSJQSA-N 2 1 251.374 0.729 10 0 CCAEMP COc1c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(C)nn1C ZINC000634998430 372335841 /nfs/dbraw/zinc/33/58/41/372335841.db2.gz FNSDMFYPETVWEQ-ONGXEEELSA-N 2 1 252.362 0.764 10 0 CCAEMP COc1c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(C)nn1C ZINC000634998430 372335848 /nfs/dbraw/zinc/33/58/48/372335848.db2.gz FNSDMFYPETVWEQ-ONGXEEELSA-N 2 1 252.362 0.764 10 0 CCAEMP [NH3+]C[C@@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCOC1 ZINC000638109373 374675316 /nfs/dbraw/zinc/67/53/16/374675316.db2.gz ULRMUVAQXUZEGB-JSGCOSHPSA-N 2 1 267.373 0.049 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638109294 374676187 /nfs/dbraw/zinc/67/61/87/374676187.db2.gz TUDLYLFIIQNSTK-VNHYZAJKSA-N 2 1 283.416 0.696 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638114885 374680762 /nfs/dbraw/zinc/68/07/62/374680762.db2.gz CKJPKIRLZAYBGX-BZPMIXESSA-N 2 1 267.373 0.060 10 0 CCAEMP O=C([C@H]1COCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000088371289 284577321 /nfs/dbraw/zinc/57/73/21/284577321.db2.gz UABPGRAJKZJCJE-CYBMUJFWSA-N 2 1 267.373 0.062 10 0 CCAEMP Cc1[nH+]cc(CNC[C@@H](O)C[NH+]2CCCCC2)n1C ZINC000657325587 412960035 /nfs/dbraw/zinc/96/00/35/412960035.db2.gz KDQHNIOVLVWRJB-CQSZACIVSA-N 2 1 266.389 0.665 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000040635665 388854471 /nfs/dbraw/zinc/85/44/71/388854471.db2.gz LENLVROUYCLDCR-JHJVBQTASA-N 2 1 267.373 0.060 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000040635665 388854476 /nfs/dbraw/zinc/85/44/76/388854476.db2.gz LENLVROUYCLDCR-JHJVBQTASA-N 2 1 267.373 0.060 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@H+]1C[C@H](C)O ZINC000245564289 389213247 /nfs/dbraw/zinc/21/32/47/389213247.db2.gz WGFQBPBHBIOOQJ-AAEUAGOBSA-N 2 1 269.389 0.042 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000132283280 389222854 /nfs/dbraw/zinc/22/28/54/389222854.db2.gz VROKIYUOFMPWLD-LSDHHAIUSA-N 2 1 269.433 0.859 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000334345764 389469139 /nfs/dbraw/zinc/46/91/39/389469139.db2.gz VGXYKYMETCCARR-OLZOCXBDSA-N 2 1 266.389 0.570 10 0 CCAEMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000334345764 389469142 /nfs/dbraw/zinc/46/91/42/389469142.db2.gz VGXYKYMETCCARR-OLZOCXBDSA-N 2 1 266.389 0.570 10 0 CCAEMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000334345764 389469146 /nfs/dbraw/zinc/46/91/46/389469146.db2.gz VGXYKYMETCCARR-OLZOCXBDSA-N 2 1 266.389 0.570 10 0 CCAEMP O[C@@]1(CN[C@H]2CC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422980756 389516273 /nfs/dbraw/zinc/51/62/73/389516273.db2.gz QXLUGGHCXWXGBX-JKSUJKDBSA-N 2 1 275.396 0.575 10 0 CCAEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1C[NH2+]C1 ZINC000335378888 389551630 /nfs/dbraw/zinc/55/16/30/389551630.db2.gz QBQKLVYEGPXJHK-NEPJUHHUSA-N 2 1 252.362 0.226 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCN(C)CC2)CCS1 ZINC000180473538 389670955 /nfs/dbraw/zinc/67/09/55/389670955.db2.gz GGQWWBIZAPPSPL-LLVKDONJSA-N 2 1 257.403 0.198 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)CCS1 ZINC000180473538 389670959 /nfs/dbraw/zinc/67/09/59/389670959.db2.gz GGQWWBIZAPPSPL-LLVKDONJSA-N 2 1 257.403 0.198 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649277320 390545264 /nfs/dbraw/zinc/54/52/64/390545264.db2.gz UUJUQYWDBGHOEK-OCCSQVGLSA-N 2 1 269.389 0.356 10 0 CCAEMP COC[C@]1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000649311354 390569578 /nfs/dbraw/zinc/56/95/78/390569578.db2.gz JRXKDOJQCDNCES-ZFWWWQNUSA-N 2 1 281.400 0.452 10 0 CCAEMP COC[C@]1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000649311354 390569582 /nfs/dbraw/zinc/56/95/82/390569582.db2.gz JRXKDOJQCDNCES-ZFWWWQNUSA-N 2 1 281.400 0.452 10 0 CCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649318450 390576399 /nfs/dbraw/zinc/57/63/99/390576399.db2.gz LRPVDSOXDSEEIT-GXTWGEPZSA-N 2 1 271.405 0.602 10 0 CCAEMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000300409067 411743179 /nfs/dbraw/zinc/74/31/79/411743179.db2.gz ITDDRSFSWBKBLJ-WCQYABFASA-N 2 1 253.390 0.962 10 0 CCAEMP C[N@H+]1CCCN([C@@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC000020442327 171205024 /nfs/dbraw/zinc/20/50/24/171205024.db2.gz YMWPKDYDHPBGEO-AWEZNQCLSA-N 2 1 252.406 0.047 10 0 CCAEMP C[N@@H+]1CCCN([C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC000020442327 171205027 /nfs/dbraw/zinc/20/50/27/171205027.db2.gz YMWPKDYDHPBGEO-AWEZNQCLSA-N 3 1 252.406 0.047 10 0 CCAEMP C[N@H+]1CCCN([C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC000020442327 171205028 /nfs/dbraw/zinc/20/50/28/171205028.db2.gz YMWPKDYDHPBGEO-AWEZNQCLSA-N 3 1 252.406 0.047 10 0 CCAEMP COCC[N@H+](CCC(N)=[NH2+])CCc1cccnc1 ZINC000071228982 176090964 /nfs/dbraw/zinc/09/09/64/176090964.db2.gz OARNGVPQQBGMCD-UHFFFAOYSA-N 2 1 250.346 0.899 10 0 CCAEMP COCC[N@@H+](CCC(N)=[NH2+])CCc1cccnc1 ZINC000071228982 176090965 /nfs/dbraw/zinc/09/09/65/176090965.db2.gz OARNGVPQQBGMCD-UHFFFAOYSA-N 2 1 250.346 0.899 10 0 CCAEMP CN(C)C(=O)C[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000071250268 176094960 /nfs/dbraw/zinc/09/49/60/176094960.db2.gz HXFNFTXSRZZEOU-UHFFFAOYSA-N 2 1 253.321 0.804 10 0 CCAEMP CN(C)C(=O)C[N@@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000071250268 176094962 /nfs/dbraw/zinc/09/49/62/176094962.db2.gz HXFNFTXSRZZEOU-UHFFFAOYSA-N 2 1 253.321 0.804 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000136375610 544639428 /nfs/dbraw/zinc/63/94/28/544639428.db2.gz OBACBFAMZHAIKC-UONOGXRCSA-N 2 1 283.416 0.683 10 0 CCAEMP NC(=O)c1c[nH+]ccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000184058196 544771347 /nfs/dbraw/zinc/77/13/47/544771347.db2.gz AVONNVCOYJAAMY-LLVKDONJSA-N 2 1 278.356 0.439 10 0 CCAEMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000237143369 289285240 /nfs/dbraw/zinc/28/52/40/289285240.db2.gz GKGOSMCCDDFJMI-KBPBESRZSA-N 2 1 283.416 0.602 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000163426266 524668929 /nfs/dbraw/zinc/66/89/29/524668929.db2.gz KTGZJIGJFRKDMC-UONOGXRCSA-N 2 1 298.431 0.300 10 0 CCAEMP [NH3+]C[C@@]1(N2CC[NH+](C3CC3)CC2)CCCSC1 ZINC000061590179 527222312 /nfs/dbraw/zinc/22/23/12/527222312.db2.gz ZAVNHHWJJWSYPF-ZDUSSCGKSA-N 2 1 255.431 0.991 10 0 CCAEMP COc1ccccc1/C=C/C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263143955 536980885 /nfs/dbraw/zinc/98/08/85/536980885.db2.gz CMWKMBIDSVQBJF-HHAVJRIZSA-N 2 1 262.353 0.878 10 0 CCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311240974 625501798 /nfs/dbraw/zinc/50/17/98/625501798.db2.gz ZEKHDMSVEJEQGJ-MJBXVCDLSA-N 2 1 256.390 0.848 10 0 CCAEMP COCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250478935 631546444 /nfs/dbraw/zinc/54/64/44/631546444.db2.gz VCOHXALWIGBPSO-NWDGAFQWSA-N 2 1 255.362 0.047 10 0 CCAEMP COCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250478935 631546456 /nfs/dbraw/zinc/54/64/56/631546456.db2.gz VCOHXALWIGBPSO-NWDGAFQWSA-N 2 1 255.362 0.047 10 0 CCAEMP C[C@@]1(C[N@H+]2CC[C@@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000222905285 636885849 /nfs/dbraw/zinc/88/58/49/636885849.db2.gz MWEUOTKTPUWXCS-HUUCEWRRSA-N 2 1 267.417 0.783 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000252571734 638401517 /nfs/dbraw/zinc/40/15/17/638401517.db2.gz BTAFGYIULPTMRS-STQMWFEESA-N 2 1 289.445 0.484 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251638490 649813868 /nfs/dbraw/zinc/81/38/68/649813868.db2.gz FTYIJNCHQKDSJC-UPJWGTAASA-N 2 1 287.429 0.237 10 0 CCAEMP C(C[NH+]1CCCC1)N1CCO[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000096054392 185076718 /nfs/dbraw/zinc/07/67/18/185076718.db2.gz KLMXDEAZRJHGKD-CVEARBPZSA-N 2 1 279.428 0.877 10 0 CCAEMP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000335705795 282265971 /nfs/dbraw/zinc/26/59/71/282265971.db2.gz OCJXPPUFSBOAQO-OLZOCXBDSA-N 2 1 268.405 0.816 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796764 349872829 /nfs/dbraw/zinc/87/28/29/349872829.db2.gz BCAUECRCKDPJNU-GFCCVEGCSA-N 2 1 257.378 0.116 10 0 CCAEMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263116517 137058684 /nfs/dbraw/zinc/05/86/84/137058684.db2.gz APLMUPJUDYCRTE-KGLIPLIRSA-N 2 1 278.400 0.596 10 0 CCAEMP Cc1cccn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)cnc12 ZINC000263146675 137059248 /nfs/dbraw/zinc/05/92/48/137059248.db2.gz CUGXSJDMUQDXIK-YPMHNXCESA-N 2 1 260.341 0.313 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000262156693 137028929 /nfs/dbraw/zinc/02/89/29/137028929.db2.gz SCLMLTRLABVXPN-JKSUJKDBSA-N 2 1 286.379 0.601 10 0 CCAEMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1C[NH2+]C1 ZINC000262221218 137031328 /nfs/dbraw/zinc/03/13/28/137031328.db2.gz KKVLYERRBATEGB-ZDUSSCGKSA-N 2 1 273.380 0.939 10 0 CCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1C[NH2+]C1 ZINC000262221218 137031329 /nfs/dbraw/zinc/03/13/29/137031329.db2.gz KKVLYERRBATEGB-ZDUSSCGKSA-N 2 1 273.380 0.939 10 0 CCAEMP Cc1ccc2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)n2c1 ZINC000263268777 137062021 /nfs/dbraw/zinc/06/20/21/137062021.db2.gz RWGDRMDRWQYONM-YPMHNXCESA-N 2 1 260.341 0.313 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000263263017 137062228 /nfs/dbraw/zinc/06/22/28/137062228.db2.gz REEJVTQXGGIIHQ-TZMCWYRMSA-N 2 1 272.352 0.747 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccccc2)n1 ZINC000263283897 137062554 /nfs/dbraw/zinc/06/25/54/137062554.db2.gz USDDEJFRPBLMIH-HIFRSBDPSA-N 2 1 286.379 0.757 10 0 CCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000263293591 137062999 /nfs/dbraw/zinc/06/29/99/137062999.db2.gz VZZGJZXJTGTJQK-DGCLKSJQSA-N 2 1 266.341 0.374 10 0 CCAEMP CCC[C@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1CCOC ZINC000263318404 137063765 /nfs/dbraw/zinc/06/37/65/137063765.db2.gz QUCCOTHUNIPOHZ-ZDUSSCGKSA-N 2 1 269.389 0.165 10 0 CCAEMP C[N@@H+](C[C@H](O)CN1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000310923213 137072972 /nfs/dbraw/zinc/07/29/72/137072972.db2.gz HMYIOFKZJQSJGH-KBPBESRZSA-N 2 1 253.390 0.222 10 0 CCAEMP C[NH+](C[C@H](O)CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000310923213 137072973 /nfs/dbraw/zinc/07/29/73/137072973.db2.gz HMYIOFKZJQSJGH-KBPBESRZSA-N 2 1 253.390 0.222 10 0 CCAEMP C[NH+](C[C@H](O)CN1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000310923213 137072974 /nfs/dbraw/zinc/07/29/74/137072974.db2.gz HMYIOFKZJQSJGH-KBPBESRZSA-N 2 1 253.390 0.222 10 0 CCAEMP COc1cc(OC)c(OC)cc1C[NH2+]CCC[NH2+]CCO ZINC000013733055 348030752 /nfs/dbraw/zinc/03/07/52/348030752.db2.gz ZTKCZAAZEFBOMB-UHFFFAOYSA-N 2 1 298.383 0.774 10 0 CCAEMP [NH3+]C1CC[NH+](C[C@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000070458347 348890054 /nfs/dbraw/zinc/89/00/54/348890054.db2.gz ACIOVLAEHAJGHH-LBPRGKRZSA-N 2 1 264.325 0.872 10 0 CCAEMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(CCC[NH3+])CC2)C1 ZINC000080749510 349227800 /nfs/dbraw/zinc/22/78/00/349227800.db2.gz VAMIGIAPTJHETK-HNNXBMFYSA-N 2 1 284.448 0.062 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136201764 350417726 /nfs/dbraw/zinc/41/77/26/350417726.db2.gz NLRRQYODFOFEOF-JSGCOSHPSA-N 2 1 253.390 0.977 10 0 CCAEMP CCOC(=O)CNC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000194303583 351863074 /nfs/dbraw/zinc/86/30/74/351863074.db2.gz UWRZQSMHZZZPSO-UHFFFAOYSA-N 2 1 283.416 0.698 10 0 CCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000227333119 352045081 /nfs/dbraw/zinc/04/50/81/352045081.db2.gz TWKYXMIIAPCSGU-FRRDWIJNSA-N 2 1 251.374 0.539 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227696498 352057471 /nfs/dbraw/zinc/05/74/71/352057471.db2.gz NLRRQYODFOFEOF-GXTWGEPZSA-N 2 1 253.390 0.977 10 0 CCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000232662562 352146469 /nfs/dbraw/zinc/14/64/69/352146469.db2.gz DWIFCEIXYKIYQF-JHJVBQTASA-N 2 1 253.390 0.688 10 0 CCAEMP CC1CC[NH+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000236697069 352206585 /nfs/dbraw/zinc/20/65/85/352206585.db2.gz FDQZBEPSVIVRNP-AWEZNQCLSA-N 2 1 283.416 0.603 10 0 CCAEMP C[NH2+]C[C@H](C)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000237294983 352258825 /nfs/dbraw/zinc/25/88/25/352258825.db2.gz ZHOYHETZQGDYEQ-STQMWFEESA-N 2 1 283.416 0.554 10 0 CCAEMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1COCC[NH2+]1 ZINC000237989594 352293179 /nfs/dbraw/zinc/29/31/79/352293179.db2.gz MOBKCGLISZAZQU-CQSZACIVSA-N 2 1 281.400 0.498 10 0 CCAEMP C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000238857042 352302242 /nfs/dbraw/zinc/30/22/42/352302242.db2.gz XVOHBPDPMBWEAY-UWVGGRQHSA-N 2 1 253.325 0.679 10 0 CCAEMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282537813 353433247 /nfs/dbraw/zinc/43/32/47/353433247.db2.gz ZLLWSSWWHAOSSR-ZYHUDNBSSA-N 2 1 250.346 0.838 10 0 CCAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824576 354800720 /nfs/dbraw/zinc/80/07/20/354800720.db2.gz RPTYFSZDWUPMKN-MQYQWHSLSA-N 2 1 298.431 0.081 10 0 CCAEMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000408412010 358079965 /nfs/dbraw/zinc/07/99/65/358079965.db2.gz MPAVAHJLAFMMFT-DGCLKSJQSA-N 2 1 289.445 0.198 10 0 CCAEMP NC(=O)[C@H]1Cc2ccccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000262006742 283358391 /nfs/dbraw/zinc/35/83/91/283358391.db2.gz FCXYTDOWKCQTFL-OAHLLOKOSA-N 2 1 273.380 0.898 10 0 CCAEMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837564 370702007 /nfs/dbraw/zinc/70/20/07/370702007.db2.gz DAPJSJKLAFYKPP-AGIUHOORSA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1C[NH3+] ZINC000631843243 370708385 /nfs/dbraw/zinc/70/83/85/370708385.db2.gz LEBOFSXCSAIZAX-VXGBXAGGSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1C[NH3+] ZINC000631843243 370708390 /nfs/dbraw/zinc/70/83/90/370708390.db2.gz LEBOFSXCSAIZAX-VXGBXAGGSA-N 2 1 253.390 0.962 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](C[NH3+])CC1 ZINC000616666445 365418353 /nfs/dbraw/zinc/41/83/53/365418353.db2.gz SGURPLYWFYYEMC-LLVKDONJSA-N 2 1 273.377 0.561 10 0 CCAEMP CCc1nc(NCC2([NH3+])CCOCC2)cc(C)[nH+]1 ZINC000630526938 370147384 /nfs/dbraw/zinc/14/73/84/370147384.db2.gz OKMYYMDMSLGGMU-UHFFFAOYSA-N 2 1 250.346 0.689 10 0 CCAEMP Brc1cnn(CCC[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000336719175 213592042 /nfs/dbraw/zinc/59/20/42/213592042.db2.gz YXPHLSSARGGMJG-SNVBAGLBSA-N 2 1 273.178 0.987 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638107411 374672930 /nfs/dbraw/zinc/67/29/30/374672930.db2.gz FHGUNQHESBVDII-STQMWFEESA-N 2 1 251.374 0.977 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638109987 374678301 /nfs/dbraw/zinc/67/83/01/374678301.db2.gz YSYYPFUCAMWNAG-JSGCOSHPSA-N 2 1 269.389 0.308 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC000248654711 285073239 /nfs/dbraw/zinc/07/32/39/285073239.db2.gz VYCFNGGXOAILPU-STQMWFEESA-N 2 1 298.431 0.177 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449695 285259559 /nfs/dbraw/zinc/25/95/59/285259559.db2.gz QRZZMLAQNMBMJH-JHJVBQTASA-N 2 1 253.390 0.962 10 0 CCAEMP C[NH+](C)C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132341065 389223122 /nfs/dbraw/zinc/22/31/22/389223122.db2.gz QUALQCIKXIYSEL-NEPJUHHUSA-N 2 1 287.404 0.508 10 0 CCAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132341065 389223123 /nfs/dbraw/zinc/22/31/23/389223123.db2.gz QUALQCIKXIYSEL-NEPJUHHUSA-N 2 1 287.404 0.508 10 0 CCAEMP O[C@]1(CNC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422972815 389513609 /nfs/dbraw/zinc/51/36/09/389513609.db2.gz AKTAMLSTNVPJKO-KRWDZBQOSA-N 2 1 289.423 0.965 10 0 CCAEMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000336391068 389635176 /nfs/dbraw/zinc/63/51/76/389635176.db2.gz RPDWCGNSYPKLPG-GXTWGEPZSA-N 2 1 278.400 0.713 10 0 CCAEMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336391068 389635178 /nfs/dbraw/zinc/63/51/78/389635178.db2.gz RPDWCGNSYPKLPG-GXTWGEPZSA-N 2 1 278.400 0.713 10 0 CCAEMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336391068 389635181 /nfs/dbraw/zinc/63/51/81/389635181.db2.gz RPDWCGNSYPKLPG-GXTWGEPZSA-N 2 1 278.400 0.713 10 0 CCAEMP C[C@@H](CN1CCOCC1)[N@@H+]1CCCN(C2CC2)CC1 ZINC000180593981 389672938 /nfs/dbraw/zinc/67/29/38/389672938.db2.gz OLLSLMONJIEMIU-AWEZNQCLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H](CN1CCOCC1)[N@H+]1CCCN(C2CC2)CC1 ZINC000180593981 389672940 /nfs/dbraw/zinc/67/29/40/389672940.db2.gz OLLSLMONJIEMIU-AWEZNQCLSA-N 2 1 267.417 0.877 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649328384 390586391 /nfs/dbraw/zinc/58/63/91/390586391.db2.gz UYPIRBNIXNSZGH-HIFRSBDPSA-N 2 1 283.416 0.698 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649277319 390546062 /nfs/dbraw/zinc/54/60/62/390546062.db2.gz UUJUQYWDBGHOEK-JSGCOSHPSA-N 2 1 269.389 0.356 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649298056 390557288 /nfs/dbraw/zinc/55/72/88/390557288.db2.gz NDJHTNVYMLAUNQ-TZMCWYRMSA-N 2 1 269.389 0.213 10 0 CCAEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649347905 390600745 /nfs/dbraw/zinc/60/07/45/390600745.db2.gz NFJHULVWLQPLIB-MCIONIFRSA-N 2 1 281.400 0.308 10 0 CCAEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649347906 390600771 /nfs/dbraw/zinc/60/07/71/390600771.db2.gz NFJHULVWLQPLIB-MJBXVCDLSA-N 2 1 281.400 0.308 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578365163 390880056 /nfs/dbraw/zinc/88/00/56/390880056.db2.gz YIXFSTLARDNONW-RVMXOQNASA-N 2 1 251.374 0.809 10 0 CCAEMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000252153932 131133502 /nfs/dbraw/zinc/13/35/02/131133502.db2.gz MYZKZCTYYYCOSM-QWHCGFSZSA-N 2 1 269.389 0.356 10 0 CCAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000252153932 131133503 /nfs/dbraw/zinc/13/35/03/131133503.db2.gz MYZKZCTYYYCOSM-QWHCGFSZSA-N 2 1 269.389 0.356 10 0 CCAEMP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000653118423 412228144 /nfs/dbraw/zinc/22/81/44/412228144.db2.gz LJLVDBOIBKQISU-HBNTYKKESA-N 2 1 291.317 0.691 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589752 414731067 /nfs/dbraw/zinc/73/10/67/414731067.db2.gz DCHPPJJBPRIUAR-WDEREUQCSA-N 2 1 257.378 0.197 10 0 CCAEMP C[C@H]([NH3+])[C@H](c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000042901416 174906023 /nfs/dbraw/zinc/90/60/23/174906023.db2.gz YLAUYKLOFVIRIS-DZGCQCFKSA-N 2 1 263.385 0.685 10 0 CCAEMP O=c1[nH]c2ccc(C[NH2+]C[C@@]3(O)CCC[NH2+]C3)cc2[nH]1 ZINC000072408870 176398637 /nfs/dbraw/zinc/39/86/37/176398637.db2.gz ZZLBVCQGRPTKGK-CQSZACIVSA-N 2 1 276.340 0.060 10 0 CCAEMP CC(C)[NH+]1CCN(C2CCN(CC[NH3+])CC2)CC1 ZINC000725273934 545889529 /nfs/dbraw/zinc/88/95/29/545889529.db2.gz WLMFBCNIRUFPDH-UHFFFAOYSA-N 2 1 254.422 0.436 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@@H]1C[NH2+]CCO1 ZINC000094440952 544544476 /nfs/dbraw/zinc/54/44/76/544544476.db2.gz JSOZUKSUZFQGPG-MCIONIFRSA-N 2 1 253.390 0.533 10 0 CCAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ncnn3C2)[C@H](C)C1 ZINC000118957892 276231096 /nfs/dbraw/zinc/23/10/96/276231096.db2.gz DFYHKLFYAICGIS-UPJWGTAASA-N 2 1 263.389 0.913 10 0 CCAEMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC2C[NH2+]C2)C1 ZINC000335379880 290242604 /nfs/dbraw/zinc/24/26/04/290242604.db2.gz UPWHFPCVERSTJH-PWSUYJOCSA-N 2 1 252.362 0.084 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000394041180 329095804 /nfs/dbraw/zinc/09/58/04/329095804.db2.gz FCJIGLUKOCYLKV-IHRRRGAJSA-N 2 1 255.406 0.468 10 0 CCAEMP CCCN(CC[NH+](C)C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000328353174 327171026 /nfs/dbraw/zinc/17/10/26/327171026.db2.gz NMYGEAVHEMPCLJ-NEPJUHHUSA-N 2 1 257.378 0.164 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000394041180 329095802 /nfs/dbraw/zinc/09/58/02/329095802.db2.gz FCJIGLUKOCYLKV-IHRRRGAJSA-N 2 1 255.406 0.468 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000394041180 329095803 /nfs/dbraw/zinc/09/58/03/329095803.db2.gz FCJIGLUKOCYLKV-IHRRRGAJSA-N 2 1 255.406 0.468 10 0 CCAEMP C(CN1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049565572 518389552 /nfs/dbraw/zinc/38/95/52/518389552.db2.gz XSAKMFOJTBOYMU-KBPBESRZSA-N 2 1 253.390 0.535 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055124642 521667907 /nfs/dbraw/zinc/66/79/07/521667907.db2.gz LAGFGCPVGYSIIC-XQQFMLRXSA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000050564920 524128085 /nfs/dbraw/zinc/12/80/85/524128085.db2.gz RZZKATCOHRDALC-UPJWGTAASA-N 2 1 253.390 0.927 10 0 CCAEMP C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H]1[NH3+] ZINC000055136302 524347685 /nfs/dbraw/zinc/34/76/85/524347685.db2.gz RIPAFWCVBDTQQN-FVCCEPFGSA-N 2 1 253.390 0.960 10 0 CCAEMP Cc1nccc(N2CCC[N@H+](C[C@@H](C)C[NH3+])CC2)n1 ZINC000054935425 527344255 /nfs/dbraw/zinc/34/42/55/527344255.db2.gz BCYDALULVOVPJO-LBPRGKRZSA-N 2 1 263.389 0.892 10 0 CCAEMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](O)(C(N)=O)C1 ZINC000311850547 536357035 /nfs/dbraw/zinc/35/70/35/536357035.db2.gz OOBYGLOJVPDVNF-GXTWGEPZSA-N 2 1 269.389 0.173 10 0 CCAEMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311850547 536357037 /nfs/dbraw/zinc/35/70/37/536357037.db2.gz OOBYGLOJVPDVNF-GXTWGEPZSA-N 2 1 269.389 0.173 10 0 CCAEMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311850547 536357040 /nfs/dbraw/zinc/35/70/40/536357040.db2.gz OOBYGLOJVPDVNF-GXTWGEPZSA-N 2 1 269.389 0.173 10 0 CCAEMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H](O)c1cnc[nH]1 ZINC000865190609 616196967 /nfs/dbraw/zinc/19/69/67/616196967.db2.gz BPNMQYQNMIQAAV-UPJWGTAASA-N 2 1 278.356 0.528 10 0 CCAEMP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH]cn1 ZINC000865190609 616196968 /nfs/dbraw/zinc/19/69/68/616196968.db2.gz BPNMQYQNMIQAAV-UPJWGTAASA-N 2 1 278.356 0.528 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)CCCCC[NH3+])C[C@H]1C ZINC000155678585 616358963 /nfs/dbraw/zinc/35/89/63/616358963.db2.gz KPDIZOTYEDMOBQ-CYBMUJFWSA-N 2 1 271.405 0.685 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)CCCCC[NH3+])C[C@H]1C ZINC000155678585 616358969 /nfs/dbraw/zinc/35/89/69/616358969.db2.gz KPDIZOTYEDMOBQ-CYBMUJFWSA-N 2 1 271.405 0.685 10 0 CCAEMP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000261543404 631380366 /nfs/dbraw/zinc/38/03/66/631380366.db2.gz HSUMJAFJGPXWDO-JSGCOSHPSA-N 2 1 279.384 0.597 10 0 CCAEMP C(c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[C@H]1CC[NH2+]C1 ZINC000227578528 637030330 /nfs/dbraw/zinc/03/03/30/637030330.db2.gz CCAGYSYQIGMLQB-UTUOFQBUSA-N 2 1 278.356 0.757 10 0 CCAEMP C(c1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[C@H]1CC[NH2+]C1 ZINC000227578528 637030335 /nfs/dbraw/zinc/03/03/35/637030335.db2.gz CCAGYSYQIGMLQB-UTUOFQBUSA-N 2 1 278.356 0.757 10 0 CCAEMP C[C@]1(c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)CC[NH2+]C1 ZINC000252559444 649828755 /nfs/dbraw/zinc/82/87/55/649828755.db2.gz VCYZMLPSDVYJDK-WDMOLILDSA-N 2 1 278.356 0.856 10 0 CCAEMP C[C@]1(c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)CC[NH2+]C1 ZINC000252559444 649828756 /nfs/dbraw/zinc/82/87/56/649828756.db2.gz VCYZMLPSDVYJDK-WDMOLILDSA-N 2 1 278.356 0.856 10 0 CCAEMP O=C(CNc1cc[nH+]cc1Cl)N1CC[NH2+]CC1 ZINC000094272616 349565889 /nfs/dbraw/zinc/56/58/89/349565889.db2.gz VRNRYICVRWBJRC-UHFFFAOYSA-N 2 1 254.721 0.579 10 0 CCAEMP CNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918527 349729376 /nfs/dbraw/zinc/72/93/76/349729376.db2.gz JMOHGPFKJBZCQR-UHFFFAOYSA-N 2 1 250.346 0.421 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000245629720 290113631 /nfs/dbraw/zinc/11/36/31/290113631.db2.gz PTFOEAUUNXVBKC-QLFBSQMISA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000245629720 290113633 /nfs/dbraw/zinc/11/36/33/290113633.db2.gz PTFOEAUUNXVBKC-QLFBSQMISA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000245629720 290113637 /nfs/dbraw/zinc/11/36/37/290113637.db2.gz PTFOEAUUNXVBKC-QLFBSQMISA-N 2 1 269.433 0.858 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252551152 137003451 /nfs/dbraw/zinc/00/34/51/137003451.db2.gz PLNVCFGANSMPCK-SRVKXCTJSA-N 2 1 255.362 0.093 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000262368292 137040528 /nfs/dbraw/zinc/04/05/28/137040528.db2.gz VWQKZFXUKUSAQE-YGRLFVJLSA-N 2 1 275.352 0.283 10 0 CCAEMP Cc1ccccc1C[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262176875 137029814 /nfs/dbraw/zinc/02/98/14/137029814.db2.gz DCUFJQGYQXAQBF-UHFFFAOYSA-N 2 1 273.380 0.859 10 0 CCAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1C[NH2+]C1 ZINC000262221215 137031343 /nfs/dbraw/zinc/03/13/43/137031343.db2.gz KKVLYERRBATEGB-CYBMUJFWSA-N 2 1 273.380 0.939 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1C[NH2+]C1 ZINC000262221215 137031344 /nfs/dbraw/zinc/03/13/44/137031344.db2.gz KKVLYERRBATEGB-CYBMUJFWSA-N 2 1 273.380 0.939 10 0 CCAEMP C[NH2+][C@@H](C(=O)NCC1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000262325631 137038023 /nfs/dbraw/zinc/03/80/23/137038023.db2.gz FZYKWVCTMFBJNW-CYBMUJFWSA-N 2 1 279.388 0.139 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000263239904 137061455 /nfs/dbraw/zinc/06/14/55/137061455.db2.gz OMRBIVZSGDOUFG-RYUDHWBXSA-N 2 1 264.325 0.128 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000263288360 137062990 /nfs/dbraw/zinc/06/29/90/137062990.db2.gz VJCXGCNYZRUUPC-CABZTGNLSA-N 2 1 280.759 0.658 10 0 CCAEMP COCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263186991 137060165 /nfs/dbraw/zinc/06/01/65/137060165.db2.gz HLJHQRQOOWWQII-UKRRQHHQSA-N 2 1 280.368 0.382 10 0 CCAEMP CC[NH+](CC)CCOCCOC(=O)N1CC[NH+](C)CC1 ZINC000003599742 347985203 /nfs/dbraw/zinc/98/52/03/347985203.db2.gz CAPANAFILMLOQM-UHFFFAOYSA-N 2 1 287.404 0.729 10 0 CCAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000045135556 348334589 /nfs/dbraw/zinc/33/45/89/348334589.db2.gz SXKQPCKXDGCYRR-ZDUSSCGKSA-N 2 1 283.416 0.588 10 0 CCAEMP CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCOC)[NH+](C)C ZINC000162014596 350733830 /nfs/dbraw/zinc/73/38/30/350733830.db2.gz ILHMAHVAUFXMES-KGLIPLIRSA-N 2 1 285.432 0.944 10 0 CCAEMP CCC[C@H](C(=O)N[C@H](C)CCN1CC[NH+](C)CC1)[NH+](C)C ZINC000184077913 351401477 /nfs/dbraw/zinc/40/14/77/351401477.db2.gz PRSBHUGDQQAHDD-HUUCEWRRSA-N 2 1 298.475 0.859 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000227333115 352045345 /nfs/dbraw/zinc/04/53/45/352045345.db2.gz TWKYXMIIAPCSGU-JHJVBQTASA-N 2 1 251.374 0.539 10 0 CCAEMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236787631 352214623 /nfs/dbraw/zinc/21/46/23/352214623.db2.gz TZWBBLWYWWWLMP-STQMWFEESA-N 2 1 269.389 0.069 10 0 CCAEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236787631 352214625 /nfs/dbraw/zinc/21/46/25/352214625.db2.gz TZWBBLWYWWWLMP-STQMWFEESA-N 2 1 269.389 0.069 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H](O)C[NH+](C)CCOC ZINC000380790169 357706880 /nfs/dbraw/zinc/70/68/80/357706880.db2.gz IBOCGHJXEMANHJ-HUUCEWRRSA-N 2 1 287.448 0.342 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C[C@H](O)C[N@H+](C)CCOC ZINC000380790169 357706883 /nfs/dbraw/zinc/70/68/83/357706883.db2.gz IBOCGHJXEMANHJ-HUUCEWRRSA-N 2 1 287.448 0.342 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000380790169 357706885 /nfs/dbraw/zinc/70/68/85/357706885.db2.gz IBOCGHJXEMANHJ-HUUCEWRRSA-N 2 1 287.448 0.342 10 0 CCAEMP COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262093822 291133119 /nfs/dbraw/zinc/13/31/19/291133119.db2.gz UZBSTCGMLTZMRE-YPMHNXCESA-N 2 1 272.414 0.967 10 0 CCAEMP COC(=O)C[C@@H]1CSCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262093822 291133122 /nfs/dbraw/zinc/13/31/22/291133122.db2.gz UZBSTCGMLTZMRE-YPMHNXCESA-N 2 1 272.414 0.967 10 0 CCAEMP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000038043156 296017772 /nfs/dbraw/zinc/01/77/72/296017772.db2.gz FAVKOZORHLUUMS-AWEZNQCLSA-N 3 1 280.416 0.025 10 0 CCAEMP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000038043156 296017775 /nfs/dbraw/zinc/01/77/75/296017775.db2.gz FAVKOZORHLUUMS-AWEZNQCLSA-N 3 1 280.416 0.025 10 0 CCAEMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841383 370707656 /nfs/dbraw/zinc/70/76/56/370707656.db2.gz JZMJHOKDKMBFFB-WOPDTQHZSA-N 2 1 257.378 0.054 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000631842879 370708647 /nfs/dbraw/zinc/70/86/47/370708647.db2.gz HAYIGEHJEVAHKJ-STQMWFEESA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000631842879 370708652 /nfs/dbraw/zinc/70/86/52/370708652.db2.gz HAYIGEHJEVAHKJ-STQMWFEESA-N 2 1 253.390 0.772 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638079032 374638062 /nfs/dbraw/zinc/63/80/62/374638062.db2.gz JQJHAKMPEZTXBM-TZMCWYRMSA-N 2 1 269.389 0.342 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH+](CC)C2CC2)CC[N@H+]1C[C@H](C)O ZINC000246294048 285013605 /nfs/dbraw/zinc/01/36/05/285013605.db2.gz PAGIHLHUWHFRPW-KBPBESRZSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[C@H]1CN(C(=O)C[N@H+](CC)C2CC2)CC[NH+]1C[C@H](C)O ZINC000246294048 285013607 /nfs/dbraw/zinc/01/36/07/285013607.db2.gz PAGIHLHUWHFRPW-KBPBESRZSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[C@H]1CN(C(=O)C[N@@H+](CC)C2CC2)CC[NH+]1C[C@H](C)O ZINC000246294048 285013608 /nfs/dbraw/zinc/01/36/08/285013608.db2.gz PAGIHLHUWHFRPW-KBPBESRZSA-N 2 1 297.443 0.774 10 0 CCAEMP CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000335287588 208106934 /nfs/dbraw/zinc/10/69/34/208106934.db2.gz KAUHRDZYPCYFAF-VXGBXAGGSA-N 2 1 252.362 0.226 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000335286178 285266922 /nfs/dbraw/zinc/26/69/22/285266922.db2.gz WNSZCEPBQCZODR-ZFWWWQNUSA-N 2 1 280.416 0.866 10 0 CCAEMP CC(C)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000187182684 388871271 /nfs/dbraw/zinc/87/12/71/388871271.db2.gz DYYQJQMGMHEPAQ-HOCLYGCPSA-N 2 1 297.443 0.632 10 0 CCAEMP CC(C)N1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000193638753 389075849 /nfs/dbraw/zinc/07/58/49/389075849.db2.gz NLLDICXHHHDAMP-HZSPNIEDSA-N 2 1 265.401 0.879 10 0 CCAEMP CC(C)N1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1=O ZINC000193638753 389075851 /nfs/dbraw/zinc/07/58/51/389075851.db2.gz NLLDICXHHHDAMP-HZSPNIEDSA-N 2 1 265.401 0.879 10 0 CCAEMP CC(C)N1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1=O ZINC000193638753 389075855 /nfs/dbraw/zinc/07/58/55/389075855.db2.gz NLLDICXHHHDAMP-HZSPNIEDSA-N 2 1 265.401 0.879 10 0 CCAEMP CN(C)c1nc(N2CCC(OCCC[NH3+])CC2)cc[nH+]1 ZINC000094073232 389038617 /nfs/dbraw/zinc/03/86/17/389038617.db2.gz BLFHNXRKNDDRML-UHFFFAOYSA-N 2 1 279.388 0.877 10 0 CCAEMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000313114006 389111031 /nfs/dbraw/zinc/11/10/31/389111031.db2.gz OOJXXSJUTAOCEP-HUUCEWRRSA-N 2 1 285.432 0.096 10 0 CCAEMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000313114006 389111033 /nfs/dbraw/zinc/11/10/33/389111033.db2.gz OOJXXSJUTAOCEP-HUUCEWRRSA-N 2 1 285.432 0.096 10 0 CCAEMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000313114006 389111036 /nfs/dbraw/zinc/11/10/36/389111036.db2.gz OOJXXSJUTAOCEP-HUUCEWRRSA-N 2 1 285.432 0.096 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CCCC1 ZINC000251823582 389263381 /nfs/dbraw/zinc/26/33/81/389263381.db2.gz PCFYPMWVUGBZBJ-RYUDHWBXSA-N 2 1 251.374 0.953 10 0 CCAEMP Nc1nc(-n2cccn2)cc(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000245537111 389212309 /nfs/dbraw/zinc/21/23/09/389212309.db2.gz MBRDCZTYXUTUNO-NSHDSACASA-N 2 1 285.355 0.529 10 0 CCAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132341450 389223812 /nfs/dbraw/zinc/22/38/12/389223812.db2.gz QUALQCIKXIYSEL-VXGBXAGGSA-N 2 1 287.404 0.508 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000399197064 389789358 /nfs/dbraw/zinc/78/93/58/389789358.db2.gz LWWHDOUNFFDMFT-NEPJUHHUSA-N 2 1 251.374 0.681 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649328336 390585822 /nfs/dbraw/zinc/58/58/22/390585822.db2.gz PLWBZLPMYATRAQ-OLZOCXBDSA-N 2 1 269.389 0.165 10 0 CCAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649280793 390546410 /nfs/dbraw/zinc/54/64/10/390546410.db2.gz MDBBWWBEQZIHPN-KBPBESRZSA-N 2 1 283.416 0.603 10 0 CCAEMP COC[C@]1(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000649299063 390558509 /nfs/dbraw/zinc/55/85/09/390558509.db2.gz WTVRGBVAFFVIJB-HIFRSBDPSA-N 2 1 283.416 0.555 10 0 CCAEMP COC[C@]1(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000649304878 390564309 /nfs/dbraw/zinc/56/43/09/390564309.db2.gz KVNMEQZDTPUUJP-HIFRSBDPSA-N 2 1 283.416 0.602 10 0 CCAEMP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649308102 390568080 /nfs/dbraw/zinc/56/80/80/390568080.db2.gz KGBMVIRNEYZNCP-FZMZJTMJSA-N 2 1 267.373 0.108 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649335292 390591486 /nfs/dbraw/zinc/59/14/86/390591486.db2.gz QIKBVGDJHMDERL-GRYCIOLGSA-N 2 1 251.374 0.680 10 0 CCAEMP CN1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000657695932 413050076 /nfs/dbraw/zinc/05/00/76/413050076.db2.gz QKAVVIUAXIDRMD-RWMBFGLXSA-N 2 1 251.374 0.681 10 0 CCAEMP COC(C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)OC ZINC000189122726 292079176 /nfs/dbraw/zinc/07/91/76/292079176.db2.gz CBNWWKSENBWTIJ-AWEZNQCLSA-N 2 1 285.432 0.707 10 0 CCAEMP COC(C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)OC ZINC000189122726 292079178 /nfs/dbraw/zinc/07/91/78/292079178.db2.gz CBNWWKSENBWTIJ-AWEZNQCLSA-N 2 1 285.432 0.707 10 0 CCAEMP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1C[NH2+]C1 ZINC000368168815 144210182 /nfs/dbraw/zinc/21/01/82/144210182.db2.gz TVZOYZFXGMYWGC-FICVDOATSA-N 2 1 271.364 0.452 10 0 CCAEMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000386231792 397501565 /nfs/dbraw/zinc/50/15/65/397501565.db2.gz PZCVJCBHJYWHBU-UPJWGTAASA-N 2 1 260.378 0.083 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000386231792 397501568 /nfs/dbraw/zinc/50/15/68/397501568.db2.gz PZCVJCBHJYWHBU-UPJWGTAASA-N 2 1 260.378 0.083 10 0 CCAEMP [NH3+]C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000020225647 171088463 /nfs/dbraw/zinc/08/84/63/171088463.db2.gz KPGUMFYXUJZROR-AWEZNQCLSA-N 2 1 267.348 0.435 10 0 CCAEMP NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022210921 171373416 /nfs/dbraw/zinc/37/34/16/171373416.db2.gz FWGKZNZCPASNRB-UHFFFAOYSA-N 2 1 290.367 0.281 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022217622 171376449 /nfs/dbraw/zinc/37/64/49/171376449.db2.gz LKOZAPOUKJMSKF-ZDUSSCGKSA-N 2 1 297.424 0.908 10 0 CCAEMP NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022219889 171377437 /nfs/dbraw/zinc/37/74/37/171377437.db2.gz SOUHAOQOIIAZOG-GFCCVEGCSA-N 2 1 290.367 0.281 10 0 CCAEMP NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022219889 171377439 /nfs/dbraw/zinc/37/74/39/171377439.db2.gz SOUHAOQOIIAZOG-GFCCVEGCSA-N 2 1 290.367 0.281 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662618416 414733173 /nfs/dbraw/zinc/73/31/73/414733173.db2.gz BICUHOSJGFKIIW-IJLUTSLNSA-N 2 1 253.390 0.831 10 0 CCAEMP CN(C)CC[N@H+]1CC[C@@H](CCN2CC[NH2+]CC2)C1 ZINC000077608926 177285610 /nfs/dbraw/zinc/28/56/10/177285610.db2.gz WMWCKJQESDETRF-CQSZACIVSA-N 2 1 254.422 0.165 10 0 CCAEMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000250898330 544924990 /nfs/dbraw/zinc/92/49/90/544924990.db2.gz AHZGKPSAAFJVKN-BFHYXJOUSA-N 2 1 281.400 0.437 10 0 CCAEMP CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000251086027 544925530 /nfs/dbraw/zinc/92/55/30/544925530.db2.gz XOYBFKTTXAPBGL-KGLIPLIRSA-N 2 1 294.443 0.413 10 0 CCAEMP Cc1nc2c(c(N3C[C@@H]4CCC[NH2+][C@@H]4C3)n1)C[NH2+]C2 ZINC000072143751 274846927 /nfs/dbraw/zinc/84/69/27/274846927.db2.gz YCLBCKACSIDVJY-GXFFZTMASA-N 2 1 259.357 0.576 10 0 CCAEMP CC(C)N(C)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261572156 279322186 /nfs/dbraw/zinc/32/21/86/279322186.db2.gz LMKOEWPQDJDYPD-UHFFFAOYSA-N 2 1 253.390 0.929 10 0 CCAEMP CC1(C)CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[C@H]1[NH3+] ZINC000334920396 281180066 /nfs/dbraw/zinc/18/00/66/281180066.db2.gz DWZVFXVNQVWFCZ-DGCLKSJQSA-N 2 1 280.416 0.992 10 0 CCAEMP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1C[NH2+]C1 ZINC000164609252 298145381 /nfs/dbraw/zinc/14/53/81/298145381.db2.gz HRIWOLYRHOPZJQ-HLVVYCRESA-N 2 1 265.401 0.973 10 0 CCAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)COC)nn1 ZINC000052511684 519961924 /nfs/dbraw/zinc/96/19/24/519961924.db2.gz OSCBAGZYYJDOPY-LBPRGKRZSA-N 2 1 269.393 0.744 10 0 CCAEMP C[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631241 523818137 /nfs/dbraw/zinc/81/81/37/523818137.db2.gz SQDCRCQTNOBBMP-NEPJUHHUSA-N 2 1 275.418 0.142 10 0 CCAEMP C[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631241 523818144 /nfs/dbraw/zinc/81/81/44/523818144.db2.gz SQDCRCQTNOBBMP-NEPJUHHUSA-N 2 1 275.418 0.142 10 0 CCAEMP C[C@H]1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055136283 524869654 /nfs/dbraw/zinc/86/96/54/524869654.db2.gz WCENWYOSIQNWPH-LOWDOPEQSA-N 2 1 253.390 0.960 10 0 CCAEMP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000055124324 525088597 /nfs/dbraw/zinc/08/85/97/525088597.db2.gz KIXWBZXPVKLDFZ-AGIUHOORSA-N 2 1 253.390 0.914 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc2c1OCO2 ZINC000263219920 536801139 /nfs/dbraw/zinc/80/11/39/536801139.db2.gz LRUOSWDTXUNXKV-QWRGUYRKSA-N 2 1 280.324 0.094 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc2c1OCCO2 ZINC000263198679 536801467 /nfs/dbraw/zinc/80/14/67/536801467.db2.gz ISLSMAKMKKIDLI-NWDGAFQWSA-N 2 1 294.351 0.136 10 0 CCAEMP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000823360514 613954464 /nfs/dbraw/zinc/95/44/64/613954464.db2.gz GVGVVFRSIVRWIX-MCIONIFRSA-N 2 1 297.443 0.869 10 0 CCAEMP CC[N@@H+]1CCO[C@@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000134430432 615175760 /nfs/dbraw/zinc/17/57/60/615175760.db2.gz RQEIQSOHRDDGDB-JTQLQIEISA-N 2 1 251.334 0.500 10 0 CCAEMP CC[N@H+]1CCO[C@@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000134430432 615175762 /nfs/dbraw/zinc/17/57/62/615175762.db2.gz RQEIQSOHRDDGDB-JTQLQIEISA-N 2 1 251.334 0.500 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000235274229 623135473 /nfs/dbraw/zinc/13/54/73/623135473.db2.gz DIBHEBFRMZMSFB-DDHJBXDOSA-N 2 1 278.356 0.928 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000235274229 623135483 /nfs/dbraw/zinc/13/54/83/623135483.db2.gz DIBHEBFRMZMSFB-DDHJBXDOSA-N 2 1 278.356 0.928 10 0 CCAEMP OCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)cc[nH+]1 ZINC000062982153 637191431 /nfs/dbraw/zinc/19/14/31/637191431.db2.gz BTYAAVHXSQNJSI-CQSZACIVSA-N 2 1 263.341 0.485 10 0 CCAEMP C[C@@H]1CN(C(=O)CCCCC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000155819909 649293274 /nfs/dbraw/zinc/29/32/74/649293274.db2.gz JSKBASRHIJOCSW-ZIAGYGMSSA-N 2 1 283.416 0.685 10 0 CCAEMP CC1(C)C[N@@H+](CCC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000261751162 137017986 /nfs/dbraw/zinc/01/79/86/137017986.db2.gz QCZROWQJLFGNSL-GFCCVEGCSA-N 2 1 269.389 0.295 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000262174663 137029471 /nfs/dbraw/zinc/02/94/71/137029471.db2.gz VPCWLEZNJNEMJX-IUODEOHRSA-N 2 1 272.352 0.747 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000263288366 137062842 /nfs/dbraw/zinc/06/28/42/137062842.db2.gz VJCXGCNYZRUUPC-SKDRFNHKSA-N 2 1 280.759 0.658 10 0 CCAEMP COC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263204817 137060553 /nfs/dbraw/zinc/06/05/53/137060553.db2.gz JPRRPERSONQIBR-STQMWFEESA-N 2 1 264.325 0.143 10 0 CCAEMP COc1cccc(C[NH2+]CCC[NH2+]CCO)c1OC ZINC000013732688 348030626 /nfs/dbraw/zinc/03/06/26/348030626.db2.gz KMCUNSOAZLDRJV-UHFFFAOYSA-N 2 1 268.357 0.765 10 0 CCAEMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC[NH2+]1 ZINC000136206533 350419143 /nfs/dbraw/zinc/41/91/43/350419143.db2.gz HHABURYOWDPAAR-UMVBOHGHSA-N 2 1 281.400 0.498 10 0 CCAEMP O=C(NCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897200 350940932 /nfs/dbraw/zinc/94/09/32/350940932.db2.gz FNDRYYBOCPTSIH-CQSZACIVSA-N 2 1 296.415 0.198 10 0 CCAEMP O=C(NCCC[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171897200 350940934 /nfs/dbraw/zinc/94/09/34/350940934.db2.gz FNDRYYBOCPTSIH-CQSZACIVSA-N 2 1 296.415 0.198 10 0 CCAEMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000178889134 351251628 /nfs/dbraw/zinc/25/16/28/351251628.db2.gz WONGHZNDAWKRNB-OCCSQVGLSA-N 2 1 276.384 0.628 10 0 CCAEMP COCC[N@H+]1CCN(CCn2ccnc2)C[C@@H]1C ZINC000122657651 187044532 /nfs/dbraw/zinc/04/45/32/187044532.db2.gz ZEBOQSSFGQVZRQ-ZDUSSCGKSA-N 2 1 252.362 0.536 10 0 CCAEMP COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000234698466 352166036 /nfs/dbraw/zinc/16/60/36/352166036.db2.gz GGPKRIZGZRTQRO-MJBXVCDLSA-N 2 1 274.405 0.282 10 0 CCAEMP COC[C@H](C)OC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000234698466 352166040 /nfs/dbraw/zinc/16/60/40/352166040.db2.gz GGPKRIZGZRTQRO-MJBXVCDLSA-N 2 1 274.405 0.282 10 0 CCAEMP COC[C@H](C)OC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000234698466 352166045 /nfs/dbraw/zinc/16/60/45/352166045.db2.gz GGPKRIZGZRTQRO-MJBXVCDLSA-N 2 1 274.405 0.282 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[NH+](C)C ZINC000246823004 352385436 /nfs/dbraw/zinc/38/54/36/352385436.db2.gz CBEXUXROYNQXOA-UKRRQHHQSA-N 2 1 290.411 0.970 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000248453859 352442389 /nfs/dbraw/zinc/44/23/89/352442389.db2.gz KCTGHEQAHJKBDW-BNOWGMLFSA-N 2 1 291.399 0.411 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000251657122 352510699 /nfs/dbraw/zinc/51/06/99/352510699.db2.gz GRPYBGRGSYWEPZ-KBPBESRZSA-N 2 1 294.443 0.365 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000251633810 352510730 /nfs/dbraw/zinc/51/07/30/352510730.db2.gz FNUQPIUVJCKFIF-MBNYWOFBSA-N 2 1 251.374 0.824 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000333658656 283068272 /nfs/dbraw/zinc/06/82/72/283068272.db2.gz LEMSJNUYKULFTM-XJFOESAGSA-N 2 1 280.416 0.992 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC000333658652 283068366 /nfs/dbraw/zinc/06/83/66/283068366.db2.gz LEMSJNUYKULFTM-RQJABVFESA-N 2 1 280.416 0.992 10 0 CCAEMP OC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000409434395 358112987 /nfs/dbraw/zinc/11/29/87/358112987.db2.gz OZTTUUVLBSBZFT-WCBMZHEXSA-N 2 1 252.280 0.841 10 0 CCAEMP OC[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000409434395 358112989 /nfs/dbraw/zinc/11/29/89/358112989.db2.gz OZTTUUVLBSBZFT-WCBMZHEXSA-N 2 1 252.280 0.841 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1C[NH3+] ZINC000631845168 370712191 /nfs/dbraw/zinc/71/21/91/370712191.db2.gz UYVBRFPIIHAAJO-STQMWFEESA-N 2 1 253.390 0.916 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1C[NH3+] ZINC000631845168 370712195 /nfs/dbraw/zinc/71/21/95/370712195.db2.gz UYVBRFPIIHAAJO-STQMWFEESA-N 2 1 253.390 0.916 10 0 CCAEMP C[NH2+]CCOCCN(C)c1cc[nH+]c(N(C)C)n1 ZINC000630531440 370151221 /nfs/dbraw/zinc/15/12/21/370151221.db2.gz WFMDFKKMPONJFP-UHFFFAOYSA-N 2 1 253.350 0.215 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000333399242 205287376 /nfs/dbraw/zinc/28/73/76/205287376.db2.gz PSKCIDBPVRXEMO-UTUOFQBUSA-N 2 1 266.389 0.520 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638079026 374636810 /nfs/dbraw/zinc/63/68/10/374636810.db2.gz JQJHAKMPEZTXBM-GXTWGEPZSA-N 2 1 269.389 0.342 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000638115838 374683330 /nfs/dbraw/zinc/68/33/30/374683330.db2.gz JPKFNDHOIYYTRK-ABHRYQDASA-N 2 1 281.400 0.449 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000037826877 388848841 /nfs/dbraw/zinc/84/88/41/388848841.db2.gz SDMQZOZOKKUOQF-LBPRGKRZSA-N 2 1 257.378 0.295 10 0 CCAEMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000037826878 388849166 /nfs/dbraw/zinc/84/91/66/388849166.db2.gz SDMQZOZOKKUOQF-GFCCVEGCSA-N 2 1 257.378 0.295 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088358126 389013135 /nfs/dbraw/zinc/01/31/35/389013135.db2.gz MUKDIMWHCOMGID-VXGBXAGGSA-N 2 1 257.378 0.067 10 0 CCAEMP C[C@H]1CN(CC[N@@H+]2CCCN(C3CC3)CC2)CCO1 ZINC000192727739 389049716 /nfs/dbraw/zinc/04/97/16/389049716.db2.gz RXKCHEVPQPVWFX-AWEZNQCLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1CN(CC[N@H+]2CCCN(C3CC3)CC2)CCO1 ZINC000192727739 389049720 /nfs/dbraw/zinc/04/97/20/389049720.db2.gz RXKCHEVPQPVWFX-AWEZNQCLSA-N 2 1 267.417 0.877 10 0 CCAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000248955446 389251121 /nfs/dbraw/zinc/25/11/21/389251121.db2.gz BYTYGGPIXKIORJ-NNYUYHANSA-N 2 1 257.353 0.531 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000137108982 389269161 /nfs/dbraw/zinc/26/91/61/389269161.db2.gz ZJOFZTHHLHNDNO-LSDHHAIUSA-N 2 1 298.475 0.715 10 0 CCAEMP COC[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043327 285338990 /nfs/dbraw/zinc/33/89/90/285338990.db2.gz GASGIQCNPZWSLG-GXTWGEPZSA-N 2 1 283.416 0.696 10 0 CCAEMP COC[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043327 285338995 /nfs/dbraw/zinc/33/89/95/285338995.db2.gz GASGIQCNPZWSLG-GXTWGEPZSA-N 2 1 283.416 0.696 10 0 CCAEMP CC[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000173676512 389507809 /nfs/dbraw/zinc/50/78/09/389507809.db2.gz QYNOFZJREIUHCG-HZPDHXFCSA-N 2 1 299.459 0.486 10 0 CCAEMP CC[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000173676512 389507814 /nfs/dbraw/zinc/50/78/14/389507814.db2.gz QYNOFZJREIUHCG-HZPDHXFCSA-N 2 1 299.459 0.486 10 0 CCAEMP C[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000407987070 389817920 /nfs/dbraw/zinc/81/79/20/389817920.db2.gz XVOHBPDPMBWEAY-VHSXEESVSA-N 2 1 253.325 0.679 10 0 CCAEMP COC[C@]1(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CCC[NH2+]1 ZINC000649335218 390591138 /nfs/dbraw/zinc/59/11/38/390591138.db2.gz LYZFSLHVPYGLKJ-NFAWXSAZSA-N 2 1 281.400 0.450 10 0 CCAEMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649308103 390567620 /nfs/dbraw/zinc/56/76/20/390567620.db2.gz KGBMVIRNEYZNCP-RISCZKNCSA-N 2 1 267.373 0.108 10 0 CCAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000643960686 390608853 /nfs/dbraw/zinc/60/88/53/390608853.db2.gz ADKPBMCIDDQKJP-ZNMIVQPWSA-N 2 1 278.400 0.769 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]12 ZINC000567270825 390685793 /nfs/dbraw/zinc/68/57/93/390685793.db2.gz PZRFSMPSUOAFOO-YIYPIFLZSA-N 2 1 254.374 0.851 10 0 CCAEMP COCCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000181010065 292337928 /nfs/dbraw/zinc/33/79/28/292337928.db2.gz OUAZCVKAGRUESD-CQSZACIVSA-N 2 1 271.405 0.603 10 0 CCAEMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062980301 411686555 /nfs/dbraw/zinc/68/65/55/411686555.db2.gz BXFOUXRBRYUDHU-KGLIPLIRSA-N 2 1 253.390 0.393 10 0 CCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCN1CCOCC1)C2 ZINC000020523918 171236563 /nfs/dbraw/zinc/23/65/63/171236563.db2.gz AAXMHEUZQQGHBU-AGUYFDCRSA-N 2 1 253.390 0.533 10 0 CCAEMP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(O)CC1 ZINC000022167170 171366211 /nfs/dbraw/zinc/36/62/11/171366211.db2.gz DQAYHNZMSPXLQI-LLVKDONJSA-N 2 1 277.368 0.929 10 0 CCAEMP CC[N@H+]([C@@H](C)C(=O)NCCOC)C1CC[NH2+]CC1 ZINC000037538753 173258987 /nfs/dbraw/zinc/25/89/87/173258987.db2.gz ZDQKVZUZZPZSCC-NSHDSACASA-N 2 1 257.378 0.211 10 0 CCAEMP CC[N@@H+]([C@@H](C)C(=O)NCCOC)C1CC[NH2+]CC1 ZINC000037538753 173258990 /nfs/dbraw/zinc/25/89/90/173258990.db2.gz ZDQKVZUZZPZSCC-NSHDSACASA-N 2 1 257.378 0.211 10 0 CCAEMP CCOC(=O)[C@@]1(NCC[NH+](C)C)C[NH+]2CCC1CC2 ZINC000037965220 173910436 /nfs/dbraw/zinc/91/04/36/173910436.db2.gz SRUZKRDDXJUCQS-CQSZACIVSA-N 2 1 269.389 0.165 10 0 CCAEMP [NH3+]CCC[N@H+](C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000038084713 174095281 /nfs/dbraw/zinc/09/52/81/174095281.db2.gz LRIVVVMENXSHFC-LBPRGKRZSA-N 2 1 260.403 0.767 10 0 CCAEMP [NH3+]CCC[N@@H+](C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000038084713 174095282 /nfs/dbraw/zinc/09/52/82/174095282.db2.gz LRIVVVMENXSHFC-LBPRGKRZSA-N 2 1 260.403 0.767 10 0 CCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC2(CCC2)C1 ZINC000662723337 414746715 /nfs/dbraw/zinc/74/67/15/414746715.db2.gz FLTPQYMWXUJDJL-LBPRGKRZSA-N 2 1 263.385 0.955 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000071189609 176065433 /nfs/dbraw/zinc/06/54/33/176065433.db2.gz JSGJNLDXQHDESY-JSGCOSHPSA-N 2 1 253.390 0.786 10 0 CCAEMP CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263417 176096707 /nfs/dbraw/zinc/09/67/07/176096707.db2.gz NLRRWHNDFUUVAE-CYBMUJFWSA-N 2 1 265.332 0.995 10 0 CCAEMP CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263417 176096709 /nfs/dbraw/zinc/09/67/09/176096709.db2.gz NLRRWHNDFUUVAE-CYBMUJFWSA-N 2 1 265.332 0.995 10 0 CCAEMP C(C[N@H+]1CC[C@H](N2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000089749477 544518437 /nfs/dbraw/zinc/51/84/37/544518437.db2.gz JIOSXNKMELROHI-KGLIPLIRSA-N 2 1 253.390 0.393 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C[C@@H]1C[NH2+]CCO1 ZINC000251717181 544927535 /nfs/dbraw/zinc/92/75/35/544927535.db2.gz JSOZUKSUZFQGPG-RDBSUJKOSA-N 2 1 253.390 0.533 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000262086828 544939454 /nfs/dbraw/zinc/93/94/54/544939454.db2.gz GEISUBAXAASEBZ-DGCLKSJQSA-N 2 1 273.340 0.142 10 0 CCAEMP COCc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262132639 544940338 /nfs/dbraw/zinc/94/03/38/544940338.db2.gz OFUVGFGMZYHLOF-ZIAGYGMSSA-N 2 1 250.342 0.503 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333366379 545039389 /nfs/dbraw/zinc/03/93/89/545039389.db2.gz LVCYTKOLOGNHCW-NQBHXWOUSA-N 2 1 266.389 0.378 10 0 CCAEMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000334805053 279399920 /nfs/dbraw/zinc/39/99/20/279399920.db2.gz REEIOCPFHJRDFG-ZIAGYGMSSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000334805053 279399923 /nfs/dbraw/zinc/39/99/23/279399923.db2.gz REEIOCPFHJRDFG-ZIAGYGMSSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000334805053 279399925 /nfs/dbraw/zinc/39/99/25/279399925.db2.gz REEIOCPFHJRDFG-ZIAGYGMSSA-N 2 1 280.416 0.960 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000094459969 297094506 /nfs/dbraw/zinc/09/45/06/297094506.db2.gz ALOZUOLBHBCHHU-LPWJVIDDSA-N 2 1 251.374 0.809 10 0 CCAEMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699990 300233720 /nfs/dbraw/zinc/23/37/20/300233720.db2.gz FKOQLQPBKQNJTR-UNJBNNCHSA-N 2 1 265.401 0.960 10 0 CCAEMP CC[NH2+][C@@H](CC[N@H+](CCOC)C(CC)CC)C(N)=O ZINC000062525497 520086510 /nfs/dbraw/zinc/08/65/10/520086510.db2.gz BYKJZNBZUSDGIL-ZDUSSCGKSA-N 2 1 273.421 0.977 10 0 CCAEMP CC[NH2+][C@@H](CC[N@@H+](CCOC)C(CC)CC)C(N)=O ZINC000062525497 520086520 /nfs/dbraw/zinc/08/65/20/520086520.db2.gz BYKJZNBZUSDGIL-ZDUSSCGKSA-N 2 1 273.421 0.977 10 0 CCAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000053012456 519725047 /nfs/dbraw/zinc/72/50/47/519725047.db2.gz XDMSPTTUIFGEMR-CQSZACIVSA-N 2 1 255.406 0.639 10 0 CCAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000053012456 519725048 /nfs/dbraw/zinc/72/50/48/519725048.db2.gz XDMSPTTUIFGEMR-CQSZACIVSA-N 2 1 255.406 0.639 10 0 CCAEMP CCC[NH+]1CCN(C(=O)c2ccc(NN)[nH+]c2)CC1 ZINC000051093330 519857027 /nfs/dbraw/zinc/85/70/27/519857027.db2.gz UVIUEAOHSWYBSX-UHFFFAOYSA-N 2 1 263.345 0.535 10 0 CCAEMP CN(CC[C@H]([NH2+]C1CC1)C(N)=O)[C@H]1CCC[N@@H+](C)C1 ZINC000062531732 522935496 /nfs/dbraw/zinc/93/54/96/522935496.db2.gz ICBSOEVMMSZYCH-STQMWFEESA-N 2 1 268.405 0.008 10 0 CCAEMP CCn1cc(CN2CC[NH+](C[C@@H](C)C[NH3+])CC2)cn1 ZINC000050539193 523370667 /nfs/dbraw/zinc/37/06/67/523370667.db2.gz LMYUHHYBDGYHHH-ZDUSSCGKSA-N 2 1 265.405 0.615 10 0 CCAEMP O=C(C[C@@H]1CCCC[NH2+]1)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049570483 527110116 /nfs/dbraw/zinc/11/01/16/527110116.db2.gz CJTQVYFRMBKRER-YNEHKIRRSA-N 2 1 251.374 0.872 10 0 CCAEMP C[NH2+][C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1cnn(C)c1 ZINC000262356922 536383389 /nfs/dbraw/zinc/38/33/89/536383389.db2.gz JUJNCEUQRXQPKL-STQMWFEESA-N 2 1 279.388 0.137 10 0 CCAEMP COCc1nc(C[NH2+]CCOCC[NH+](C)C)cs1 ZINC000682616205 545485786 /nfs/dbraw/zinc/48/57/86/545485786.db2.gz SXUGCWHGIAOIHH-UHFFFAOYSA-N 2 1 273.402 0.957 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178848328 631577042 /nfs/dbraw/zinc/57/70/42/631577042.db2.gz UXLBYFAAMCDAIC-TZMCWYRMSA-N 2 1 280.347 0.884 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250199842 649756918 /nfs/dbraw/zinc/75/69/18/649756918.db2.gz BHPRYTMDUIQSFK-NEPJUHHUSA-N 2 1 275.418 0.142 10 0 CCAEMP COC(=O)CCCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600887673 362088954 /nfs/dbraw/zinc/08/89/54/362088954.db2.gz XLYKUJLCCYXMIA-WCQYABFASA-N 2 1 258.362 0.768 10 0 CCAEMP COC(=O)CCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600887673 362088955 /nfs/dbraw/zinc/08/89/55/362088955.db2.gz XLYKUJLCCYXMIA-WCQYABFASA-N 2 1 258.362 0.768 10 0 CCAEMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262462794 137044105 /nfs/dbraw/zinc/04/41/05/137044105.db2.gz XJWCACMDFBTWHB-WCQYABFASA-N 2 1 253.390 0.962 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000263122493 137058698 /nfs/dbraw/zinc/05/86/98/137058698.db2.gz BBJTWORZCDWLBF-CMPLNLGQSA-N 2 1 278.381 0.808 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000262156688 137028748 /nfs/dbraw/zinc/02/87/48/137028748.db2.gz SCLMLTRLABVXPN-CVEARBPZSA-N 2 1 286.379 0.601 10 0 CCAEMP CCn1nc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000263281121 137062515 /nfs/dbraw/zinc/06/25/15/137062515.db2.gz UGUGZMGMPNPIMD-AAEUAGOBSA-N 2 1 252.362 0.190 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc2c1OCCO2 ZINC000263198678 137060152 /nfs/dbraw/zinc/06/01/52/137060152.db2.gz ISLSMAKMKKIDLI-NEPJUHHUSA-N 2 1 294.351 0.136 10 0 CCAEMP CC(C)Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263219913 137060416 /nfs/dbraw/zinc/06/04/16/137060416.db2.gz LRMOEOONIFAICM-STQMWFEESA-N 2 1 252.362 0.209 10 0 CCAEMP COc1ccc(OC)c(C[NH2+]CCC[NH2+]CCO)c1 ZINC000032500027 348134400 /nfs/dbraw/zinc/13/44/00/348134400.db2.gz PIPMLMJIWDENFA-UHFFFAOYSA-N 2 1 268.357 0.765 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291534 348548014 /nfs/dbraw/zinc/54/80/14/348548014.db2.gz CPRXTYZRPPWGKS-QWHCGFSZSA-N 2 1 253.390 0.977 10 0 CCAEMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000126014810 350135211 /nfs/dbraw/zinc/13/52/11/350135211.db2.gz GFZYTBJXFUEHPF-CQSZACIVSA-N 2 1 285.432 0.096 10 0 CCAEMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000126014810 350135215 /nfs/dbraw/zinc/13/52/15/350135215.db2.gz GFZYTBJXFUEHPF-CQSZACIVSA-N 2 1 285.432 0.096 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129806326 350223067 /nfs/dbraw/zinc/22/30/67/350223067.db2.gz GRPYBGRGSYWEPZ-ZIAGYGMSSA-N 2 1 294.443 0.365 10 0 CCAEMP CCC[C@H](C(=O)NCCC[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000161567225 350724683 /nfs/dbraw/zinc/72/46/83/350724683.db2.gz RJPALRNVCMCYPT-OAHLLOKOSA-N 2 1 298.475 0.861 10 0 CCAEMP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)CCO1 ZINC000165907602 350793455 /nfs/dbraw/zinc/79/34/55/350793455.db2.gz KZGDHWGARRBLDX-YPMHNXCESA-N 2 1 299.440 0.361 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)CCO1 ZINC000165907602 350793458 /nfs/dbraw/zinc/79/34/58/350793458.db2.gz KZGDHWGARRBLDX-YPMHNXCESA-N 2 1 299.440 0.361 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)C[NH+](C)C)CC2)CCO1 ZINC000171187227 350891323 /nfs/dbraw/zinc/89/13/23/350891323.db2.gz RBWUHDJQXRVYBD-GFCCVEGCSA-N 2 1 269.389 0.260 10 0 CCAEMP C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000237462230 352265797 /nfs/dbraw/zinc/26/57/97/352265797.db2.gz KDJUOYDRGUYVRX-QWRGUYRKSA-N 2 1 257.378 0.067 10 0 CCAEMP C[NH2+]C[C@@H](C)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000237165249 352248344 /nfs/dbraw/zinc/24/83/44/352248344.db2.gz ZHOYHETZQGDYEQ-OLZOCXBDSA-N 2 1 283.416 0.554 10 0 CCAEMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000248950226 352469006 /nfs/dbraw/zinc/46/90/06/352469006.db2.gz AZVGDCPAJNFJPZ-JHJVBQTASA-N 2 1 283.416 0.681 10 0 CCAEMP C[C@]1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000250799283 352507641 /nfs/dbraw/zinc/50/76/41/352507641.db2.gz NVIKWDHYIAYFOP-GXTWGEPZSA-N 2 1 251.374 0.825 10 0 CCAEMP C[C@]1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000250799283 352507643 /nfs/dbraw/zinc/50/76/43/352507643.db2.gz NVIKWDHYIAYFOP-GXTWGEPZSA-N 2 1 251.374 0.825 10 0 CCAEMP C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328645103 354245620 /nfs/dbraw/zinc/24/56/20/354245620.db2.gz RYOLNQGSRTZUQP-CYBMUJFWSA-N 2 1 276.384 1.000 10 0 CCAEMP C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328645103 354245622 /nfs/dbraw/zinc/24/56/22/354245622.db2.gz RYOLNQGSRTZUQP-CYBMUJFWSA-N 2 1 276.384 1.000 10 0 CCAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000330364987 354326173 /nfs/dbraw/zinc/32/61/73/354326173.db2.gz BXOSUQVUSPBXCA-CHWSQXEVSA-N 2 1 291.461 0.588 10 0 CCAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000330364987 354326175 /nfs/dbraw/zinc/32/61/75/354326175.db2.gz BXOSUQVUSPBXCA-CHWSQXEVSA-N 2 1 291.461 0.588 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1C ZINC000333423796 354758507 /nfs/dbraw/zinc/75/85/07/354758507.db2.gz SXFHTUWEOIXUQK-UPJWGTAASA-N 2 1 268.405 0.910 10 0 CCAEMP COc1cc(C)[nH+]c(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404207316 357818264 /nfs/dbraw/zinc/81/82/64/357818264.db2.gz SVVCDDRDUOSGCP-HUUCEWRRSA-N 2 1 277.368 0.961 10 0 CCAEMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178333435 189108008 /nfs/dbraw/zinc/10/80/08/189108008.db2.gz PPPBERVJVPPCOS-CMPLNLGQSA-N 2 1 293.371 0.500 10 0 CCAEMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178333435 189108009 /nfs/dbraw/zinc/10/80/09/189108009.db2.gz PPPBERVJVPPCOS-CMPLNLGQSA-N 2 1 293.371 0.500 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCN[C@@H](CC[NH3+])C1 ZINC000616652046 365409490 /nfs/dbraw/zinc/40/94/90/365409490.db2.gz BILKLVGJZUENPF-NSHDSACASA-N 2 1 272.393 0.134 10 0 CCAEMP CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](CC[NH3+])C1 ZINC000616652046 365409495 /nfs/dbraw/zinc/40/94/95/365409495.db2.gz BILKLVGJZUENPF-NSHDSACASA-N 2 1 272.393 0.134 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634764783 372210578 /nfs/dbraw/zinc/21/05/78/372210578.db2.gz BJJXXVWKYFEXNP-YDHLFZDLSA-N 2 1 265.401 0.834 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1C ZINC000261787278 296183265 /nfs/dbraw/zinc/18/32/65/296183265.db2.gz PVOMOXOWJXZTOC-YIYPIFLZSA-N 2 1 283.416 0.417 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000247044252 285041371 /nfs/dbraw/zinc/04/13/71/285041371.db2.gz YDLABRDNUBZQRG-UONOGXRCSA-N 2 1 285.432 0.630 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000247044252 285041372 /nfs/dbraw/zinc/04/13/72/285041372.db2.gz YDLABRDNUBZQRG-UONOGXRCSA-N 2 1 285.432 0.630 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000247044252 285041376 /nfs/dbraw/zinc/04/13/76/285041376.db2.gz YDLABRDNUBZQRG-UONOGXRCSA-N 2 1 285.432 0.630 10 0 CCAEMP CN(C)c1cc[nH+]c(N2CCC([N@H+](C)CCO)CC2)n1 ZINC000302021504 389062599 /nfs/dbraw/zinc/06/25/99/389062599.db2.gz FNWZGTXCPDUIJW-UHFFFAOYSA-N 2 1 279.388 0.436 10 0 CCAEMP CN(C)c1cc[nH+]c(N2CCC([N@@H+](C)CCO)CC2)n1 ZINC000302021504 389062601 /nfs/dbraw/zinc/06/26/01/389062601.db2.gz FNWZGTXCPDUIJW-UHFFFAOYSA-N 2 1 279.388 0.436 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309682867 389093816 /nfs/dbraw/zinc/09/38/16/389093816.db2.gz BFOFOLXIYWKTFJ-LSDHHAIUSA-N 2 1 291.395 0.598 10 0 CCAEMP COC(=O)CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000152296250 389286552 /nfs/dbraw/zinc/28/65/52/389286552.db2.gz ZUNVWYYRHQSRMI-CQSZACIVSA-N 2 1 283.416 0.651 10 0 CCAEMP COC(=O)CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000152296250 389286555 /nfs/dbraw/zinc/28/65/55/389286555.db2.gz ZUNVWYYRHQSRMI-CQSZACIVSA-N 2 1 283.416 0.651 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000173291957 389500881 /nfs/dbraw/zinc/50/08/81/389500881.db2.gz XCVAHNSMNGZYAO-CHWSQXEVSA-N 2 1 271.405 0.242 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000173291957 389500886 /nfs/dbraw/zinc/50/08/86/389500886.db2.gz XCVAHNSMNGZYAO-CHWSQXEVSA-N 2 1 271.405 0.242 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000399197074 389789375 /nfs/dbraw/zinc/78/93/75/389789375.db2.gz LWWHDOUNFFDMFT-VXGBXAGGSA-N 2 1 251.374 0.681 10 0 CCAEMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000649301601 390561455 /nfs/dbraw/zinc/56/14/55/390561455.db2.gz GENHNPLRNXDRPL-YDHLFZDLSA-N 2 1 281.400 0.498 10 0 CCAEMP C[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649305898 390564797 /nfs/dbraw/zinc/56/47/97/390564797.db2.gz LGAWLXREPHLEGL-HNNXBMFYSA-N 2 1 291.395 0.471 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649306055 390565009 /nfs/dbraw/zinc/56/50/09/390565009.db2.gz XTPBWWGYUCSHGV-TZMCWYRMSA-N 2 1 269.389 0.356 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000384255341 397495438 /nfs/dbraw/zinc/49/54/38/397495438.db2.gz OCNAAEWJWOQQSN-UONOGXRCSA-N 2 1 282.432 0.128 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000167986903 287088875 /nfs/dbraw/zinc/08/88/75/287088875.db2.gz BXQMQDJSJMJVCY-QWHCGFSZSA-N 2 1 283.416 0.290 10 0 CCAEMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)NCCOC ZINC000020316021 171146057 /nfs/dbraw/zinc/14/60/57/171146057.db2.gz FHLOJAOHFABYHY-GFCCVEGCSA-N 2 1 259.394 0.459 10 0 CCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H](O)c1ccccc1 ZINC000038031597 174026162 /nfs/dbraw/zinc/02/61/62/174026162.db2.gz MGGHFTHKNBAUOG-AWEZNQCLSA-N 2 1 277.368 0.084 10 0 CCAEMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H](O)c1ccccc1 ZINC000038031597 174026163 /nfs/dbraw/zinc/02/61/63/174026163.db2.gz MGGHFTHKNBAUOG-AWEZNQCLSA-N 2 1 277.368 0.084 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264139 414702507 /nfs/dbraw/zinc/70/25/07/414702507.db2.gz RLQZXRCZYZTPQP-KBPBESRZSA-N 2 1 267.417 0.924 10 0 CCAEMP CCN1CCC[C@H]1C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264139 414702508 /nfs/dbraw/zinc/70/25/08/414702508.db2.gz RLQZXRCZYZTPQP-KBPBESRZSA-N 2 1 267.417 0.924 10 0 CCAEMP CCN1CCC[C@H]1C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264139 414702509 /nfs/dbraw/zinc/70/25/09/414702509.db2.gz RLQZXRCZYZTPQP-KBPBESRZSA-N 2 1 267.417 0.924 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662845078 414836094 /nfs/dbraw/zinc/83/60/94/414836094.db2.gz DGUBDCPMYZFZPQ-STQMWFEESA-N 2 1 283.416 0.459 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000662911051 414886270 /nfs/dbraw/zinc/88/62/70/414886270.db2.gz QTSRXZURMTVLOG-TZMCWYRMSA-N 2 1 269.389 0.356 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@]1(C[NH3+])CN2CCC1CC2 ZINC000071188568 176062648 /nfs/dbraw/zinc/06/26/48/176062648.db2.gz HUZJWCJKUJZUQF-DZGCQCFKSA-N 2 1 266.433 0.293 10 0 CCAEMP CN(C[C@H]1CC[N@H+](C)C1)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000071188568 176062649 /nfs/dbraw/zinc/06/26/49/176062649.db2.gz HUZJWCJKUJZUQF-DZGCQCFKSA-N 3 1 266.433 0.293 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000071188568 176062650 /nfs/dbraw/zinc/06/26/50/176062650.db2.gz HUZJWCJKUJZUQF-DZGCQCFKSA-N 3 1 266.433 0.293 10 0 CCAEMP CCC[NH2+][C@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071191053 176067808 /nfs/dbraw/zinc/06/78/08/176067808.db2.gz QZHAEBNFEUBCNG-CHWSQXEVSA-N 2 1 270.421 0.114 10 0 CCAEMP CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000071586916 176213693 /nfs/dbraw/zinc/21/36/93/176213693.db2.gz CVVMFMUUJLERNJ-IJLUTSLNSA-N 2 1 260.403 0.623 10 0 CCAEMP CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000071586916 176213694 /nfs/dbraw/zinc/21/36/94/176213694.db2.gz CVVMFMUUJLERNJ-IJLUTSLNSA-N 2 1 260.403 0.623 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000094460103 544544071 /nfs/dbraw/zinc/54/40/71/544544071.db2.gz CAOVLDRCFNHOIS-NWDGAFQWSA-N 2 1 251.374 0.953 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000094647897 544544803 /nfs/dbraw/zinc/54/48/03/544544803.db2.gz GVQHRYJNGHIPSR-RWMBFGLXSA-N 2 1 253.390 0.833 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000136426639 544639276 /nfs/dbraw/zinc/63/92/76/544639276.db2.gz BWZPBCUUHPXSFF-CYBMUJFWSA-N 2 1 270.421 0.114 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000252651277 544930361 /nfs/dbraw/zinc/93/03/61/544930361.db2.gz GVQHRYJNGHIPSR-XQQFMLRXSA-N 2 1 253.390 0.833 10 0 CCAEMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)o1 ZINC000262130937 544940586 /nfs/dbraw/zinc/94/05/86/544940586.db2.gz NYJCTZBDTGTILG-PWSUYJOCSA-N 2 1 276.340 0.648 10 0 CCAEMP Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CNCCO2)cn1 ZINC000311129856 545012423 /nfs/dbraw/zinc/01/24/23/545012423.db2.gz WHNCHXXKGOKQQQ-STQMWFEESA-N 2 1 250.346 0.545 10 0 CCAEMP Cn1cc([C@@H]2CCC[N@H+]2C[C@@H]2CNCCO2)cn1 ZINC000311129856 545012424 /nfs/dbraw/zinc/01/24/24/545012424.db2.gz WHNCHXXKGOKQQQ-STQMWFEESA-N 2 1 250.346 0.545 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)C2CC2)CC1 ZINC000105862694 278394993 /nfs/dbraw/zinc/39/49/93/278394993.db2.gz KWGHUSMPAIVGMD-CYBMUJFWSA-N 2 1 297.443 0.632 10 0 CCAEMP CC[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000168006650 281130584 /nfs/dbraw/zinc/13/05/84/281130584.db2.gz YKKADAVBEBJOJC-HIFRSBDPSA-N 2 1 297.443 0.680 10 0 CCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333713976 289045855 /nfs/dbraw/zinc/04/58/55/289045855.db2.gz SSACLTFSOWIANB-MGPQQGTHSA-N 2 1 296.415 0.243 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250840651 295314016 /nfs/dbraw/zinc/31/40/16/295314016.db2.gz LWGCLSNRRKDQFX-YNEHKIRRSA-N 2 1 251.374 0.811 10 0 CCAEMP C[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043161 297121716 /nfs/dbraw/zinc/12/17/16/297121716.db2.gz UBPOFBUDCLUPTI-OCCSQVGLSA-N 2 1 281.400 0.450 10 0 CCAEMP C[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043161 297121720 /nfs/dbraw/zinc/12/17/20/297121720.db2.gz UBPOFBUDCLUPTI-OCCSQVGLSA-N 2 1 281.400 0.450 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000386825591 336180135 /nfs/dbraw/zinc/18/01/35/336180135.db2.gz UYOPJCQDDMVBMK-HUUCEWRRSA-N 2 1 291.395 0.612 10 0 CCAEMP CC(C)[NH2+]CCCS(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000049631686 519721065 /nfs/dbraw/zinc/72/10/65/519721065.db2.gz DMQGDBUHHMASGB-UHFFFAOYSA-N 2 1 277.434 0.342 10 0 CCAEMP CC(C)[NH2+]CCCS(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000049631686 519721067 /nfs/dbraw/zinc/72/10/67/519721067.db2.gz DMQGDBUHHMASGB-UHFFFAOYSA-N 2 1 277.434 0.342 10 0 CCAEMP CCO[C@H](C[NH3+])CC[N@@H+](CC(N)=O)C1CCCC1 ZINC000062741122 520516177 /nfs/dbraw/zinc/51/61/77/520516177.db2.gz SBUGJZHEZSYNKV-LBPRGKRZSA-N 2 1 257.378 0.470 10 0 CCAEMP CCOC(=O)[C@@H](N)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121679 521075115 /nfs/dbraw/zinc/07/51/15/521075115.db2.gz LNFBIGPYLJWTDV-LBPRGKRZSA-N 2 1 257.378 0.150 10 0 CCAEMP CC[C@](C)(C[NH3+])C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061653753 523460629 /nfs/dbraw/zinc/46/06/29/523460629.db2.gz ZCPOJCWPXBWACD-CQSZACIVSA-N 3 1 256.438 0.541 10 0 CCAEMP C[N@@H+]1CCCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000049630492 523810310 /nfs/dbraw/zinc/81/03/10/523810310.db2.gz CLJWEUOLYDCGRE-LBPRGKRZSA-N 2 1 275.418 0.096 10 0 CCAEMP C[N@H+]1CCCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000049630492 523810313 /nfs/dbraw/zinc/81/03/13/523810313.db2.gz CLJWEUOLYDCGRE-LBPRGKRZSA-N 2 1 275.418 0.096 10 0 CCAEMP O=C(C[C@@H]1CCCC[NH2+]1)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049570485 527109586 /nfs/dbraw/zinc/10/95/86/527109586.db2.gz CJTQVYFRMBKRER-RWMBFGLXSA-N 2 1 251.374 0.872 10 0 CCAEMP [NH3+]CCCCS(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049568658 527177088 /nfs/dbraw/zinc/17/70/88/527177088.db2.gz KGCQMLFVEAEBFR-NEPJUHHUSA-N 2 1 275.418 0.272 10 0 CCAEMP COc1ccccc1/C=C/C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263143954 536981197 /nfs/dbraw/zinc/98/11/97/536981197.db2.gz CMWKMBIDSVQBJF-CNPQOGTOSA-N 2 1 262.353 0.878 10 0 CCAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CCCOC1 ZINC000399212877 581208346 /nfs/dbraw/zinc/20/83/46/581208346.db2.gz YMMGBNBUFMRBMF-QWHCGFSZSA-N 2 1 256.390 0.848 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CCOC ZINC000220940902 615144179 /nfs/dbraw/zinc/14/41/79/615144179.db2.gz IJUBGNROTYQVFB-RYUDHWBXSA-N 2 1 257.378 0.293 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000300531334 648121630 /nfs/dbraw/zinc/12/16/30/648121630.db2.gz DIBHEBFRMZMSFB-WRWGMCAJSA-N 2 1 278.356 0.928 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000300531334 648121634 /nfs/dbraw/zinc/12/16/34/648121634.db2.gz DIBHEBFRMZMSFB-WRWGMCAJSA-N 2 1 278.356 0.928 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000251638489 649813879 /nfs/dbraw/zinc/81/38/79/649813879.db2.gz FTYIJNCHQKDSJC-FRRDWIJNSA-N 2 1 287.429 0.237 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000601325841 362222129 /nfs/dbraw/zinc/22/21/29/362222129.db2.gz GCFXVLROLHRBDD-VHSXEESVSA-N 2 1 270.377 0.137 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000601325841 362222137 /nfs/dbraw/zinc/22/21/37/362222137.db2.gz GCFXVLROLHRBDD-VHSXEESVSA-N 2 1 270.377 0.137 10 0 CCAEMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262392369 137042324 /nfs/dbraw/zinc/04/23/24/137042324.db2.gz OJRBRTCUDNNYGR-FRRDWIJNSA-N 2 1 297.443 0.846 10 0 CCAEMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262392369 137042325 /nfs/dbraw/zinc/04/23/25/137042325.db2.gz OJRBRTCUDNNYGR-FRRDWIJNSA-N 2 1 297.443 0.846 10 0 CCAEMP C[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000262433350 137043517 /nfs/dbraw/zinc/04/35/17/137043517.db2.gz UCDFRCWOICXEBG-RYUDHWBXSA-N 2 1 253.390 0.833 10 0 CCAEMP C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000262265934 137033636 /nfs/dbraw/zinc/03/36/36/137033636.db2.gz RZGIYODULLFFBF-WFASDCNBSA-N 2 1 273.380 0.985 10 0 CCAEMP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[N@@H+](C)Cc1ccccc1 ZINC000262326892 137038232 /nfs/dbraw/zinc/03/82/32/137038232.db2.gz GFMPPVCXJWJXMN-VHDGCEQUSA-N 2 1 291.395 0.203 10 0 CCAEMP Cc1cc(N2CCC(NC(=O)C3C[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000263316521 137063829 /nfs/dbraw/zinc/06/38/29/137063829.db2.gz QIFQGWXDHYHJHK-UHFFFAOYSA-N 2 1 289.383 0.398 10 0 CCAEMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1[NH+](C)C ZINC000310939437 137073123 /nfs/dbraw/zinc/07/31/23/137073123.db2.gz KSYAEYYOLIFXIO-XBFCOCLRSA-N 2 1 255.406 0.323 10 0 CCAEMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1OC ZINC000263195729 137060009 /nfs/dbraw/zinc/06/00/09/137060009.db2.gz IKEGDHBVGVBUFR-STQMWFEESA-N 2 1 280.368 0.764 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000263185987 137060169 /nfs/dbraw/zinc/06/01/69/137060169.db2.gz HGTGHOUSRZPPKW-ONGXEEELSA-N 2 1 278.381 0.808 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2cccnc2)n1 ZINC000263217342 137060266 /nfs/dbraw/zinc/06/02/66/137060266.db2.gz LBUCOZCSCFGIIQ-JSGCOSHPSA-N 2 1 287.367 0.152 10 0 CCAEMP CSCC[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942794 348673608 /nfs/dbraw/zinc/67/36/08/348673608.db2.gz YWQWYCKIMZDQJS-NEPJUHHUSA-N 2 1 271.430 0.764 10 0 CCAEMP CC(C)(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000129637083 350218789 /nfs/dbraw/zinc/21/87/89/350218789.db2.gz YWPWZOPJIQDYCI-CYBMUJFWSA-N 2 1 294.443 0.271 10 0 CCAEMP CC(C)(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000129718584 350221417 /nfs/dbraw/zinc/22/14/17/350221417.db2.gz KFACAUUMOIGMPV-LBPRGKRZSA-N 2 1 280.416 0.023 10 0 CCAEMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1([NH3+])CCOCC1 ZINC000132280761 350302317 /nfs/dbraw/zinc/30/23/17/350302317.db2.gz ZNLMAECVIXDORZ-QWHCGFSZSA-N 2 1 281.400 0.580 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1([NH3+])CCOCC1 ZINC000132280761 350302320 /nfs/dbraw/zinc/30/23/20/350302320.db2.gz ZNLMAECVIXDORZ-QWHCGFSZSA-N 2 1 281.400 0.580 10 0 CCAEMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136069513 350413470 /nfs/dbraw/zinc/41/34/70/350413470.db2.gz URRIWDZTVKNACI-GJZGRUSLSA-N 2 1 296.459 0.565 10 0 CCAEMP C[C@@H](C(=O)N(C)C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136069513 350413474 /nfs/dbraw/zinc/41/34/74/350413474.db2.gz URRIWDZTVKNACI-GJZGRUSLSA-N 2 1 296.459 0.565 10 0 CCAEMP CCCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862408 186080078 /nfs/dbraw/zinc/08/00/78/186080078.db2.gz AOCFWYLDKQYKIZ-KGLIPLIRSA-N 2 1 299.459 0.926 10 0 CCAEMP CCC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCOC)[NH+](C)C ZINC000162014662 350733547 /nfs/dbraw/zinc/73/35/47/350733547.db2.gz ILHMAHVAUFXMES-ZIAGYGMSSA-N 2 1 285.432 0.944 10 0 CCAEMP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)CCO1 ZINC000165907730 350793365 /nfs/dbraw/zinc/79/33/65/350793365.db2.gz KZGDHWGARRBLDX-AAEUAGOBSA-N 2 1 299.440 0.361 10 0 CCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)CCO1 ZINC000165907730 350793367 /nfs/dbraw/zinc/79/33/67/350793367.db2.gz KZGDHWGARRBLDX-AAEUAGOBSA-N 2 1 299.440 0.361 10 0 CCAEMP OC1(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC000169043849 350835399 /nfs/dbraw/zinc/83/53/99/350835399.db2.gz FHQXMTUHPMNEER-STQMWFEESA-N 2 1 254.374 0.744 10 0 CCAEMP OC1(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCOCC1 ZINC000169043849 350835402 /nfs/dbraw/zinc/83/54/02/350835402.db2.gz FHQXMTUHPMNEER-STQMWFEESA-N 2 1 254.374 0.744 10 0 CCAEMP CC[N@@H+](CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000171906517 350942524 /nfs/dbraw/zinc/94/25/24/350942524.db2.gz GGZLWAIMTJQABL-CQSZACIVSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+](CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000171906517 350942529 /nfs/dbraw/zinc/94/25/29/350942529.db2.gz GGZLWAIMTJQABL-CQSZACIVSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+](CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000171906517 350942534 /nfs/dbraw/zinc/94/25/34/350942534.db2.gz GGZLWAIMTJQABL-CQSZACIVSA-N 2 1 280.416 0.960 10 0 CCAEMP C(CN1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000177756208 351212255 /nfs/dbraw/zinc/21/22/55/351212255.db2.gz GYFHLWTUTUQEME-HNNXBMFYSA-N 2 1 267.417 0.879 10 0 CCAEMP C(CN1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000177756208 351212257 /nfs/dbraw/zinc/21/22/57/351212257.db2.gz GYFHLWTUTUQEME-HNNXBMFYSA-N 2 1 267.417 0.879 10 0 CCAEMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000182354695 351359966 /nfs/dbraw/zinc/35/99/66/351359966.db2.gz QCVJWRRNQFBUAJ-CABCVRRESA-N 2 1 296.459 0.598 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188690140 351618144 /nfs/dbraw/zinc/61/81/44/351618144.db2.gz SRZREGDESXZWPX-SNVBAGLBSA-N 2 1 277.372 0.270 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227696501 352057668 /nfs/dbraw/zinc/05/76/68/352057668.db2.gz NLRRQYODFOFEOF-TZMCWYRMSA-N 2 1 253.390 0.977 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000235284763 352181736 /nfs/dbraw/zinc/18/17/36/352181736.db2.gz YQXLFTHAWKXLNU-FVCCEPFGSA-N 2 1 251.374 0.537 10 0 CCAEMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000247111315 352400696 /nfs/dbraw/zinc/40/06/96/352400696.db2.gz QPTKIVSPBWRTBA-RDBSUJKOSA-N 2 1 255.406 0.779 10 0 CCAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000247489482 352416708 /nfs/dbraw/zinc/41/67/08/352416708.db2.gz WTSNXSIKCYZYFT-RBSFLKMASA-N 2 1 296.459 0.467 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000247489482 352416712 /nfs/dbraw/zinc/41/67/12/352416712.db2.gz WTSNXSIKCYZYFT-RBSFLKMASA-N 2 1 296.459 0.467 10 0 CCAEMP COC[C@@H](O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328646908 354245682 /nfs/dbraw/zinc/24/56/82/354245682.db2.gz SWQUEJNGHIFBSY-RYUDHWBXSA-N 2 1 253.346 0.385 10 0 CCAEMP COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328646908 354245683 /nfs/dbraw/zinc/24/56/83/354245683.db2.gz SWQUEJNGHIFBSY-RYUDHWBXSA-N 2 1 253.346 0.385 10 0 CCAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000324483757 354230824 /nfs/dbraw/zinc/23/08/24/354230824.db2.gz JPWNJZWTLSYFKX-STQMWFEESA-N 2 1 258.406 0.830 10 0 CCAEMP C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@H+]1CCC[C@@H](C)C1 ZINC000333948736 354819014 /nfs/dbraw/zinc/81/90/14/354819014.db2.gz WPIQAUGDOSWJCW-MQYQWHSLSA-N 2 1 298.431 0.081 10 0 CCAEMP O=C1[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCN1C1CCC1 ZINC000629674178 369753039 /nfs/dbraw/zinc/75/30/39/369753039.db2.gz XSKGQIDBMGQCQJ-WCQYABFASA-N 2 1 251.374 0.729 10 0 CCAEMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)CC(C)C ZINC000236885584 189850002 /nfs/dbraw/zinc/85/00/02/189850002.db2.gz HHTOLVAXCMPDER-UONOGXRCSA-N 2 1 285.432 0.848 10 0 CCAEMP C[C@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC[N@H+]1C ZINC000634768524 372215875 /nfs/dbraw/zinc/21/58/75/372215875.db2.gz NQXMFZYDJYJKNO-ABHRYQDASA-N 2 1 265.401 0.975 10 0 CCAEMP CCc1nc(NC[C@H]2C[NH2+]CCCO2)cc(C)[nH+]1 ZINC000333497682 205377273 /nfs/dbraw/zinc/37/72/73/205377273.db2.gz CDJMPGOPEJGQPH-LLVKDONJSA-N 2 1 250.346 0.560 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638081314 374639368 /nfs/dbraw/zinc/63/93/68/374639368.db2.gz XQJRBOWDTUZDIF-OBJOEFQTSA-N 2 1 269.389 0.354 10 0 CCAEMP CC[N@@H+](CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)C1CC1 ZINC000246363828 285017040 /nfs/dbraw/zinc/01/70/40/285017040.db2.gz XQZZNFMCURZRLN-STQMWFEESA-N 2 1 283.416 0.384 10 0 CCAEMP CC[N@H+](CC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1)C1CC1 ZINC000246363828 285017042 /nfs/dbraw/zinc/01/70/42/285017042.db2.gz XQZZNFMCURZRLN-STQMWFEESA-N 2 1 283.416 0.384 10 0 CCAEMP CC[N@@H+](CC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1)C1CC1 ZINC000246363828 285017044 /nfs/dbraw/zinc/01/70/44/285017044.db2.gz XQZZNFMCURZRLN-STQMWFEESA-N 2 1 283.416 0.384 10 0 CCAEMP CC[NH+](CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C1CC1 ZINC000246363828 285017045 /nfs/dbraw/zinc/01/70/45/285017045.db2.gz XQZZNFMCURZRLN-STQMWFEESA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1C ZINC000246850161 285034862 /nfs/dbraw/zinc/03/48/62/285034862.db2.gz VROKIYUOFMPWLD-CABCVRRESA-N 2 1 269.433 0.859 10 0 CCAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC000248638079 285072039 /nfs/dbraw/zinc/07/20/39/285072039.db2.gz ATLXXFATDZQLEH-GJZGRUSLSA-N 2 1 288.395 0.724 10 0 CCAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000248638079 285072042 /nfs/dbraw/zinc/07/20/42/285072042.db2.gz ATLXXFATDZQLEH-GJZGRUSLSA-N 2 1 288.395 0.724 10 0 CCAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000248638079 285072044 /nfs/dbraw/zinc/07/20/44/285072044.db2.gz ATLXXFATDZQLEH-GJZGRUSLSA-N 2 1 288.395 0.724 10 0 CCAEMP COC[C@H]1CCC[N@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2C[NH3+] ZINC000020503921 388795744 /nfs/dbraw/zinc/79/57/44/388795744.db2.gz KPBSHQYUMFLVOZ-BYNSBNAKSA-N 2 1 267.417 0.766 10 0 CCAEMP CC(=O)NCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862705 389088814 /nfs/dbraw/zinc/08/88/14/389088814.db2.gz LHBBWHIIRMVBEV-ZDUSSCGKSA-N 2 1 285.432 0.537 10 0 CCAEMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000332700054 389358716 /nfs/dbraw/zinc/35/87/16/389358716.db2.gz ASZSJLBKJOODJE-KBPBESRZSA-N 2 1 298.431 0.348 10 0 CCAEMP CC[C@H](C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588066 389477617 /nfs/dbraw/zinc/47/76/17/389477617.db2.gz MUOFIFGBHXCAOB-UONOGXRCSA-N 2 1 299.459 0.926 10 0 CCAEMP O=C(N[C@H]1C[C@H]2C[NH2+][C@@H]1C2)c1cc2c[nH+]cn2cn1 ZINC000168856659 389451671 /nfs/dbraw/zinc/45/16/71/389451671.db2.gz USEYBNCKQCQBCZ-GDPRMGEGSA-N 2 1 257.297 0.210 10 0 CCAEMP O[C@]1(CN[C@H]2CC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422980754 389516115 /nfs/dbraw/zinc/51/61/15/389516115.db2.gz QXLUGGHCXWXGBX-HOTGVXAUSA-N 2 1 275.396 0.575 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578365164 390880049 /nfs/dbraw/zinc/88/00/49/390880049.db2.gz YIXFSTLARDNONW-WUHRBBMRSA-N 2 1 251.374 0.809 10 0 CCAEMP CC[NH+]1CCN(c2nc[nH+]c(NNC(C)(C)C)c2N)CC1 ZINC000040726763 134870238 /nfs/dbraw/zinc/87/02/38/134870238.db2.gz GRUKVHKDRHWZTO-UHFFFAOYSA-N 2 1 293.419 0.916 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000384255339 397495407 /nfs/dbraw/zinc/49/54/07/397495407.db2.gz OCNAAEWJWOQQSN-KBPBESRZSA-N 2 1 282.432 0.128 10 0 CCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000389083885 397509175 /nfs/dbraw/zinc/50/91/75/397509175.db2.gz LXMNPWFWPGQFRA-SOUVJXGZSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000389083885 397509176 /nfs/dbraw/zinc/50/91/76/397509176.db2.gz LXMNPWFWPGQFRA-SOUVJXGZSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000389083885 397509179 /nfs/dbraw/zinc/50/91/79/397509179.db2.gz LXMNPWFWPGQFRA-SOUVJXGZSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000389083885 397509181 /nfs/dbraw/zinc/50/91/81/397509181.db2.gz LXMNPWFWPGQFRA-SOUVJXGZSA-N 2 1 270.417 0.926 10 0 CCAEMP C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328645298 411759951 /nfs/dbraw/zinc/75/99/51/411759951.db2.gz ZNZCWHORRMNVQG-VXGBXAGGSA-N 2 1 277.372 0.840 10 0 CCAEMP C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328645298 411759955 /nfs/dbraw/zinc/75/99/55/411759955.db2.gz ZNZCWHORRMNVQG-VXGBXAGGSA-N 2 1 277.372 0.840 10 0 CCAEMP COCCNC(=O)[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000020316539 171147318 /nfs/dbraw/zinc/14/73/18/171147318.db2.gz SLDTXOCXFOXODS-LLVKDONJSA-N 2 1 259.394 0.315 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022217619 171376224 /nfs/dbraw/zinc/37/62/24/171376224.db2.gz LKOZAPOUKJMSKF-CYBMUJFWSA-N 2 1 297.424 0.908 10 0 CCAEMP C[N@@H+](CCCOc1ccc(C[NH3+])cc1)CC(N)=O ZINC000037268372 173079736 /nfs/dbraw/zinc/07/97/36/173079736.db2.gz WIBZUUUQSGGJHP-UHFFFAOYSA-N 2 1 251.330 0.331 10 0 CCAEMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000037758678 173683677 /nfs/dbraw/zinc/68/36/77/173683677.db2.gz IIHVKEJMWSOWRB-VXGBXAGGSA-N 2 1 251.374 0.729 10 0 CCAEMP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc(C)c1O ZINC000038030954 174022754 /nfs/dbraw/zinc/02/27/54/174022754.db2.gz XBPBHYVIYSJSJO-UHFFFAOYSA-N 2 1 291.395 0.873 10 0 CCAEMP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc(C)c1O ZINC000038030954 174022756 /nfs/dbraw/zinc/02/27/56/174022756.db2.gz 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/nfs/dbraw/zinc/06/20/69/176062069.db2.gz KZFORQAQFLWKAT-GFCCVEGCSA-N 2 1 264.373 0.314 10 0 CCAEMP C[NH+](CCn1cc(N)ccc1=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187793 176062070 /nfs/dbraw/zinc/06/20/70/176062070.db2.gz KZFORQAQFLWKAT-GFCCVEGCSA-N 2 1 264.373 0.314 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000054308263 544443106 /nfs/dbraw/zinc/44/31/06/544443106.db2.gz IEQNEFYSWNFWEU-GFCCVEGCSA-N 2 1 251.374 0.683 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000054308264 544443526 /nfs/dbraw/zinc/44/35/26/544443526.db2.gz IEQNEFYSWNFWEU-LBPRGKRZSA-N 2 1 251.374 0.683 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000094647899 544544954 /nfs/dbraw/zinc/54/49/54/544544954.db2.gz GVQHRYJNGHIPSR-AVGNSLFASA-N 2 1 253.390 0.833 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000262098292 544939274 /nfs/dbraw/zinc/93/92/74/544939274.db2.gz IJGDZRNXYICHNA-ZBFHGGJFSA-N 2 1 291.395 0.193 10 0 CCAEMP 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280.416 0.960 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173500214 279309842 /nfs/dbraw/zinc/30/98/42/279309842.db2.gz XSCFMUJHPVSMIJ-ZIAGYGMSSA-N 2 1 280.416 0.960 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000246178550 290091180 /nfs/dbraw/zinc/09/11/80/290091180.db2.gz BXQMQDJSJMJVCY-STQMWFEESA-N 2 1 283.416 0.290 10 0 CCAEMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2C[NH2+]C2)C1 ZINC000335379872 290172860 /nfs/dbraw/zinc/17/28/60/290172860.db2.gz UPWHFPCVERSTJH-CMPLNLGQSA-N 2 1 252.362 0.084 10 0 CCAEMP OCCN1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000384746805 545085366 /nfs/dbraw/zinc/08/53/66/545085366.db2.gz RPJOIMJRTZETOC-SOUVJXGZSA-N 2 1 267.417 0.660 10 0 CCAEMP OCC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000384746805 545085369 /nfs/dbraw/zinc/08/53/69/545085369.db2.gz RPJOIMJRTZETOC-SOUVJXGZSA-N 2 1 267.417 0.660 10 0 CCAEMP OCC[NH+]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000384746805 545085370 /nfs/dbraw/zinc/08/53/70/545085370.db2.gz RPJOIMJRTZETOC-SOUVJXGZSA-N 2 1 267.417 0.660 10 0 CCAEMP [NH3+]C1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000333663123 295211385 /nfs/dbraw/zinc/21/13/85/295211385.db2.gz LXJFHABHHDFYBM-BPCQOVAHSA-N 2 1 266.389 0.746 10 0 CCAEMP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCN(CC)CC2)O1 ZINC000052422484 519955787 /nfs/dbraw/zinc/95/57/87/519955787.db2.gz MWERYMWATXSYJY-UONOGXRCSA-N 2 1 255.406 0.781 10 0 CCAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCS(=O)(=O)C1 ZINC000054627667 521956729 /nfs/dbraw/zinc/95/67/29/521956729.db2.gz UATSJTQQEJOXJL-FGNRJIRKSA-N 2 1 258.387 0.388 10 0 CCAEMP CCC[NH2+]C[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000053012454 519936597 /nfs/dbraw/zinc/93/65/97/519936597.db2.gz SAKFLVCMKGWMPO-CQSZACIVSA-N 2 1 255.406 0.640 10 0 CCAEMP CCC[NH2+][C@H](CC[N@H+](CCOC)[C@@H](C)CC)C(N)=O ZINC000062522872 520074767 /nfs/dbraw/zinc/07/47/67/520074767.db2.gz AVAFKDNVRXOWFA-QWHCGFSZSA-N 2 1 273.421 0.977 10 0 CCAEMP 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UATSJTQQEJOXJL-FGNRJIRKSA-N 2 1 258.387 0.388 10 0 CCAEMP COCC[N@@H+](CCn1cc(C[NH3+])nn1)[C@H](C)C1CC1 ZINC000052545390 523729419 /nfs/dbraw/zinc/72/94/19/523729419.db2.gz JRDQIKUZRKIWMD-LLVKDONJSA-N 2 1 267.377 0.484 10 0 CCAEMP [NH3+]Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000061710170 527256039 /nfs/dbraw/zinc/25/60/39/527256039.db2.gz UKQALMJBXINFSW-CYBMUJFWSA-N 2 1 263.341 0.541 10 0 CCAEMP O[C@H](C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)C[NH+]1CCCCC1 ZINC000667797914 545156375 /nfs/dbraw/zinc/15/63/75/545156375.db2.gz AQWSXCAOFIXBPZ-RRFJBIMHSA-N 2 1 268.401 0.990 10 0 CCAEMP C[C@H]1CN(C(=O)CCCCC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000155820028 649293355 /nfs/dbraw/zinc/29/33/55/649293355.db2.gz JSKBASRHIJOCSW-UONOGXRCSA-N 2 1 283.416 0.685 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544178 349466294 /nfs/dbraw/zinc/46/62/94/349466294.db2.gz DNNIFKSZFODQCB-STQMWFEESA-N 2 1 269.389 0.295 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH+](C)C ZINC000116467463 349870703 /nfs/dbraw/zinc/87/07/03/349870703.db2.gz CBEXUXROYNQXOA-HIFRSBDPSA-N 2 1 290.411 0.970 10 0 CCAEMP CN1CCO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250372270 137001416 /nfs/dbraw/zinc/00/14/16/137001416.db2.gz JAJBDHWXQTWVNA-HZSPNIEDSA-N 2 1 253.390 0.533 10 0 CCAEMP C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1C[NH2+]C1 ZINC000262392379 137042166 /nfs/dbraw/zinc/04/21/66/137042166.db2.gz OJRBRTCUDNNYGR-UPJWGTAASA-N 2 1 297.443 0.846 10 0 CCAEMP Cc1cccc2ncc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)n21 ZINC000263129531 137058905 /nfs/dbraw/zinc/05/89/05/137058905.db2.gz BOFFZKFPFKPZNI-AAEUAGOBSA-N 2 1 260.341 0.313 10 0 CCAEMP C[C@H]([NH3+])CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000261864622 137023187 /nfs/dbraw/zinc/02/31/87/137023187.db2.gz PYKNCWCKGXPRJV-NWDGAFQWSA-N 2 1 269.389 0.435 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000263253597 137061836 /nfs/dbraw/zinc/06/18/36/137061836.db2.gz QEBAWJAIEZVOKW-KCJUWKMLSA-N 2 1 260.259 0.774 10 0 CCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000305770372 137070562 /nfs/dbraw/zinc/07/05/62/137070562.db2.gz XQTYRYJTKCXCDW-OCCSQVGLSA-N 2 1 283.416 0.290 10 0 CCAEMP CC(C)Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263219910 137060581 /nfs/dbraw/zinc/06/05/81/137060581.db2.gz LRMOEOONIFAICM-CHWSQXEVSA-N 2 1 252.362 0.209 10 0 CCAEMP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000031333768 348124412 /nfs/dbraw/zinc/12/44/12/348124412.db2.gz JSCSSJKVVXQJON-NSHDSACASA-N 2 1 264.329 0.320 10 0 CCAEMP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cn2c[nH+]cc2cn1 ZINC000039073358 348228237 /nfs/dbraw/zinc/22/82/37/348228237.db2.gz QYTODHDUENJTBM-KKZNHRDASA-N 2 1 257.297 0.210 10 0 CCAEMP C[C@@H]1C[N@H+](CCC(=O)NC[C@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000067804288 348785654 /nfs/dbraw/zinc/78/56/54/348785654.db2.gz XDGXVRHPYKZBLH-HZSPNIEDSA-N 2 1 283.416 0.554 10 0 CCAEMP C[C@@H]1C[NH+](CCC(=O)NC[C@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000067804288 348785660 /nfs/dbraw/zinc/78/56/60/348785660.db2.gz XDGXVRHPYKZBLH-HZSPNIEDSA-N 2 1 283.416 0.554 10 0 CCAEMP C[C@@H]1C[NH+](CCC(=O)NC[C@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000067804288 348785665 /nfs/dbraw/zinc/78/56/65/348785665.db2.gz XDGXVRHPYKZBLH-HZSPNIEDSA-N 2 1 283.416 0.554 10 0 CCAEMP CCOCC[N@@H+]1CCN(C(=O)C[NH2+]C2CC2)C[C@H]1CC ZINC000154654772 350595532 /nfs/dbraw/zinc/59/55/32/350595532.db2.gz SBPMSPCJZASPGK-CQSZACIVSA-N 2 1 283.416 0.698 10 0 CCAEMP CCOCC[N@H+]1CCN(C(=O)C[NH2+]C2CC2)C[C@H]1CC ZINC000154654772 350595535 /nfs/dbraw/zinc/59/55/35/350595535.db2.gz SBPMSPCJZASPGK-CQSZACIVSA-N 2 1 283.416 0.698 10 0 CCAEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CN3CCCC3=O)CC[C@@H]21 ZINC000158963590 350664944 /nfs/dbraw/zinc/66/49/44/350664944.db2.gz SPCUJQYHEMZSPM-ILXRZTDVSA-N 2 1 295.427 0.386 10 0 CCAEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)CC[C@@H]21 ZINC000158963590 350664948 /nfs/dbraw/zinc/66/49/48/350664948.db2.gz SPCUJQYHEMZSPM-ILXRZTDVSA-N 2 1 295.427 0.386 10 0 CCAEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)CC[C@@H]21 ZINC000158963590 350664951 /nfs/dbraw/zinc/66/49/51/350664951.db2.gz SPCUJQYHEMZSPM-ILXRZTDVSA-N 2 1 295.427 0.386 10 0 CCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)C[NH+](C)C)CC2)CCO1 ZINC000171187234 350891442 /nfs/dbraw/zinc/89/14/42/350891442.db2.gz RBWUHDJQXRVYBD-LBPRGKRZSA-N 2 1 269.389 0.260 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188764702 351626611 /nfs/dbraw/zinc/62/66/11/351626611.db2.gz HRTMXZMBJSXAFI-LLVKDONJSA-N 2 1 291.399 0.612 10 0 CCAEMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192842462 351801068 /nfs/dbraw/zinc/80/10/68/351801068.db2.gz BALKSVSACRJLBN-HNSVSWJLSA-N 3 1 280.460 0.837 10 0 CCAEMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192842479 351801324 /nfs/dbraw/zinc/80/13/24/351801324.db2.gz BALKSVSACRJLBN-WZYMTQMTSA-N 3 1 280.460 0.837 10 0 CCAEMP CCC[N@@H+](CC)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226407651 352026623 /nfs/dbraw/zinc/02/66/23/352026623.db2.gz MOESGHVAPBQFFU-UHFFFAOYSA-N 2 1 284.448 0.518 10 0 CCAEMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236823581 352218917 /nfs/dbraw/zinc/21/89/17/352218917.db2.gz XVCDUSGBGDWNIP-STQMWFEESA-N 2 1 269.389 0.211 10 0 CCAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236823581 352218922 /nfs/dbraw/zinc/21/89/22/352218922.db2.gz XVCDUSGBGDWNIP-STQMWFEESA-N 2 1 269.389 0.211 10 0 CCAEMP CC[NH+]1CCC(CCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000236852482 352222154 /nfs/dbraw/zinc/22/21/54/352222154.db2.gz SXJRVJIONUJZGV-CYBMUJFWSA-N 2 1 269.389 0.213 10 0 CCAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245424201 352321846 /nfs/dbraw/zinc/32/18/46/352321846.db2.gz CDCQXUKYSNNMPW-CHWSQXEVSA-N 2 1 269.389 0.260 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245424201 352321850 /nfs/dbraw/zinc/32/18/50/352321850.db2.gz CDCQXUKYSNNMPW-CHWSQXEVSA-N 2 1 269.389 0.260 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245424201 352321853 /nfs/dbraw/zinc/32/18/53/352321853.db2.gz CDCQXUKYSNNMPW-CHWSQXEVSA-N 2 1 269.389 0.260 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245424201 352321856 /nfs/dbraw/zinc/32/18/56/352321856.db2.gz CDCQXUKYSNNMPW-CHWSQXEVSA-N 2 1 269.389 0.260 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)CCO1 ZINC000246294788 352360025 /nfs/dbraw/zinc/36/00/25/352360025.db2.gz NOARNQOZQOVVRA-RDBSUJKOSA-N 2 1 295.427 0.826 10 0 CCAEMP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246706612 352379942 /nfs/dbraw/zinc/37/99/42/352379942.db2.gz WONGHZNDAWKRNB-TZMCWYRMSA-N 2 1 276.384 0.628 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250229457 352503482 /nfs/dbraw/zinc/50/34/82/352503482.db2.gz FYASOLXPIYQHIS-CHWSQXEVSA-N 2 1 253.390 0.834 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000262130503 352580943 /nfs/dbraw/zinc/58/09/43/352580943.db2.gz MKXOYTWGXSFUJX-OCCSQVGLSA-N 2 1 283.416 0.826 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000335593658 291188644 /nfs/dbraw/zinc/18/86/44/291188644.db2.gz JTVWBUKOCYDITJ-YPMHNXCESA-N 2 1 251.374 0.681 10 0 CCAEMP Cc1cc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631840367 370706587 /nfs/dbraw/zinc/70/65/87/370706587.db2.gz SECWSCVGWCGPNI-KOLCDFICSA-N 2 1 266.345 0.260 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631842874 370707958 /nfs/dbraw/zinc/70/79/58/370707958.db2.gz GZTYIQNXSKLVHA-WCQYABFASA-N 2 1 279.359 0.969 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631842874 370707962 /nfs/dbraw/zinc/70/79/62/370707962.db2.gz GZTYIQNXSKLVHA-WCQYABFASA-N 2 1 279.359 0.969 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000631842602 370708735 /nfs/dbraw/zinc/70/87/35/370708735.db2.gz CPDWBYJVYZEONF-GXTWGEPZSA-N 2 1 261.369 0.829 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000631842602 370708739 /nfs/dbraw/zinc/70/87/39/370708739.db2.gz CPDWBYJVYZEONF-GXTWGEPZSA-N 2 1 261.369 0.829 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@H](CC[NH3+])C1 ZINC000616682472 365422727 /nfs/dbraw/zinc/42/27/27/365422727.db2.gz ZZXLHEGWNKCVMB-GFCCVEGCSA-N 2 1 287.404 0.951 10 0 CCAEMP COc1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)nn1C ZINC000634998427 372335425 /nfs/dbraw/zinc/33/54/25/372335425.db2.gz FNSDMFYPETVWEQ-GXSJLCMTSA-N 2 1 252.362 0.764 10 0 CCAEMP COc1c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)nn1C ZINC000634998427 372335428 /nfs/dbraw/zinc/33/54/28/372335428.db2.gz FNSDMFYPETVWEQ-GXSJLCMTSA-N 2 1 252.362 0.764 10 0 CCAEMP COc1c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)nn1C ZINC000634998428 372335434 /nfs/dbraw/zinc/33/54/34/372335434.db2.gz FNSDMFYPETVWEQ-KOLCDFICSA-N 2 1 252.362 0.764 10 0 CCAEMP COc1c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)nn1C ZINC000634998428 372335440 /nfs/dbraw/zinc/33/54/40/372335440.db2.gz FNSDMFYPETVWEQ-KOLCDFICSA-N 2 1 252.362 0.764 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000333133845 205057638 /nfs/dbraw/zinc/05/76/38/205057638.db2.gz CBFZTFQSPKCHPS-AGIUHOORSA-N 2 1 268.405 0.766 10 0 CCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333362651 205255847 /nfs/dbraw/zinc/25/58/47/205255847.db2.gz LIEORQLMXGCCAB-OLZOCXBDSA-N 2 1 268.405 0.770 10 0 CCAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333437371 205321680 /nfs/dbraw/zinc/32/16/80/205321680.db2.gz VNZNRAPJOYHOTE-IHRRRGAJSA-N 2 1 298.431 0.225 10 0 CCAEMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000334805050 207107541 /nfs/dbraw/zinc/10/75/41/207107541.db2.gz REEIOCPFHJRDFG-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000334805050 207107545 /nfs/dbraw/zinc/10/75/45/207107545.db2.gz REEIOCPFHJRDFG-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000334805050 207107547 /nfs/dbraw/zinc/10/75/47/207107547.db2.gz REEIOCPFHJRDFG-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000111866926 285033613 /nfs/dbraw/zinc/03/36/13/285033613.db2.gz POSPLXCBYBZDOF-UONOGXRCSA-N 2 1 298.431 0.443 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000335285375 208101125 /nfs/dbraw/zinc/10/11/25/208101125.db2.gz MOBNLJXPOIWSFM-NWDGAFQWSA-N 2 1 254.378 0.474 10 0 CCAEMP CSC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000249137563 285104084 /nfs/dbraw/zinc/10/40/84/285104084.db2.gz ICDWFCMBJMJLED-TZMCWYRMSA-N 2 1 290.473 0.735 10 0 CCAEMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000188748003 388940093 /nfs/dbraw/zinc/94/00/93/388940093.db2.gz QGXBBVQKWANGIN-LLVKDONJSA-N 2 1 289.383 0.366 10 0 CCAEMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000188748003 388940096 /nfs/dbraw/zinc/94/00/96/388940096.db2.gz QGXBBVQKWANGIN-LLVKDONJSA-N 2 1 289.383 0.366 10 0 CCAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121197704 389147602 /nfs/dbraw/zinc/14/76/02/389147602.db2.gz RFMPJRIJQQXLOB-GRYCIOLGSA-N 2 1 277.434 0.244 10 0 CCAEMP c1cc(NC[C@@H]2C[NH2+]CCCO2)nc(N2CCCCC2)[nH+]1 ZINC000333671065 389439492 /nfs/dbraw/zinc/43/94/92/389439492.db2.gz NCLVTPFYIPXDDJ-ZDUSSCGKSA-N 2 1 291.399 0.679 10 0 CCAEMP CC(C)[N@H+](C)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176458286 389558497 /nfs/dbraw/zinc/55/84/97/389558497.db2.gz IDEAVYFTWDCTKZ-CQSZACIVSA-N 2 1 299.459 0.878 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000647971242 390235201 /nfs/dbraw/zinc/23/52/01/390235201.db2.gz ZQONXQGEKJVOPZ-ZIAGYGMSSA-N 2 1 257.422 0.571 10 0 CCAEMP OCC[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657943519 413077649 /nfs/dbraw/zinc/07/76/49/413077649.db2.gz PDMJZLLUERFQDF-CYBMUJFWSA-N 2 1 254.374 0.744 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392816900 397513170 /nfs/dbraw/zinc/51/31/70/397513170.db2.gz MRXGOEZSUADRHK-OLZOCXBDSA-N 2 1 251.374 0.753 10 0 CCAEMP C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000261803857 296815798 /nfs/dbraw/zinc/81/57/98/296815798.db2.gz MUEXRRFZXZLTAR-LXTVHRRPSA-N 2 1 295.427 0.683 10 0 CCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653115129 412225807 /nfs/dbraw/zinc/22/58/07/412225807.db2.gz DKLMLCMCWVULPO-NXEZZACHSA-N 2 1 281.322 0.841 10 0 CCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1COC2(CCCC2)O1 ZINC000038031473 174026270 /nfs/dbraw/zinc/02/62/70/174026270.db2.gz PJTHSCBZIQYYIP-ZDUSSCGKSA-N 2 1 297.399 0.036 10 0 CCAEMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1COC2(CCCC2)O1 ZINC000038031473 174026272 /nfs/dbraw/zinc/02/62/72/174026272.db2.gz PJTHSCBZIQYYIP-ZDUSSCGKSA-N 2 1 297.399 0.036 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000662911048 414884164 /nfs/dbraw/zinc/88/41/64/414884164.db2.gz QTSRXZURMTVLOG-GXTWGEPZSA-N 2 1 269.389 0.356 10 0 CCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[NH2+]C2)C1 ZINC000665282777 415586928 /nfs/dbraw/zinc/58/69/28/415586928.db2.gz BNHPVEZWMLMIFL-IAGOWNOFSA-N 2 1 288.439 0.754 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)CC1CC[NH2+]CC1 ZINC000071189557 176065968 /nfs/dbraw/zinc/06/59/68/176065968.db2.gz GKRLHNBHNBUQMB-ZDUSSCGKSA-N 2 1 253.390 0.786 10 0 CCAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092954350 544535818 /nfs/dbraw/zinc/53/58/18/544535818.db2.gz AGMANHAXDRNZEA-XQQFMLRXSA-N 2 1 251.374 0.681 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000136424554 544639487 /nfs/dbraw/zinc/63/94/87/544639487.db2.gz UCIHOSYFJCJKRI-CABCVRRESA-N 2 1 298.475 0.748 10 0 CCAEMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)o1 ZINC000262130936 544940808 /nfs/dbraw/zinc/94/08/08/544940808.db2.gz NYJCTZBDTGTILG-JQWIXIFHSA-N 2 1 276.340 0.648 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1C ZINC000333677259 545041750 /nfs/dbraw/zinc/04/17/50/545041750.db2.gz OFTGXDOVVIMJLQ-MGPQQGTHSA-N 2 1 298.431 0.489 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1C ZINC000333677259 545041752 /nfs/dbraw/zinc/04/17/52/545041752.db2.gz OFTGXDOVVIMJLQ-MGPQQGTHSA-N 2 1 298.431 0.489 10 0 CCAEMP c1cc(NC[C@H]2C[NH2+]CCO2)nc(N2CCCCC2)[nH+]1 ZINC000333729673 545042447 /nfs/dbraw/zinc/04/24/47/545042447.db2.gz VWSKAXNVVRGJBL-GFCCVEGCSA-N 2 1 277.372 0.289 10 0 CCAEMP C1Cc2[nH+]c(N3CCOCC3)nc(N3CC[NH2+]CC3)c2C1 ZINC000057328788 273483066 /nfs/dbraw/zinc/48/30/66/273483066.db2.gz DYBCLOKOTZVMGT-UHFFFAOYSA-N 2 1 289.383 0.212 10 0 CCAEMP CC(=O)NCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862707 277029750 /nfs/dbraw/zinc/02/97/50/277029750.db2.gz LHBBWHIIRMVBEV-CYBMUJFWSA-N 2 1 285.432 0.537 10 0 CCAEMP O=C([C@@H]1CCCC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747279 280081958 /nfs/dbraw/zinc/08/19/58/280081958.db2.gz GTHJNYUBENBCRW-ZDUSSCGKSA-N 2 1 251.374 0.825 10 0 CCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC1([NH3+])CCC1 ZINC000333802855 289045613 /nfs/dbraw/zinc/04/56/13/289045613.db2.gz ICKVLGQIAPRHHF-CHWSQXEVSA-N 2 1 296.415 0.372 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000389132467 545086372 /nfs/dbraw/zinc/08/63/72/545086372.db2.gz FKBJVLJKAMRXQB-GFCCVEGCSA-N 2 1 269.389 0.342 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000182823438 521109097 /nfs/dbraw/zinc/10/90/97/521109097.db2.gz HUAAZKVNSGXOHZ-NEPJUHHUSA-N 2 1 257.378 0.029 10 0 CCAEMP CN(CC[NH2+]C1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000062767743 522863808 /nfs/dbraw/zinc/86/38/08/522863808.db2.gz GMXFJZPAYOEYJV-CQSZACIVSA-N 2 1 255.406 0.781 10 0 CCAEMP CN(CC[NH2+]C1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000062767742 522865224 /nfs/dbraw/zinc/86/52/24/522865224.db2.gz GMXFJZPAYOEYJV-AWEZNQCLSA-N 2 1 255.406 0.781 10 0 CCAEMP C[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631240 523844367 /nfs/dbraw/zinc/84/43/67/523844367.db2.gz SQDCRCQTNOBBMP-RYUDHWBXSA-N 2 1 275.418 0.142 10 0 CCAEMP C[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631240 523844375 /nfs/dbraw/zinc/84/43/75/523844375.db2.gz SQDCRCQTNOBBMP-RYUDHWBXSA-N 2 1 275.418 0.142 10 0 CCAEMP C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H]1[NH3+] ZINC000055136306 524266612 /nfs/dbraw/zinc/26/66/12/524266612.db2.gz RIPAFWCVBDTQQN-FDYHWXHSSA-N 2 1 253.390 0.960 10 0 CCAEMP OCC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667842947 545157518 /nfs/dbraw/zinc/15/75/18/545157518.db2.gz UKCGFZRTQUGDMZ-ZIAGYGMSSA-N 2 1 254.374 0.600 10 0 CCAEMP [NH3+]C[C@@]1([C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000669377314 545206209 /nfs/dbraw/zinc/20/62/09/545206209.db2.gz MGLYWXSENOHVKE-HOTGVXAUSA-N 2 1 276.380 0.989 10 0 CCAEMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000310877924 623588646 /nfs/dbraw/zinc/58/86/46/623588646.db2.gz NCFWJPFDKPMEID-MELADBBJSA-N 2 1 256.390 0.990 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]12 ZINC000307953687 624823303 /nfs/dbraw/zinc/82/33/03/624823303.db2.gz YBZFXXSRNYAAME-ZYUZMQFOSA-N 2 1 252.280 0.969 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000178848311 631577620 /nfs/dbraw/zinc/57/76/20/631577620.db2.gz UXLBYFAAMCDAIC-OCCSQVGLSA-N 2 1 280.347 0.884 10 0 CCAEMP [NH3+][C@H](CC1CC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000306112480 631857796 /nfs/dbraw/zinc/85/77/96/631857796.db2.gz WVCXNSWJRYDQKJ-CHWSQXEVSA-N 2 1 251.374 0.811 10 0 CCAEMP [NH3+][C@H](CC1CC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000306112480 631857798 /nfs/dbraw/zinc/85/77/98/631857798.db2.gz WVCXNSWJRYDQKJ-CHWSQXEVSA-N 2 1 251.374 0.811 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252545661 649828514 /nfs/dbraw/zinc/82/85/14/649828514.db2.gz JPEIBLIDBMJXNY-MELADBBJSA-N 2 1 281.400 0.356 10 0 CCAEMP [NH3+]C[C@H]([NH3+])CCCNC(=O)OCc1ccccc1 ZINC000096102693 185097801 /nfs/dbraw/zinc/09/78/01/185097801.db2.gz PDAKZXYYLRSAQA-GFCCVEGCSA-N 2 1 251.330 0.979 10 0 CCAEMP COC[C@H]([NH3+])C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000262383005 137041010 /nfs/dbraw/zinc/04/10/10/137041010.db2.gz YBOZIDWKZXPMRH-ZDUSSCGKSA-N 2 1 292.383 0.449 10 0 CCAEMP CCn1nc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1C ZINC000263281123 137062462 /nfs/dbraw/zinc/06/24/62/137062462.db2.gz UGUGZMGMPNPIMD-WCQYABFASA-N 2 1 252.362 0.190 10 0 CCAEMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1C[NH2+]C1 ZINC000263335103 137064367 /nfs/dbraw/zinc/06/43/67/137064367.db2.gz WBMOKKDYILRGNE-OAHLLOKOSA-N 2 1 287.407 0.887 10 0 CCAEMP C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCCCCC2)C[C@H]1CO ZINC000065497738 348719803 /nfs/dbraw/zinc/71/98/03/348719803.db2.gz HSGVPPFGNHCPCF-KGLIPLIRSA-N 2 1 283.416 0.434 10 0 CCAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000121346300 350034666 /nfs/dbraw/zinc/03/46/66/350034666.db2.gz YFXKWQPRURJXKP-HUUCEWRRSA-N 2 1 297.443 0.632 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000121346300 350034669 /nfs/dbraw/zinc/03/46/69/350034669.db2.gz YFXKWQPRURJXKP-HUUCEWRRSA-N 2 1 297.443 0.632 10 0 CCAEMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000105144496 186043508 /nfs/dbraw/zinc/04/35/08/186043508.db2.gz KNDTYNCQMWOFPC-ZDUSSCGKSA-N 2 1 292.427 0.960 10 0 CCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000105144496 186043510 /nfs/dbraw/zinc/04/35/10/186043510.db2.gz KNDTYNCQMWOFPC-ZDUSSCGKSA-N 2 1 292.427 0.960 10 0 CCAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C1CC1 ZINC000171907342 350942105 /nfs/dbraw/zinc/94/21/05/350942105.db2.gz IRVKPXIJELSGGI-TZMCWYRMSA-N 2 1 280.416 0.959 10 0 CCAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+](C)C1CC1 ZINC000171907342 350942106 /nfs/dbraw/zinc/94/21/06/350942106.db2.gz IRVKPXIJELSGGI-TZMCWYRMSA-N 2 1 280.416 0.959 10 0 CCAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000171907342 350942107 /nfs/dbraw/zinc/94/21/07/350942107.db2.gz IRVKPXIJELSGGI-TZMCWYRMSA-N 2 1 280.416 0.959 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747839 351244623 /nfs/dbraw/zinc/24/46/23/351244623.db2.gz CIQPJKUDVRXGLZ-GFCCVEGCSA-N 2 1 251.374 0.825 10 0 CCAEMP C[C@H](C(=O)NC[C@H]1CN(C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203152 352316538 /nfs/dbraw/zinc/31/65/38/352316538.db2.gz ZWIUEGHAVAOUJN-RQJABVFESA-N 2 1 283.416 0.695 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CCO1 ZINC000246294760 352360068 /nfs/dbraw/zinc/36/00/68/352360068.db2.gz NOARNQOZQOVVRA-HZSPNIEDSA-N 2 1 295.427 0.826 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246458291 352368097 /nfs/dbraw/zinc/36/80/97/352368097.db2.gz PNIWXZARKADXAD-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246458291 352368101 /nfs/dbraw/zinc/36/81/01/352368101.db2.gz PNIWXZARKADXAD-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246458291 352368104 /nfs/dbraw/zinc/36/81/04/352368104.db2.gz PNIWXZARKADXAD-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247646483 352422722 /nfs/dbraw/zinc/42/27/22/352422722.db2.gz VGCYYYHZJFKUSU-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247646483 352422724 /nfs/dbraw/zinc/42/27/24/352422724.db2.gz VGCYYYHZJFKUSU-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247646483 352422727 /nfs/dbraw/zinc/42/27/27/352422727.db2.gz VGCYYYHZJFKUSU-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000333676006 354774535 /nfs/dbraw/zinc/77/45/35/354774535.db2.gz NYDJXOJTMYOLHO-ZIAGYGMSSA-N 2 1 298.431 0.491 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000333676006 354774537 /nfs/dbraw/zinc/77/45/37/354774537.db2.gz NYDJXOJTMYOLHO-ZIAGYGMSSA-N 2 1 298.431 0.491 10 0 CCAEMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000336391070 355114416 /nfs/dbraw/zinc/11/44/16/355114416.db2.gz RPDWCGNSYPKLPG-OCCSQVGLSA-N 2 1 278.400 0.713 10 0 CCAEMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336391070 355114418 /nfs/dbraw/zinc/11/44/18/355114418.db2.gz RPDWCGNSYPKLPG-OCCSQVGLSA-N 2 1 278.400 0.713 10 0 CCAEMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336391070 355114420 /nfs/dbraw/zinc/11/44/20/355114420.db2.gz RPDWCGNSYPKLPG-OCCSQVGLSA-N 2 1 278.400 0.713 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)C[NH+](C)CCOC ZINC000380790168 357706465 /nfs/dbraw/zinc/70/64/65/357706465.db2.gz IBOCGHJXEMANHJ-GJZGRUSLSA-N 2 1 287.448 0.342 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C[C@@H](O)C[N@H+](C)CCOC ZINC000380790168 357706469 /nfs/dbraw/zinc/70/64/69/357706469.db2.gz IBOCGHJXEMANHJ-GJZGRUSLSA-N 2 1 287.448 0.342 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000380790168 357706474 /nfs/dbraw/zinc/70/64/74/357706474.db2.gz IBOCGHJXEMANHJ-GJZGRUSLSA-N 2 1 287.448 0.342 10 0 CCAEMP C[C@H]1C[N@@H+](CCn2nc3ccccn3c2=O)C[C@@H]1C[NH3+] ZINC000631841655 370708823 /nfs/dbraw/zinc/70/88/23/370708823.db2.gz NMUJTXJRWBENQE-RYUDHWBXSA-N 2 1 275.356 0.023 10 0 CCAEMP O=C([C@H]1CCC[NH2+]C1)N1CCC[N@H+](C2CC2)CC1 ZINC000178746934 296110461 /nfs/dbraw/zinc/11/04/61/296110461.db2.gz MSMMNVYPAGEAFL-LBPRGKRZSA-N 2 1 251.374 0.683 10 0 CCAEMP [NH3+][C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000226389252 189774150 /nfs/dbraw/zinc/77/41/50/189774150.db2.gz GLWWOIOVDYGLMM-QWRGUYRKSA-N 2 1 257.403 0.279 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638109293 374675970 /nfs/dbraw/zinc/67/59/70/374675970.db2.gz TUDLYLFIIQNSTK-UMVBOHGHSA-N 2 1 283.416 0.696 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638114974 374680353 /nfs/dbraw/zinc/68/03/53/374680353.db2.gz DNTSAMDYTDRXFW-AAEUAGOBSA-N 2 1 251.374 0.681 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1C ZINC000261731128 285040890 /nfs/dbraw/zinc/04/08/90/285040890.db2.gz KWXALUDLJDVHFI-HZSPNIEDSA-N 2 1 283.416 0.683 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1C ZINC000261731128 285040892 /nfs/dbraw/zinc/04/08/92/285040892.db2.gz KWXALUDLJDVHFI-HZSPNIEDSA-N 2 1 283.416 0.683 10 0 CCAEMP CCC[C@H](C(=O)NCC[N@@H+](CC)CCO)[NH+](C)C ZINC000183976108 388767051 /nfs/dbraw/zinc/76/70/51/388767051.db2.gz BHQVPTFWEDIGMD-GFCCVEGCSA-N 2 1 259.394 0.147 10 0 CCAEMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](C)CC1 ZINC000246023032 389222805 /nfs/dbraw/zinc/22/28/05/389222805.db2.gz LOWIVGIDFPKIHY-GJZGRUSLSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](C)CC1 ZINC000246023032 389222806 /nfs/dbraw/zinc/22/28/06/389222806.db2.gz LOWIVGIDFPKIHY-GJZGRUSLSA-N 2 1 294.443 0.319 10 0 CCAEMP O=C(C1C[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000262167262 389282205 /nfs/dbraw/zinc/28/22/05/389282205.db2.gz BWISTQAGUKPFBX-RISCZKNCSA-N 2 1 263.385 0.681 10 0 CCAEMP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000170830562 389464051 /nfs/dbraw/zinc/46/40/51/389464051.db2.gz LZGKUHRZGXBAFF-GXTWGEPZSA-N 2 1 280.416 0.816 10 0 CCAEMP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[N@H+](C3CC3)CC2)C1 ZINC000178747218 389619678 /nfs/dbraw/zinc/61/96/78/389619678.db2.gz RGUDFTLXOPHCRQ-RYUDHWBXSA-N 2 1 251.374 0.811 10 0 CCAEMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178303862 389601813 /nfs/dbraw/zinc/60/18/13/389601813.db2.gz GKEBBOMXHZUSJO-VXGBXAGGSA-N 2 1 250.346 0.920 10 0 CCAEMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178303862 389601816 /nfs/dbraw/zinc/60/18/16/389601816.db2.gz GKEBBOMXHZUSJO-VXGBXAGGSA-N 2 1 250.346 0.920 10 0 CCAEMP CO[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000378849159 389760682 /nfs/dbraw/zinc/76/06/82/389760682.db2.gz UVZPFEZVRIJNKS-UONOGXRCSA-N 2 1 256.390 0.848 10 0 CCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000408094433 389826798 /nfs/dbraw/zinc/82/67/98/389826798.db2.gz HEVXKQWOIOHXGP-AGIUHOORSA-N 2 1 289.445 0.198 10 0 CCAEMP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649298101 390558599 /nfs/dbraw/zinc/55/85/99/390558599.db2.gz QNSLYKSRAGPNCR-WFASDCNBSA-N 2 1 281.400 0.356 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]12 ZINC000567270823 390685768 /nfs/dbraw/zinc/68/57/68/390685768.db2.gz PZRFSMPSUOAFOO-AAVRWANBSA-N 2 1 254.374 0.851 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000070575921 411691270 /nfs/dbraw/zinc/69/12/70/411691270.db2.gz HNIOUVIDPHOATQ-ZNMIVQPWSA-N 2 1 295.427 0.827 10 0 CCAEMP C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000300408876 411743252 /nfs/dbraw/zinc/74/32/52/411743252.db2.gz DEKSNLSHDPMSTP-NTZNESFSSA-N 2 1 253.390 0.960 10 0 CCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CN[C@@H]2CC[NH2+]C2)C1 ZINC000665282779 415587152 /nfs/dbraw/zinc/58/71/52/415587152.db2.gz BNHPVEZWMLMIFL-SJORKVTESA-N 2 1 288.439 0.754 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000071189607 176065265 /nfs/dbraw/zinc/06/52/65/176065265.db2.gz JSGJNLDXQHDESY-OCCSQVGLSA-N 2 1 253.390 0.786 10 0 CCAEMP CCOC(=O)[C@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000071190965 176067822 /nfs/dbraw/zinc/06/78/22/176067822.db2.gz VKSDMAIJIHJBBQ-OLZOCXBDSA-N 2 1 271.405 0.411 10 0 CCAEMP CCOC(=O)[C@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000071190965 176067823 /nfs/dbraw/zinc/06/78/23/176067823.db2.gz VKSDMAIJIHJBBQ-OLZOCXBDSA-N 2 1 271.405 0.411 10 0 CCAEMP CCOC(=O)[C@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)NC ZINC000071190965 176067824 /nfs/dbraw/zinc/06/78/24/176067824.db2.gz VKSDMAIJIHJBBQ-OLZOCXBDSA-N 2 1 271.405 0.411 10 0 CCAEMP CCOC(=O)[C@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)NC ZINC000071190965 176067826 /nfs/dbraw/zinc/06/78/26/176067826.db2.gz VKSDMAIJIHJBBQ-OLZOCXBDSA-N 2 1 271.405 0.411 10 0 CCAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000136375736 544638704 /nfs/dbraw/zinc/63/87/04/544638704.db2.gz OBACBFAMZHAIKC-KGLIPLIRSA-N 2 1 283.416 0.683 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000250179105 544921601 /nfs/dbraw/zinc/92/16/01/544921601.db2.gz TVYOMKVAMMRXTI-KBPBESRZSA-N 2 1 283.416 0.542 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000250659489 544924224 /nfs/dbraw/zinc/92/42/24/544924224.db2.gz PFQMAKIEJGTLKO-MBNYWOFBSA-N 2 1 265.401 0.962 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000262098289 544939405 /nfs/dbraw/zinc/93/94/05/544939405.db2.gz IJGDZRNXYICHNA-GDBMZVCRSA-N 2 1 291.395 0.193 10 0 CCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000343710995 288090998 /nfs/dbraw/zinc/09/09/98/288090998.db2.gz KKFTYOZCCJCTTG-MCIONIFRSA-N 2 1 255.406 0.373 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000333777737 290098543 /nfs/dbraw/zinc/09/85/43/290098543.db2.gz DFAMYEZFXIRXFY-HZSPNIEDSA-N 2 1 298.431 0.225 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000394041186 329095794 /nfs/dbraw/zinc/09/57/94/329095794.db2.gz FCJIGLUKOCYLKV-MJBXVCDLSA-N 2 1 255.406 0.468 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000394041186 329095795 /nfs/dbraw/zinc/09/57/95/329095795.db2.gz FCJIGLUKOCYLKV-MJBXVCDLSA-N 2 1 255.406 0.468 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000394041186 329095796 /nfs/dbraw/zinc/09/57/96/329095796.db2.gz FCJIGLUKOCYLKV-MJBXVCDLSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)C[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000164388928 519349400 /nfs/dbraw/zinc/34/94/00/519349400.db2.gz XQUWRZQASKFPIQ-UKRRQHHQSA-N 2 1 297.443 0.705 10 0 CCAEMP CC(C)[N@H+](CCC[NH3+])CC(=O)NCC(F)(F)F ZINC000049309664 519643105 /nfs/dbraw/zinc/64/31/05/519643105.db2.gz YUEUQPVUQBCCDP-UHFFFAOYSA-N 2 1 255.284 0.724 10 0 CCAEMP CC(C)[N@@H+](CCC[NH3+])CC(=O)NCC(F)(F)F ZINC000049309664 519643106 /nfs/dbraw/zinc/64/31/06/519643106.db2.gz YUEUQPVUQBCCDP-UHFFFAOYSA-N 2 1 255.284 0.724 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051091224 521710722 /nfs/dbraw/zinc/71/07/22/521710722.db2.gz CNYZISLRXBHDHX-JTQLQIEISA-N 2 1 263.345 0.439 10 0 CCAEMP CC[C@H](C)[NH+]1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000055083914 523957372 /nfs/dbraw/zinc/95/73/72/523957372.db2.gz OEZBZUSVPDNQNR-STQMWFEESA-N 2 1 289.445 0.484 10 0 CCAEMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000049557534 524168540 /nfs/dbraw/zinc/16/85/40/524168540.db2.gz QWAFFTSKRRSLBR-VXGBXAGGSA-N 2 1 257.378 0.164 10 0 CCAEMP C[C@H]1[C@H](C(=O)N2CCC[N@@H+](C)CC2)CCC[C@@H]1[NH3+] ZINC000055124322 525097482 /nfs/dbraw/zinc/09/74/82/525097482.db2.gz KIXWBZXPVKLDFZ-XQQFMLRXSA-N 2 1 253.390 0.914 10 0 CCAEMP O[C@H](C[NH2+][C@H]1CO[C@@H](C2CC2)C1)C[NH+]1CCCCC1 ZINC000667797913 545156388 /nfs/dbraw/zinc/15/63/88/545156388.db2.gz AQWSXCAOFIXBPZ-RBSFLKMASA-N 2 1 268.401 0.990 10 0 CCAEMP CC(C)[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)[NH+](C)C ZINC000263241452 535170537 /nfs/dbraw/zinc/17/05/37/535170537.db2.gz ORDXYQPNWXNEBH-GHMZBOCLSA-N 2 1 267.377 0.904 10 0 CCAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757148299 581680746 /nfs/dbraw/zinc/68/07/46/581680746.db2.gz MZIGDTMVOHCUGD-UHFFFAOYSA-N 3 1 253.390 0.975 10 0 CCAEMP O[C@H](CN1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000311254038 637295396 /nfs/dbraw/zinc/29/53/96/637295396.db2.gz QEEVCZXMWCGOST-CABCVRRESA-N 2 1 267.417 0.613 10 0 CCAEMP C(c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000252550027 649828208 /nfs/dbraw/zinc/82/82/08/649828208.db2.gz OHEQZEMPDPTDSZ-SDDRHHMPSA-N 2 1 278.356 0.900 10 0 CCAEMP C(c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000252550027 649828209 /nfs/dbraw/zinc/82/82/09/649828209.db2.gz OHEQZEMPDPTDSZ-SDDRHHMPSA-N 2 1 278.356 0.900 10 0 CCAEMP CC(C)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000091545117 349466369 /nfs/dbraw/zinc/46/63/69/349466369.db2.gz ISFOKWHWBCYASY-KKUMJFAQSA-N 2 1 296.459 0.502 10 0 CCAEMP C[NH+](C)C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000245704269 282140501 /nfs/dbraw/zinc/14/05/01/282140501.db2.gz YBXSXQNMWFETMC-KGLIPLIRSA-N 2 1 255.406 0.733 10 0 CCAEMP C[C@@H](C[NH3+])C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000262479126 137044655 /nfs/dbraw/zinc/04/46/55/137044655.db2.gz ZESZZAJEUFAQGZ-RYUDHWBXSA-N 2 1 269.389 0.293 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000263292611 137063101 /nfs/dbraw/zinc/06/31/01/137063101.db2.gz VVNJHIUBSBOXMM-XHDPSFHLSA-N 2 1 290.342 0.681 10 0 CCAEMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000310919056 137072884 /nfs/dbraw/zinc/07/28/84/137072884.db2.gz GVBIRJKJMAEACL-OCCSQVGLSA-N 2 1 255.406 0.325 10 0 CCAEMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@H+](C)C1 ZINC000310919056 137072885 /nfs/dbraw/zinc/07/28/85/137072885.db2.gz GVBIRJKJMAEACL-OCCSQVGLSA-N 2 1 255.406 0.325 10 0 CCAEMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000310919056 137072886 /nfs/dbraw/zinc/07/28/86/137072886.db2.gz GVBIRJKJMAEACL-OCCSQVGLSA-N 2 1 255.406 0.325 10 0 CCAEMP C[NH+]1CCN(C(=O)OCC[NH+]2CCCCC2)CC1 ZINC000003599767 347985572 /nfs/dbraw/zinc/98/55/72/347985572.db2.gz JDXWGESEHJOFKT-UHFFFAOYSA-N 2 1 255.362 0.856 10 0 CCAEMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357669 349360929 /nfs/dbraw/zinc/36/09/29/349360929.db2.gz WJPNOFCMFREXNI-OLZOCXBDSA-N 2 1 271.405 0.602 10 0 CCAEMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371158 349362619 /nfs/dbraw/zinc/36/26/19/349362619.db2.gz XWQJIUNELQTPJE-OAHLLOKOSA-N 2 1 297.443 0.945 10 0 CCAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371158 349362622 /nfs/dbraw/zinc/36/26/22/349362622.db2.gz XWQJIUNELQTPJE-OAHLLOKOSA-N 2 1 297.443 0.945 10 0 CCAEMP O=C1CNC(=O)N1CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131662242 350282244 /nfs/dbraw/zinc/28/22/44/350282244.db2.gz KTPRHKKKOSNZEN-LBPRGKRZSA-N 2 1 290.323 0.087 10 0 CCAEMP O=C1CNC(=O)N1CCN1CC[C@H](Oc2ccncc2)C1 ZINC000131662242 350282247 /nfs/dbraw/zinc/28/22/47/350282247.db2.gz KTPRHKKKOSNZEN-LBPRGKRZSA-N 2 1 290.323 0.087 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH+](CC)C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000153081924 350551969 /nfs/dbraw/zinc/55/19/69/350551969.db2.gz PAGIHLHUWHFRPW-KGLIPLIRSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[C@H]1CN(C(=O)C[N@H+](CC)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000153081924 350551972 /nfs/dbraw/zinc/55/19/72/350551972.db2.gz PAGIHLHUWHFRPW-KGLIPLIRSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[C@H]1CN(C(=O)C[N@@H+](CC)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000153081924 350551975 /nfs/dbraw/zinc/55/19/75/350551975.db2.gz PAGIHLHUWHFRPW-KGLIPLIRSA-N 2 1 297.443 0.774 10 0 CCAEMP CN1CCN(c2cc[nH+]cc2Br)[C@H](C[NH3+])C1 ZINC000159918525 350692295 /nfs/dbraw/zinc/69/22/95/350692295.db2.gz YKFSGKDRUURHBW-SECBINFHSA-N 2 1 285.189 0.923 10 0 CCAEMP CCC[C@@H](C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000162127273 350736377 /nfs/dbraw/zinc/73/63/77/350736377.db2.gz NGBOPJWMLRRZNI-CABCVRRESA-N 2 1 298.475 0.716 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000168026154 350818354 /nfs/dbraw/zinc/81/83/54/350818354.db2.gz KUPKFDIFENGMDP-ZDUSSCGKSA-N 2 1 283.416 0.555 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000168026154 350818357 /nfs/dbraw/zinc/81/83/57/350818357.db2.gz KUPKFDIFENGMDP-ZDUSSCGKSA-N 2 1 283.416 0.555 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171639585 350924047 /nfs/dbraw/zinc/92/40/47/350924047.db2.gz RSLHVEUQTRUGNQ-LSDHHAIUSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171639585 350924053 /nfs/dbraw/zinc/92/40/53/350924053.db2.gz RSLHVEUQTRUGNQ-LSDHHAIUSA-N 2 1 294.443 0.319 10 0 CCAEMP C[NH2+]CCCC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000178726997 351242518 /nfs/dbraw/zinc/24/25/18/351242518.db2.gz JMPVMXDPWBFBKM-CYBMUJFWSA-N 2 1 283.416 0.698 10 0 CCAEMP C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203153 352316592 /nfs/dbraw/zinc/31/65/92/352316592.db2.gz ZWIUEGHAVAOUJN-XJFOESAGSA-N 2 1 283.416 0.695 10 0 CCAEMP CC(C)[N@H+](C)CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246597178 352375631 /nfs/dbraw/zinc/37/56/31/352375631.db2.gz BDZAQLCLAJCRJV-OLZOCXBDSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246597178 352375640 /nfs/dbraw/zinc/37/56/40/352375640.db2.gz BDZAQLCLAJCRJV-OLZOCXBDSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000246597178 352375644 /nfs/dbraw/zinc/37/56/44/352375644.db2.gz BDZAQLCLAJCRJV-OLZOCXBDSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000246597178 352375646 /nfs/dbraw/zinc/37/56/46/352375646.db2.gz BDZAQLCLAJCRJV-OLZOCXBDSA-N 2 1 271.405 0.240 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000248853979 352463350 /nfs/dbraw/zinc/46/33/50/352463350.db2.gz KFXKVDHQPNEIAI-MELADBBJSA-N 2 1 283.416 0.696 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250229461 352503570 /nfs/dbraw/zinc/50/35/70/352503570.db2.gz FYASOLXPIYQHIS-OLZOCXBDSA-N 2 1 253.390 0.834 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252601345 352519998 /nfs/dbraw/zinc/51/99/98/352519998.db2.gz MHXNRLRSBODUSD-XQQFMLRXSA-N 2 1 253.390 0.927 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000178295684 189104064 /nfs/dbraw/zinc/10/40/64/189104064.db2.gz UKFNILIFKZSFRR-AWEZNQCLSA-N 2 1 292.383 0.515 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000178295684 189104065 /nfs/dbraw/zinc/10/40/65/189104065.db2.gz UKFNILIFKZSFRR-AWEZNQCLSA-N 2 1 292.383 0.515 10 0 CCAEMP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178320502 189107048 /nfs/dbraw/zinc/10/70/48/189107048.db2.gz ORVNOBJNWXAAEX-LLVKDONJSA-N 2 1 279.344 0.112 10 0 CCAEMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178320502 189107049 /nfs/dbraw/zinc/10/70/49/189107049.db2.gz ORVNOBJNWXAAEX-LLVKDONJSA-N 2 1 279.344 0.112 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000631838278 370704731 /nfs/dbraw/zinc/70/47/31/370704731.db2.gz LKWYZIFYKYYNIZ-FRRDWIJNSA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000631838278 370704733 /nfs/dbraw/zinc/70/47/33/370704733.db2.gz LKWYZIFYKYYNIZ-FRRDWIJNSA-N 2 1 253.390 0.772 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771619 372222231 /nfs/dbraw/zinc/22/22/31/372222231.db2.gz BHOQUHWRVQSPDM-YDHLFZDLSA-N 2 1 265.401 0.977 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCC[NH2+]1 ZINC000638109203 374676314 /nfs/dbraw/zinc/67/63/14/374676314.db2.gz SKSXZGRMBAYPSD-UKRRQHHQSA-N 2 1 281.400 0.452 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188774762 388940935 /nfs/dbraw/zinc/94/09/35/388940935.db2.gz HVQJOFQRNMJRGH-GHMZBOCLSA-N 2 1 289.383 0.364 10 0 CCAEMP CC[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@@H+]1C[C@@H](C)O ZINC000302022690 389062565 /nfs/dbraw/zinc/06/25/65/389062565.db2.gz IXBANLCEIVBZOT-NEPJUHHUSA-N 2 1 292.383 0.462 10 0 CCAEMP CC[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@H+]1C[C@@H](C)O ZINC000302022690 389062567 /nfs/dbraw/zinc/06/25/67/389062567.db2.gz IXBANLCEIVBZOT-NEPJUHHUSA-N 2 1 292.383 0.462 10 0 CCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000237602073 389191772 /nfs/dbraw/zinc/19/17/72/389191772.db2.gz CHBFCRCDWRBWBG-JSGCOSHPSA-N 2 1 281.400 0.450 10 0 CCAEMP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000245617381 389214151 /nfs/dbraw/zinc/21/41/51/389214151.db2.gz MXJWJZLZIDAFTF-GJZGRUSLSA-N 2 1 285.432 0.094 10 0 CCAEMP O[C@@]1(CNC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422972816 389513349 /nfs/dbraw/zinc/51/33/49/389513349.db2.gz AKTAMLSTNVPJKO-QGZVFWFLSA-N 2 1 289.423 0.965 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000335284571 389545913 /nfs/dbraw/zinc/54/59/13/389545913.db2.gz FBUOHTHQUKYIQC-ZYHUDNBSSA-N 2 1 252.362 0.084 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1C ZINC000178775633 389621734 /nfs/dbraw/zinc/62/17/34/389621734.db2.gz JVWGFTHHDQHOPN-LLVKDONJSA-N 2 1 257.378 0.293 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1C ZINC000178775633 389621737 /nfs/dbraw/zinc/62/17/37/389621737.db2.gz JVWGFTHHDQHOPN-LLVKDONJSA-N 2 1 257.378 0.293 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C ZINC000178775650 389621974 /nfs/dbraw/zinc/62/19/74/389621974.db2.gz JVWGFTHHDQHOPN-NSHDSACASA-N 2 1 257.378 0.293 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C ZINC000178775650 389621978 /nfs/dbraw/zinc/62/19/78/389621978.db2.gz JVWGFTHHDQHOPN-NSHDSACASA-N 2 1 257.378 0.293 10 0 CCAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000408094434 389826445 /nfs/dbraw/zinc/82/64/45/389826445.db2.gz HEVXKQWOIOHXGP-FRRDWIJNSA-N 2 1 289.445 0.198 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000647971241 390234656 /nfs/dbraw/zinc/23/46/56/390234656.db2.gz ZQONXQGEKJVOPZ-UONOGXRCSA-N 2 1 257.422 0.571 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649328386 390585890 /nfs/dbraw/zinc/58/58/90/390585890.db2.gz UYPIRBNIXNSZGH-ZFWWWQNUSA-N 2 1 283.416 0.698 10 0 CCAEMP COC[C@@]1(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000649319602 390576681 /nfs/dbraw/zinc/57/66/81/390576681.db2.gz IJUONTUGMNDRNN-SMDDNHRTSA-N 2 1 269.389 0.354 10 0 CCAEMP Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[nH+]c1 ZINC000262516247 131228356 /nfs/dbraw/zinc/22/83/56/131228356.db2.gz MZFHSPMUFMVMOB-NEPJUHHUSA-N 2 1 278.356 0.031 10 0 CCAEMP CCO[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC000650303803 397711036 /nfs/dbraw/zinc/71/10/36/397711036.db2.gz QJWYBTBTUJQURQ-MWLCHTKSSA-N 2 1 261.329 0.758 10 0 CCAEMP CNC(=O)NC(=O)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000020303264 171140416 /nfs/dbraw/zinc/14/04/16/171140416.db2.gz KEWUPEBXYVYZJS-VIFPVBQESA-N 2 1 258.366 0.008 10 0 CCAEMP C[C@@H](C(=O)Nc1ccccc1C[NH3+])N1CC[NH+](C)CC1 ZINC000022156279 171362596 /nfs/dbraw/zinc/36/25/96/171362596.db2.gz BNKAWUBDZCPNBV-LBPRGKRZSA-N 2 1 276.384 0.720 10 0 CCAEMP Cc1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038031383 174026583 /nfs/dbraw/zinc/02/65/83/174026583.db2.gz IVGQAVJWWCVVDR-UHFFFAOYSA-N 2 1 291.395 0.737 10 0 CCAEMP Cc1ccc(OCC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038031383 174026585 /nfs/dbraw/zinc/02/65/85/174026585.db2.gz IVGQAVJWWCVVDR-UHFFFAOYSA-N 2 1 291.395 0.737 10 0 CCAEMP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042928 174047476 /nfs/dbraw/zinc/04/74/76/174047476.db2.gz ACNHUEKTWKYQGY-AWEZNQCLSA-N 3 1 282.432 0.271 10 0 CCAEMP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042928 174047477 /nfs/dbraw/zinc/04/74/77/174047477.db2.gz ACNHUEKTWKYQGY-AWEZNQCLSA-N 3 1 282.432 0.271 10 0 CCAEMP COCCOCCOCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000662267697 414703039 /nfs/dbraw/zinc/70/30/39/414703039.db2.gz XSTBUJWWEPKQCY-SOUVJXGZSA-N 2 1 286.416 0.725 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000098061759 544556529 /nfs/dbraw/zinc/55/65/29/544556529.db2.gz CWZFKDSDZSZHOC-GFCCVEGCSA-N 2 1 269.389 0.308 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000168054404 544728937 /nfs/dbraw/zinc/72/89/37/544728937.db2.gz LGGWLLCFLRTUIX-MCIONIFRSA-N 2 1 283.416 0.683 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C ZINC000178775679 544748399 /nfs/dbraw/zinc/74/83/99/544748399.db2.gz RJUKXIIVRKAEGW-GFCCVEGCSA-N 2 1 269.389 0.437 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C ZINC000178775679 544748402 /nfs/dbraw/zinc/74/84/02/544748402.db2.gz RJUKXIIVRKAEGW-GFCCVEGCSA-N 2 1 269.389 0.437 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H]1C ZINC000333677257 545041731 /nfs/dbraw/zinc/04/17/31/545041731.db2.gz OFTGXDOVVIMJLQ-HZSPNIEDSA-N 2 1 298.431 0.489 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H]1C ZINC000333677257 545041732 /nfs/dbraw/zinc/04/17/32/545041732.db2.gz OFTGXDOVVIMJLQ-HZSPNIEDSA-N 2 1 298.431 0.489 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(C(C)(C)C)n1 ZINC000263133418 274892126 /nfs/dbraw/zinc/89/21/26/274892126.db2.gz BXABUWFIUDJQCO-JQWIXIFHSA-N 2 1 266.389 0.388 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000333481120 279031778 /nfs/dbraw/zinc/03/17/78/279031778.db2.gz CCFLEOLBASJLEY-GVXVVHGQSA-N 2 1 272.368 0.470 10 0 CCAEMP CC[N@@H+](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000152722463 279051321 /nfs/dbraw/zinc/05/13/21/279051321.db2.gz YNJVTTHULGEWHF-ZDUSSCGKSA-N 2 1 269.389 0.260 10 0 CCAEMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000261541375 279282871 /nfs/dbraw/zinc/28/28/71/279282871.db2.gz FSDBDZURPFJBRS-UKRRQHHQSA-N 2 1 291.395 0.612 10 0 CCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000261541375 279282873 /nfs/dbraw/zinc/28/28/73/279282873.db2.gz FSDBDZURPFJBRS-UKRRQHHQSA-N 2 1 291.395 0.612 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H](O)C[NH+](C)C1CC1 ZINC000311688562 279328048 /nfs/dbraw/zinc/32/80/48/279328048.db2.gz KIWWWDQFVBXETR-GJZGRUSLSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000311688562 279328049 /nfs/dbraw/zinc/32/80/49/279328049.db2.gz KIWWWDQFVBXETR-GJZGRUSLSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311688562 279328051 /nfs/dbraw/zinc/32/80/51/279328051.db2.gz KIWWWDQFVBXETR-GJZGRUSLSA-N 2 1 269.433 0.858 10 0 CCAEMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336509699 280095281 /nfs/dbraw/zinc/09/52/81/280095281.db2.gz KZLOCBDHZYHIIY-AAEUAGOBSA-N 2 1 287.354 0.833 10 0 CCAEMP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000334921715 288317891 /nfs/dbraw/zinc/31/78/91/288317891.db2.gz OMFKNNOVJMKYEC-GHMZBOCLSA-N 2 1 252.362 0.226 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000246946994 290085030 /nfs/dbraw/zinc/08/50/30/290085030.db2.gz JDNHYBDYOJKKDM-JSGCOSHPSA-N 2 1 283.416 0.242 10 0 CCAEMP [NH3+]C1CCC(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000394391675 545088135 /nfs/dbraw/zinc/08/81/35/545088135.db2.gz LAVDHELXGCBIBB-RUXDESIVSA-N 2 1 280.416 0.010 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000113579319 300313513 /nfs/dbraw/zinc/31/35/13/300313513.db2.gz VQWDWUCOLVBDKB-GXTWGEPZSA-N 2 1 280.416 0.959 10 0 CCAEMP CC[NH+](CC)CCCNC(=O)c1cccc(NN)[nH+]1 ZINC000051096476 520620574 /nfs/dbraw/zinc/62/05/74/520620574.db2.gz DVFFTRFSBKXPSY-UHFFFAOYSA-N 2 1 265.361 0.829 10 0 CCAEMP CC[NH+](CC)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567611 520737276 /nfs/dbraw/zinc/73/72/76/520737276.db2.gz DZXUCUJOYHAONX-HZSPNIEDSA-N 2 1 255.406 0.515 10 0 CCAEMP CC[N@H+](CC[C@@H]([NH2+]C(C)C)C(N)=O)[C@@H](C)COC ZINC000062456942 521155371 /nfs/dbraw/zinc/15/53/71/521155371.db2.gz HJFXBRLAOLOHDL-NWDGAFQWSA-N 2 1 259.394 0.585 10 0 CCAEMP CC[N@@H+](CC[C@@H]([NH2+]C(C)C)C(N)=O)[C@@H](C)COC ZINC000062456942 521155374 /nfs/dbraw/zinc/15/53/74/521155374.db2.gz HJFXBRLAOLOHDL-NWDGAFQWSA-N 2 1 259.394 0.585 10 0 CCAEMP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000061653810 521765487 /nfs/dbraw/zinc/76/54/87/521765487.db2.gz ZXGRIUPEWJVBLH-LSDHHAIUSA-N 3 1 268.449 0.683 10 0 CCAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000049330285 527431503 /nfs/dbraw/zinc/43/15/03/527431503.db2.gz WKNIFFQVQOHUJA-LLVKDONJSA-N 2 1 257.359 0.216 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263217836 535725252 /nfs/dbraw/zinc/72/52/52/535725252.db2.gz LEYKDJSWOBQFDP-OLZOCXBDSA-N 2 1 280.368 0.764 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000136483712 614225260 /nfs/dbraw/zinc/22/52/60/614225260.db2.gz CBXNJPMWCZEMMH-FRRDWIJNSA-N 2 1 269.389 0.339 10 0 CCAEMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000310877925 623588415 /nfs/dbraw/zinc/58/84/15/623588415.db2.gz NCFWJPFDKPMEID-MGPQQGTHSA-N 2 1 256.390 0.990 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000094462899 631366577 /nfs/dbraw/zinc/36/65/77/631366577.db2.gz FTYIJNCHQKDSJC-JHJVBQTASA-N 2 1 287.429 0.237 10 0 CCAEMP C(c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[C@@H]1CC[NH2+]C1 ZINC000091686423 649709488 /nfs/dbraw/zinc/70/94/88/649709488.db2.gz CCAGYSYQIGMLQB-TUAOUCFPSA-N 2 1 278.356 0.757 10 0 CCAEMP C(c1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[C@@H]1CC[NH2+]C1 ZINC000091686423 649709491 /nfs/dbraw/zinc/70/94/91/649709491.db2.gz CCAGYSYQIGMLQB-TUAOUCFPSA-N 2 1 278.356 0.757 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668577 349471624 /nfs/dbraw/zinc/47/16/24/349471624.db2.gz PLNVCFGANSMPCK-WOPDTQHZSA-N 2 1 255.362 0.093 10 0 CCAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000336533991 282262996 /nfs/dbraw/zinc/26/29/96/282262996.db2.gz YIBXJLUYTONKGY-VHSXEESVSA-N 2 1 261.316 0.394 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000113612639 349817721 /nfs/dbraw/zinc/81/77/21/349817721.db2.gz MQBCFLWYADXMIU-UONOGXRCSA-N 2 1 298.431 0.443 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113612639 349817725 /nfs/dbraw/zinc/81/77/25/349817725.db2.gz MQBCFLWYADXMIU-UONOGXRCSA-N 2 1 298.431 0.443 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113612639 349817730 /nfs/dbraw/zinc/81/77/30/349817730.db2.gz MQBCFLWYADXMIU-UONOGXRCSA-N 2 1 298.431 0.443 10 0 CCAEMP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000117045940 349880368 /nfs/dbraw/zinc/88/03/68/349880368.db2.gz OGXVSHPBGKNLQB-GXTWGEPZSA-N 2 1 298.431 0.441 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000263122499 137058783 /nfs/dbraw/zinc/05/87/83/137058783.db2.gz BBJTWORZCDWLBF-PWSUYJOCSA-N 2 1 278.381 0.808 10 0 CCAEMP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261697708 137016007 /nfs/dbraw/zinc/01/60/07/137016007.db2.gz IELOPRDXRYQDII-CHWSQXEVSA-N 2 1 269.389 0.152 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccncc2)n1 ZINC000262188781 137030348 /nfs/dbraw/zinc/03/03/48/137030348.db2.gz YAGSPIPMHVMLPT-OCCSQVGLSA-N 2 1 287.367 0.152 10 0 CCAEMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263256258 137061632 /nfs/dbraw/zinc/06/16/32/137061632.db2.gz QMPNBRCMKCTKOP-HZMBPMFUSA-N 2 1 266.389 0.215 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263217837 137060449 /nfs/dbraw/zinc/06/04/49/137060449.db2.gz LEYKDJSWOBQFDP-QWHCGFSZSA-N 2 1 280.368 0.764 10 0 CCAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1O ZINC000263242337 137061324 /nfs/dbraw/zinc/06/13/24/137061324.db2.gz OTNQWWDWSZBTHA-JQWIXIFHSA-N 2 1 252.314 0.071 10 0 CCAEMP CO[C@H]1C[C@H](CO)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000344697793 137208684 /nfs/dbraw/zinc/20/86/84/137208684.db2.gz CEECPOJBDRZKLW-OLZOCXBDSA-N 2 1 253.346 0.663 10 0 CCAEMP CO[C@H]1C[C@H](CO)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000344697793 137208685 /nfs/dbraw/zinc/20/86/85/137208685.db2.gz CEECPOJBDRZKLW-OLZOCXBDSA-N 2 1 253.346 0.663 10 0 CCAEMP C[C@]1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517451 349181712 /nfs/dbraw/zinc/18/17/12/349181712.db2.gz NVIKWDHYIAYFOP-TZMCWYRMSA-N 2 1 251.374 0.825 10 0 CCAEMP C[C@]1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517451 349181715 /nfs/dbraw/zinc/18/17/15/349181715.db2.gz NVIKWDHYIAYFOP-TZMCWYRMSA-N 2 1 251.374 0.825 10 0 CCAEMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371149 349363125 /nfs/dbraw/zinc/36/31/25/349363125.db2.gz XWQJIUNELQTPJE-HNNXBMFYSA-N 2 1 297.443 0.945 10 0 CCAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371149 349363129 /nfs/dbraw/zinc/36/31/29/349363129.db2.gz XWQJIUNELQTPJE-HNNXBMFYSA-N 2 1 297.443 0.945 10 0 CCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129688671 350220480 /nfs/dbraw/zinc/22/04/80/350220480.db2.gz UBLJCOCOLYKLPI-CQSZACIVSA-N 2 1 296.459 0.517 10 0 CCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1([NH3+])CCOCC1 ZINC000132280570 350302847 /nfs/dbraw/zinc/30/28/47/350302847.db2.gz ZNLMAECVIXDORZ-CHWSQXEVSA-N 2 1 281.400 0.580 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1([NH3+])CCOCC1 ZINC000132280570 350302850 /nfs/dbraw/zinc/30/28/50/350302850.db2.gz ZNLMAECVIXDORZ-CHWSQXEVSA-N 2 1 281.400 0.580 10 0 CCAEMP C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000132964790 350321476 /nfs/dbraw/zinc/32/14/76/350321476.db2.gz HQDCUBYOODGAMA-STQMWFEESA-N 2 1 282.432 0.269 10 0 CCAEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000174345558 351080734 /nfs/dbraw/zinc/08/07/34/351080734.db2.gz KXYTUFVMWNYEER-RBSFLKMASA-N 2 1 297.443 0.774 10 0 CCAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000174345558 351080737 /nfs/dbraw/zinc/08/07/37/351080737.db2.gz KXYTUFVMWNYEER-RBSFLKMASA-N 2 1 297.443 0.774 10 0 CCAEMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174345558 351080738 /nfs/dbraw/zinc/08/07/38/351080738.db2.gz KXYTUFVMWNYEER-RBSFLKMASA-N 2 1 297.443 0.774 10 0 CCAEMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174345558 351080740 /nfs/dbraw/zinc/08/07/40/351080740.db2.gz KXYTUFVMWNYEER-RBSFLKMASA-N 2 1 297.443 0.774 10 0 CCAEMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000178834420 351248722 /nfs/dbraw/zinc/24/87/22/351248722.db2.gz CRRCSGYOGNPDQZ-OLZOCXBDSA-N 2 1 269.389 0.165 10 0 CCAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000178834420 351248724 /nfs/dbraw/zinc/24/87/24/351248724.db2.gz CRRCSGYOGNPDQZ-OLZOCXBDSA-N 2 1 269.389 0.165 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000181375276 351314383 /nfs/dbraw/zinc/31/43/83/351314383.db2.gz KCTGHEQAHJKBDW-XBFCOCLRSA-N 2 1 291.399 0.411 10 0 CCAEMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000123238749 187079551 /nfs/dbraw/zinc/07/95/51/187079551.db2.gz QPTKIVSPBWRTBA-MCIONIFRSA-N 2 1 255.406 0.779 10 0 CCAEMP CC[N@@H+](CCNC(=O)C(C)(C)N1CC[NH2+]CC1)C1CC1 ZINC000226398006 352025800 /nfs/dbraw/zinc/02/58/00/352025800.db2.gz ANHPCJMNMIRYBP-UHFFFAOYSA-N 2 1 282.432 0.271 10 0 CCAEMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000236772592 352212785 /nfs/dbraw/zinc/21/27/85/352212785.db2.gz SIBHJJRJVAZTEJ-CYBMUJFWSA-N 2 1 269.389 0.211 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C1CC1 ZINC000247478027 352416734 /nfs/dbraw/zinc/41/67/34/352416734.db2.gz IRVKPXIJELSGGI-JSGCOSHPSA-N 2 1 280.416 0.959 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000247478027 352416736 /nfs/dbraw/zinc/41/67/36/352416736.db2.gz IRVKPXIJELSGGI-JSGCOSHPSA-N 2 1 280.416 0.959 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000247478027 352416739 /nfs/dbraw/zinc/41/67/39/352416739.db2.gz IRVKPXIJELSGGI-JSGCOSHPSA-N 2 1 280.416 0.959 10 0 CCAEMP CC[N@@H+](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000248629728 352450181 /nfs/dbraw/zinc/45/01/81/352450181.db2.gz OTVXNPAAFISBOX-DRZSPHRISA-N 2 1 251.374 0.666 10 0 CCAEMP C[C@@H]1CN(CCN2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000248650253 352451917 /nfs/dbraw/zinc/45/19/17/352451917.db2.gz LXCSKUNCHUSAKG-KGLIPLIRSA-N 2 1 253.390 0.487 10 0 CCAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824577 354800408 /nfs/dbraw/zinc/80/04/08/354800408.db2.gz RPTYFSZDWUPMKN-RFGFWPKPSA-N 2 1 298.431 0.081 10 0 CCAEMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000333625401 283147650 /nfs/dbraw/zinc/14/76/50/283147650.db2.gz FTLNDEMBGBRDRH-NWDGAFQWSA-N 2 1 266.389 0.603 10 0 CCAEMP O=c1ccc(C[NH2+]C2CC[NH+](CCO)CC2)c[nH]1 ZINC000398949803 357779212 /nfs/dbraw/zinc/77/92/12/357779212.db2.gz BHQUMHNVQOXYLT-UHFFFAOYSA-N 2 1 251.330 0.334 10 0 CCAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CCCCO1 ZINC000399010828 357780772 /nfs/dbraw/zinc/78/07/72/357780772.db2.gz ATNAHDMCOSRFFT-GXTWGEPZSA-N 2 1 256.390 0.990 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCS(N)(=O)=O ZINC000178308052 189104582 /nfs/dbraw/zinc/10/45/82/189104582.db2.gz BVPLUDJFUSBDIM-GFCCVEGCSA-N 2 1 286.401 0.335 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCS(N)(=O)=O ZINC000178308052 189104583 /nfs/dbraw/zinc/10/45/83/189104583.db2.gz BVPLUDJFUSBDIM-GFCCVEGCSA-N 2 1 286.401 0.335 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000178326787 189107803 /nfs/dbraw/zinc/10/78/03/189107803.db2.gz VAEOHPMOBXNYHW-CYBMUJFWSA-N 2 1 262.357 0.935 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000178326787 189107804 /nfs/dbraw/zinc/10/78/04/189107804.db2.gz VAEOHPMOBXNYHW-CYBMUJFWSA-N 2 1 262.357 0.935 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000631842877 370708192 /nfs/dbraw/zinc/70/81/92/370708192.db2.gz HAYIGEHJEVAHKJ-OLZOCXBDSA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000631842877 370708195 /nfs/dbraw/zinc/70/81/95/370708195.db2.gz HAYIGEHJEVAHKJ-OLZOCXBDSA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000631843458 370709919 /nfs/dbraw/zinc/70/99/19/370709919.db2.gz OGPSMOBPQDKFAB-LOWDOPEQSA-N 2 1 269.389 0.149 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000631843458 370709923 /nfs/dbraw/zinc/70/99/23/370709923.db2.gz OGPSMOBPQDKFAB-LOWDOPEQSA-N 2 1 269.389 0.149 10 0 CCAEMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCC[NH2+]1 ZINC000252769035 291362167 /nfs/dbraw/zinc/36/21/67/291362167.db2.gz HHABURYOWDPAAR-GZBFAFLISA-N 2 1 281.400 0.498 10 0 CCAEMP CO[C@@H]1CN(CCCc2c[nH+]cn2C)[C@@](C)(C[NH3+])C1 ZINC000630369622 370071032 /nfs/dbraw/zinc/07/10/32/370071032.db2.gz WZPRJMDZYVEBRN-UONOGXRCSA-N 2 1 266.389 0.791 10 0 CCAEMP Cc1cc(NC(=O)N2CCO[C@@H](C[NH3+])C2)cn2cc[nH+]c12 ZINC000333313833 205210784 /nfs/dbraw/zinc/21/07/84/205210784.db2.gz MBDLCXFJPIIVQN-LBPRGKRZSA-N 2 1 289.339 0.834 10 0 CCAEMP C[C@@]1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[NH2+]CCO1 ZINC000638087202 374646555 /nfs/dbraw/zinc/64/65/55/374646555.db2.gz OWDUGPPPNRDUHB-OCCSQVGLSA-N 2 1 267.373 0.062 10 0 CCAEMP C[C@@]1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[NH2+]CCO1 ZINC000638087202 374646567 /nfs/dbraw/zinc/64/65/67/374646567.db2.gz OWDUGPPPNRDUHB-OCCSQVGLSA-N 2 1 267.373 0.062 10 0 CCAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261887381 295272225 /nfs/dbraw/zinc/27/22/25/295272225.db2.gz ZVTFSISSSKIHTN-NTZNESFSSA-N 2 1 251.374 0.714 10 0 CCAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CN2CCCC2=O)CCN1C ZINC000246318047 285014950 /nfs/dbraw/zinc/01/49/50/285014950.db2.gz AGLWLZHKRIPPOP-MGPQQGTHSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC000246318047 285014953 /nfs/dbraw/zinc/01/49/53/285014953.db2.gz AGLWLZHKRIPPOP-MGPQQGTHSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC000246318047 285014955 /nfs/dbraw/zinc/01/49/55/285014955.db2.gz AGLWLZHKRIPPOP-MGPQQGTHSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CN2CCCC2=O)CC[NH+]1C ZINC000246318047 285014958 /nfs/dbraw/zinc/01/49/58/285014958.db2.gz AGLWLZHKRIPPOP-MGPQQGTHSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000187192398 388870596 /nfs/dbraw/zinc/87/05/96/388870596.db2.gz NJKQJKKAYHNNHR-CYBMUJFWSA-N 2 1 286.420 0.084 10 0 CCAEMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000187192398 388870599 /nfs/dbraw/zinc/87/05/99/388870599.db2.gz NJKQJKKAYHNNHR-CYBMUJFWSA-N 2 1 286.420 0.084 10 0 CCAEMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000187192398 388870602 /nfs/dbraw/zinc/87/06/02/388870602.db2.gz NJKQJKKAYHNNHR-CYBMUJFWSA-N 2 1 286.420 0.084 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000311945953 389106159 /nfs/dbraw/zinc/10/61/59/389106159.db2.gz KKRFWOMGETURPI-KKUMJFAQSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000311945953 389106160 /nfs/dbraw/zinc/10/61/60/389106160.db2.gz KKRFWOMGETURPI-KKUMJFAQSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195132357 389116528 /nfs/dbraw/zinc/11/65/28/389116528.db2.gz JHIYMISTMBDCGE-OLZOCXBDSA-N 2 1 268.405 0.864 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000195132357 389116529 /nfs/dbraw/zinc/11/65/29/389116529.db2.gz JHIYMISTMBDCGE-OLZOCXBDSA-N 2 1 268.405 0.864 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000195132357 389116530 /nfs/dbraw/zinc/11/65/30/389116530.db2.gz JHIYMISTMBDCGE-OLZOCXBDSA-N 2 1 268.405 0.864 10 0 CCAEMP [NH3+]CC[NH2+]CCCNC(=O)OCc1ccccc1 ZINC000196162806 389128939 /nfs/dbraw/zinc/12/89/39/389128939.db2.gz TXPXJMLBLARBPX-UHFFFAOYSA-N 2 1 251.330 0.851 10 0 CCAEMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000133761255 389238749 /nfs/dbraw/zinc/23/87/49/389238749.db2.gz SPVWHBAPQISBGW-JTQLQIEISA-N 2 1 272.349 0.065 10 0 CCAEMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000133761440 389238996 /nfs/dbraw/zinc/23/89/96/389238996.db2.gz SPVWHBAPQISBGW-SNVBAGLBSA-N 2 1 272.349 0.065 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(C(C)(C)C)n1 ZINC000263133417 389297863 /nfs/dbraw/zinc/29/78/63/389297863.db2.gz BXABUWFIUDJQCO-CMPLNLGQSA-N 2 1 266.389 0.388 10 0 CCAEMP COC[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000173681852 285340601 /nfs/dbraw/zinc/34/06/01/285340601.db2.gz JQQRIQHJOARJGF-JKSUJKDBSA-N 2 1 299.459 0.748 10 0 CCAEMP COc1cc(C)[nH+]c(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415145578 389663717 /nfs/dbraw/zinc/66/37/17/389663717.db2.gz WMALQNDWZUGYPG-UONOGXRCSA-N 2 1 263.341 0.571 10 0 CCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398728380 389784257 /nfs/dbraw/zinc/78/42/57/389784257.db2.gz KHCQVVTXVFAXHQ-XUXIUFHCSA-N 2 1 256.390 0.392 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398728380 389784258 /nfs/dbraw/zinc/78/42/58/389784258.db2.gz KHCQVVTXVFAXHQ-XUXIUFHCSA-N 2 1 256.390 0.392 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398728380 389784259 /nfs/dbraw/zinc/78/42/59/389784259.db2.gz KHCQVVTXVFAXHQ-XUXIUFHCSA-N 2 1 256.390 0.392 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398728380 389784260 /nfs/dbraw/zinc/78/42/60/389784260.db2.gz KHCQVVTXVFAXHQ-XUXIUFHCSA-N 2 1 256.390 0.392 10 0 CCAEMP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000649327943 390585911 /nfs/dbraw/zinc/58/59/11/390585911.db2.gz RACPQVUNXXUSJX-QWRGUYRKSA-N 2 1 273.327 0.538 10 0 CCAEMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000649333335 390589243 /nfs/dbraw/zinc/58/92/43/390589243.db2.gz NCXDJFBZWUAYCB-BZPMIXESSA-N 2 1 269.389 0.354 10 0 CCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649298945 390558943 /nfs/dbraw/zinc/55/89/43/390558943.db2.gz NHDRYOBUEGWFST-QWHCGFSZSA-N 2 1 269.389 0.023 10 0 CCAEMP COC[C@@]1(C(=O)NCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000649312288 390570481 /nfs/dbraw/zinc/57/04/81/390570481.db2.gz FUBCQMFXLFQENW-CYBMUJFWSA-N 2 1 266.345 0.076 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000250668599 131125987 /nfs/dbraw/zinc/12/59/87/131125987.db2.gz SVTYPVOIKTUVBH-RAIGVLPGSA-N 2 1 251.374 0.714 10 0 CCAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261628742 131157488 /nfs/dbraw/zinc/15/74/88/131157488.db2.gz CTBDLFJVWLHLKF-RTXFEEFZSA-N 2 1 280.372 0.450 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000044538741 411629418 /nfs/dbraw/zinc/62/94/18/411629418.db2.gz GIIPVHWFADBDEV-HIFPTAJRSA-N 2 1 253.390 0.962 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129716281 411720776 /nfs/dbraw/zinc/72/07/76/411720776.db2.gz LVDGCRJXGDMHHX-ZDUSSCGKSA-N 2 1 282.432 0.128 10 0 CCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1CCSCC1)C2 ZINC000020524107 171237189 /nfs/dbraw/zinc/23/71/89/171237189.db2.gz DPQWBEASCDWHKH-FUNVUKJBSA-N 2 1 255.431 0.989 10 0 CCAEMP C[NH+]1CCN(CCC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022151963 171358950 /nfs/dbraw/zinc/35/89/50/171358950.db2.gz XPHJAEBZDCCQOB-UHFFFAOYSA-N 2 1 276.384 0.721 10 0 CCAEMP NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022173413 171369215 /nfs/dbraw/zinc/36/92/15/171369215.db2.gz NNXSVIZOGYQGLD-LBPRGKRZSA-N 2 1 290.367 0.281 10 0 CCAEMP NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022173413 171369216 /nfs/dbraw/zinc/36/92/16/171369216.db2.gz NNXSVIZOGYQGLD-LBPRGKRZSA-N 2 1 290.367 0.281 10 0 CCAEMP O=C([C@H]1CCC[N@H+]1C/C=C/Cl)N1CC[NH2+]CC1 ZINC000040508411 174303585 /nfs/dbraw/zinc/30/35/85/174303585.db2.gz QLTIQIVJQAVXFW-JRBALWBOSA-N 2 1 257.765 0.635 10 0 CCAEMP O=C([C@H]1CCC[N@@H+]1C/C=C/Cl)N1CC[NH2+]CC1 ZINC000040508411 174303586 /nfs/dbraw/zinc/30/35/86/174303586.db2.gz QLTIQIVJQAVXFW-JRBALWBOSA-N 2 1 257.765 0.635 10 0 CCAEMP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1N(C)C ZINC000662278339 414705308 /nfs/dbraw/zinc/70/53/08/414705308.db2.gz FZFMIRZFZAUATH-FRRDWIJNSA-N 2 1 253.390 0.389 10 0 CCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1N(C)C ZINC000662278339 414705309 /nfs/dbraw/zinc/70/53/09/414705309.db2.gz FZFMIRZFZAUATH-FRRDWIJNSA-N 2 1 253.390 0.389 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662703288 414743796 /nfs/dbraw/zinc/74/37/96/414743796.db2.gz JBUPLCMNQFYGMX-HBNTYKKESA-N 2 1 293.333 0.985 10 0 CCAEMP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851597 414842818 /nfs/dbraw/zinc/84/28/18/414842818.db2.gz BXJZGQGIVNXCIX-SWLSCSKDSA-N 2 1 283.416 0.744 10 0 CCAEMP COCCN(CCC(N)=[NH2+])CCn1cc[nH+]c1C ZINC000071228922 176090995 /nfs/dbraw/zinc/09/09/95/176090995.db2.gz BNRHZIWTPGDUDU-UHFFFAOYSA-N 2 1 253.350 0.466 10 0 CCAEMP C[N@@H+](CCn1ccc(N)n1)CC1CC[NH+](C)CC1 ZINC000071378337 176142773 /nfs/dbraw/zinc/14/27/73/176142773.db2.gz HUIKGFORMOWKAE-UHFFFAOYSA-N 2 1 251.378 0.739 10 0 CCAEMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC000072411616 176399048 /nfs/dbraw/zinc/39/90/48/176399048.db2.gz UJJTTZYEDLSZCP-CQSZACIVSA-N 3 1 266.389 0.711 10 0 CCAEMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1C[NH2+]C1 ZINC000227155113 269747541 /nfs/dbraw/zinc/74/75/41/269747541.db2.gz PMFISTSTJAAHPQ-SGMGOOAPSA-N 2 1 265.401 0.785 10 0 CCAEMP CC1([NH+]2CCOCC2)CCC([NH+]2CCNCC2)CC1 ZINC000725262754 545881409 /nfs/dbraw/zinc/88/14/09/545881409.db2.gz OPEINFIFBLEJSM-UHFFFAOYSA-N 2 1 267.417 0.925 10 0 CCAEMP CC(C)CN1CC[NH+](C2CCN(CC[NH3+])CC2)CC1 ZINC000725273779 545889378 /nfs/dbraw/zinc/88/93/78/545889378.db2.gz FAAPRGXBLFKGMZ-UHFFFAOYSA-N 2 1 268.449 0.683 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250347692 544922262 /nfs/dbraw/zinc/92/22/62/544922262.db2.gz QRZZMLAQNMBMJH-XQQFMLRXSA-N 2 1 253.390 0.962 10 0 CCAEMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262098259 544939166 /nfs/dbraw/zinc/93/91/66/544939166.db2.gz IHWBNILTROLSSX-JSGCOSHPSA-N 2 1 273.336 0.610 10 0 CCAEMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262141955 544942062 /nfs/dbraw/zinc/94/20/62/544942062.db2.gz PURPIEXBRVVIMO-CJNGLKHVSA-N 2 1 286.379 0.851 10 0 CCAEMP CC(C)n1ncc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)cnc21 ZINC000262146933 544942262 /nfs/dbraw/zinc/94/22/62/544942262.db2.gz QNDXARXZXPOPLA-KBPBESRZSA-N 2 1 289.383 0.682 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322637721 545016156 /nfs/dbraw/zinc/01/61/56/545016156.db2.gz XEAXQYSWEINERK-JVGWCMFKSA-N 2 1 251.374 0.583 10 0 CCAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C12CCOCC2 ZINC000329939382 276345456 /nfs/dbraw/zinc/34/54/56/276345456.db2.gz FQIAKOXLRIQDOU-KFWWJZLASA-N 2 1 298.427 0.617 10 0 CCAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C12CCOCC2 ZINC000329939382 276345457 /nfs/dbraw/zinc/34/54/57/276345457.db2.gz FQIAKOXLRIQDOU-KFWWJZLASA-N 2 1 298.427 0.617 10 0 CCAEMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000261701717 277135295 /nfs/dbraw/zinc/13/52/95/277135295.db2.gz IBWOQKOJSKIVKK-ZYHUDNBSSA-N 2 1 256.346 0.248 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106386542 280207767 /nfs/dbraw/zinc/20/77/67/280207767.db2.gz JCLRFTQCRWNDAE-HZPDHXFCSA-N 2 1 299.459 0.484 10 0 CCAEMP CC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@@H+]1CCOC ZINC000178776794 280345630 /nfs/dbraw/zinc/34/56/30/280345630.db2.gz GGECZNPYRMIPCQ-CYBMUJFWSA-N 2 1 283.416 0.827 10 0 CCAEMP CC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@H+]1CCOC ZINC000178776794 280345631 /nfs/dbraw/zinc/34/56/31/280345631.db2.gz GGECZNPYRMIPCQ-CYBMUJFWSA-N 2 1 283.416 0.827 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000389523311 545086880 /nfs/dbraw/zinc/08/68/80/545086880.db2.gz AAYSGAJCNBLMHB-CHWSQXEVSA-N 2 1 253.390 0.977 10 0 CCAEMP CCO[C@H]1CCC[N@@H+](CCn2cc(C[NH3+])nn2)C1 ZINC000052372232 520526030 /nfs/dbraw/zinc/52/60/30/520526030.db2.gz HUZVJMJOWAFWMF-LBPRGKRZSA-N 2 1 253.350 0.238 10 0 CCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000246735104 524574022 /nfs/dbraw/zinc/57/40/22/524574022.db2.gz YPNGZBPRAUELAC-UONOGXRCSA-N 2 1 295.427 0.840 10 0 CCAEMP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263309642 535458289 /nfs/dbraw/zinc/45/82/89/535458289.db2.gz YJOHGHMHGSFRNJ-OCCSQVGLSA-N 2 1 250.342 0.755 10 0 CCAEMP COc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263259617 536576315 /nfs/dbraw/zinc/57/63/15/536576315.db2.gz 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625769885 /nfs/dbraw/zinc/76/98/85/625769885.db2.gz FIAHQOGMSAMGCS-OLZOCXBDSA-N 2 1 260.378 0.214 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CCCCC[NH3+])C[C@H]1C ZINC000155677380 635621814 /nfs/dbraw/zinc/62/18/14/635621814.db2.gz WLLOQVZLVFHLJG-CHWSQXEVSA-N 2 1 271.405 0.419 10 0 CCAEMP C(c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[C@H]1CC[NH2+]C1 ZINC000227578537 637031610 /nfs/dbraw/zinc/03/16/10/637031610.db2.gz CCAGYSYQIGMLQB-IJLUTSLNSA-N 2 1 278.356 0.757 10 0 CCAEMP C(c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[C@H]1CC[NH2+]C1 ZINC000227578537 637031616 /nfs/dbraw/zinc/03/16/16/637031616.db2.gz CCAGYSYQIGMLQB-IJLUTSLNSA-N 2 1 278.356 0.757 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000300531322 648121894 /nfs/dbraw/zinc/12/18/94/648121894.db2.gz DIBHEBFRMZMSFB-KXNHARMFSA-N 2 1 278.356 0.928 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000300531322 648121898 /nfs/dbraw/zinc/12/18/98/648121898.db2.gz DIBHEBFRMZMSFB-KXNHARMFSA-N 2 1 278.356 0.928 10 0 CCAEMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000094085736 649739443 /nfs/dbraw/zinc/73/94/43/649739443.db2.gz NNFLBIVLBHCQRG-GFCCVEGCSA-N 2 1 275.418 0.142 10 0 CCAEMP C([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCOCC1 ZINC000091662410 349472032 /nfs/dbraw/zinc/47/20/32/349472032.db2.gz JZOCISFVLTWSKU-KBPBESRZSA-N 2 1 254.374 0.866 10 0 CCAEMP C([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCOCC1 ZINC000091662410 349472034 /nfs/dbraw/zinc/47/20/34/349472034.db2.gz JZOCISFVLTWSKU-KBPBESRZSA-N 2 1 254.374 0.866 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105174474 349721206 /nfs/dbraw/zinc/72/12/06/349721206.db2.gz ONDONLHCKSROFE-QWHCGFSZSA-N 2 1 284.404 0.101 10 0 CCAEMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000111270884 349769241 /nfs/dbraw/zinc/76/92/41/349769241.db2.gz LBDMMUOKRUUDQN-KFWWJZLASA-N 2 1 296.459 0.230 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000113612637 349817867 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257.378 0.071 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129687815 350220510 /nfs/dbraw/zinc/22/05/10/350220510.db2.gz GCQZINBJXSLIQZ-ZDUSSCGKSA-N 2 1 282.432 0.271 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000105269518 186048359 /nfs/dbraw/zinc/04/83/59/186048359.db2.gz NJAMLIJDTHDSAZ-AAEUAGOBSA-N 2 1 268.405 0.815 10 0 CCAEMP C[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)CC[N@H+]1C ZINC000151251190 350496685 /nfs/dbraw/zinc/49/66/85/350496685.db2.gz OWJJQEPWRUQMSI-KFWWJZLASA-N 3 1 269.433 0.906 10 0 CCAEMP CC[N@@H+](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CC1 ZINC000152722356 350539602 /nfs/dbraw/zinc/53/96/02/350539602.db2.gz YNJVTTHULGEWHF-CYBMUJFWSA-N 2 1 269.389 0.260 10 0 CCAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000176982543 351190285 /nfs/dbraw/zinc/19/02/85/351190285.db2.gz CDCQXUKYSNNMPW-STQMWFEESA-N 2 1 269.389 0.260 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000176982543 351190288 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C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000333298322 354755644 /nfs/dbraw/zinc/75/56/44/354755644.db2.gz IQPGBMIQQUYXOY-WZRBSPASSA-N 2 1 266.389 0.744 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762652 372208938 /nfs/dbraw/zinc/20/89/38/372208938.db2.gz CQTBKLBMXIZQCZ-GUTXKFCHSA-N 2 1 265.401 0.977 10 0 CCAEMP C[N@@H+](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634766729 372213767 /nfs/dbraw/zinc/21/37/67/372213767.db2.gz SFCYPRCXHPQBTE-FZMZJTMJSA-N 2 1 251.374 0.587 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000333519296 205399189 /nfs/dbraw/zinc/39/91/89/205399189.db2.gz GLJGUPFNSFXPEN-YUELXQCFSA-N 2 1 288.395 0.943 10 0 CCAEMP C[C@@]1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[NH2+]CCO1 ZINC000638087201 374647416 /nfs/dbraw/zinc/64/74/16/374647416.db2.gz OWDUGPPPNRDUHB-JSGCOSHPSA-N 2 1 267.373 0.062 10 0 CCAEMP C[C@@]1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[NH2+]CCO1 ZINC000638087201 374647423 /nfs/dbraw/zinc/64/74/23/374647423.db2.gz OWDUGPPPNRDUHB-JSGCOSHPSA-N 2 1 267.373 0.062 10 0 CCAEMP CC[N@@H+](CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)C1CC1 ZINC000246363809 285016915 /nfs/dbraw/zinc/01/69/15/285016915.db2.gz XQZZNFMCURZRLN-OLZOCXBDSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[N@H+](CC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)C1CC1 ZINC000246363809 285016918 /nfs/dbraw/zinc/01/69/18/285016918.db2.gz XQZZNFMCURZRLN-OLZOCXBDSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[N@@H+](CC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)C1CC1 ZINC000246363809 285016920 /nfs/dbraw/zinc/01/69/20/285016920.db2.gz XQZZNFMCURZRLN-OLZOCXBDSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[NH+](CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C1CC1 ZINC000246363809 285016921 /nfs/dbraw/zinc/01/69/21/285016921.db2.gz XQZZNFMCURZRLN-OLZOCXBDSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116790701 285193647 /nfs/dbraw/zinc/19/36/47/285193647.db2.gz WLBONNFTKWHGRQ-ZIAGYGMSSA-N 2 1 283.416 0.650 10 0 CCAEMP CC(C)NC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862567 389088357 /nfs/dbraw/zinc/08/83/57/389088357.db2.gz FUZQBSHLVKSESI-CQSZACIVSA-N 2 1 299.459 0.926 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306786831 389091062 /nfs/dbraw/zinc/09/10/62/389091062.db2.gz PRKPRRMWPWAVMK-DJIMGWMZSA-N 2 1 289.423 0.916 10 0 CCAEMP COC(=O)CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000152296333 389287097 /nfs/dbraw/zinc/28/70/97/389287097.db2.gz ZUNVWYYRHQSRMI-AWEZNQCLSA-N 2 1 283.416 0.651 10 0 CCAEMP COC(=O)CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000152296333 389287100 /nfs/dbraw/zinc/28/71/00/389287100.db2.gz ZUNVWYYRHQSRMI-AWEZNQCLSA-N 2 1 283.416 0.651 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOCCO)CC1 ZINC000172624545 389491860 /nfs/dbraw/zinc/49/18/60/389491860.db2.gz LIKWDPQHHIOZMJ-CYBMUJFWSA-N 2 1 274.405 0.020 10 0 CCAEMP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](C)[N@@H+]1CCO ZINC000333658667 389438717 /nfs/dbraw/zinc/43/87/17/389438717.db2.gz LESOSSDRDCIWRQ-MJBXVCDLSA-N 2 1 298.431 0.225 10 0 CCAEMP CC[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@H+]1CCOC ZINC000178776763 389621926 /nfs/dbraw/zinc/62/19/26/389621926.db2.gz QYMNOGLNKWMNPG-GFCCVEGCSA-N 2 1 271.405 0.683 10 0 CCAEMP CC[NH+]1CCN(C(=O)C2(CCOC)CC[NH2+]CC2)CC1 ZINC000649275623 390544245 /nfs/dbraw/zinc/54/42/45/390544245.db2.gz VHWWAKWQICTTQH-UHFFFAOYSA-N 2 1 283.416 0.557 10 0 CCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649298944 390559133 /nfs/dbraw/zinc/55/91/33/390559133.db2.gz NHDRYOBUEGWFST-OLZOCXBDSA-N 2 1 269.389 0.023 10 0 CCAEMP COCCC1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000649304934 390565506 /nfs/dbraw/zinc/56/55/06/390565506.db2.gz NVLXEAOGJTYRKZ-CYBMUJFWSA-N 2 1 283.416 0.603 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649306054 390565681 /nfs/dbraw/zinc/56/56/81/390565681.db2.gz XTPBWWGYUCSHGV-OCCSQVGLSA-N 2 1 269.389 0.356 10 0 CCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649318451 390576314 /nfs/dbraw/zinc/57/63/14/390576314.db2.gz LRPVDSOXDSEEIT-JSGCOSHPSA-N 2 1 271.405 0.602 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000384255340 397496103 /nfs/dbraw/zinc/49/61/03/397496103.db2.gz OCNAAEWJWOQQSN-KGLIPLIRSA-N 2 1 282.432 0.128 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000261886252 287136029 /nfs/dbraw/zinc/13/60/29/287136029.db2.gz ZSZHILAWPAYPFR-LXTVHRRPSA-N 2 1 297.443 0.808 10 0 CCAEMP [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000020225997 171089359 /nfs/dbraw/zinc/08/93/59/171089359.db2.gz PAAZYGGMLAMBBZ-AWEZNQCLSA-N 2 1 283.803 0.950 10 0 CCAEMP COc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CCO)CC1 ZINC000020225746 171089983 /nfs/dbraw/zinc/08/99/83/171089983.db2.gz AMUKRKHUINKLKG-CQSZACIVSA-N 2 1 279.384 0.305 10 0 CCAEMP COCCCNC(=O)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000020365865 171164581 /nfs/dbraw/zinc/16/45/81/171164581.db2.gz FKPFOWSVUDFDQM-LBPRGKRZSA-N 2 1 273.421 0.705 10 0 CCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1CC[NH+](C)CC1)C2 ZINC000020524089 171237471 /nfs/dbraw/zinc/23/74/71/171237471.db2.gz LSCJUJHBKUADMG-PBWFPOADSA-N 3 1 252.406 0.188 10 0 CCAEMP CN1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000020524089 171237472 /nfs/dbraw/zinc/23/74/72/171237472.db2.gz LSCJUJHBKUADMG-PBWFPOADSA-N 2 1 252.406 0.188 10 0 CCAEMP CN1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000020524089 171237474 /nfs/dbraw/zinc/23/74/74/171237474.db2.gz LSCJUJHBKUADMG-PBWFPOADSA-N 2 1 252.406 0.188 10 0 CCAEMP CC[C@@H](CC[NH3+])N1CCC[N@@H+](C[C@@H](C)C(N)=O)CC1 ZINC000037227041 173047251 /nfs/dbraw/zinc/04/72/51/173047251.db2.gz SGQQWEBTAMDTRY-OLZOCXBDSA-N 2 1 270.421 0.243 10 0 CCAEMP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cc2c[nH+]cn2cn1 ZINC000039073354 174162358 /nfs/dbraw/zinc/16/23/58/174162358.db2.gz OIVBJQRGGRXZFB-KKZNHRDASA-N 2 1 257.297 0.210 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])C1CCOCC1 ZINC000071188399 176063214 /nfs/dbraw/zinc/06/32/14/176063214.db2.gz QKKXDFANVNXYLC-OCCSQVGLSA-N 2 1 255.406 0.624 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000071190511 176066565 /nfs/dbraw/zinc/06/65/65/176066565.db2.gz KSAPPDHGWCPIPA-STQMWFEESA-N 2 1 253.390 0.929 10 0 CCAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)CC1(CO)CCOCC1 ZINC000071191626 176069506 /nfs/dbraw/zinc/06/95/06/176069506.db2.gz LRUGBYNWZDGXGL-ZDUSSCGKSA-N 2 1 256.390 0.659 10 0 CCAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)CC1(CO)CCOCC1 ZINC000071191626 176069508 /nfs/dbraw/zinc/06/95/08/176069508.db2.gz LRUGBYNWZDGXGL-ZDUSSCGKSA-N 2 1 256.390 0.659 10 0 CCAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC1(CO)CCOCC1 ZINC000071191626 176069509 /nfs/dbraw/zinc/06/95/09/176069509.db2.gz LRUGBYNWZDGXGL-ZDUSSCGKSA-N 2 1 256.390 0.659 10 0 CCAEMP CC[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000071191678 176071326 /nfs/dbraw/zinc/07/13/26/176071326.db2.gz XQIJODKJPYTMJE-GFCCVEGCSA-N 2 1 263.389 0.974 10 0 CCAEMP C[N@H+](CC[NH3+])CCCc1ccc2c(c1)NC(=O)CO2 ZINC000076362665 177003069 /nfs/dbraw/zinc/00/30/69/177003069.db2.gz ALPQRXZYNUNEQH-UHFFFAOYSA-N 2 1 263.341 0.841 10 0 CCAEMP C[N@@H+](CC[NH3+])CCCc1ccc2c(c1)NC(=O)CO2 ZINC000076362665 177003070 /nfs/dbraw/zinc/00/30/70/177003070.db2.gz ALPQRXZYNUNEQH-UHFFFAOYSA-N 2 1 263.341 0.841 10 0 CCAEMP [NH3+]C1(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC1 ZINC000094294575 544543790 /nfs/dbraw/zinc/54/37/90/544543790.db2.gz QFLSDUPNDAFRKS-LBPRGKRZSA-N 2 1 251.374 0.955 10 0 CCAEMP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000227433064 544834901 /nfs/dbraw/zinc/83/49/01/544834901.db2.gz DEKSNLSHDPMSTP-NQBHXWOUSA-N 2 1 253.390 0.960 10 0 CCAEMP C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)[C@H](C[NH3+])C1 ZINC000261732577 544937020 /nfs/dbraw/zinc/93/70/20/544937020.db2.gz HUBCHQWDEHBRHB-OUAUKWLOSA-N 2 1 275.343 0.817 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000261845031 544937238 /nfs/dbraw/zinc/93/72/38/544937238.db2.gz VHBSWEMMCFGYFI-RBSFLKMASA-N 2 1 297.443 0.931 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000262098264 544939220 /nfs/dbraw/zinc/93/92/20/544939220.db2.gz IIBSIYGIGXBFNQ-RISCZKNCSA-N 2 1 290.342 0.886 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000262086827 544939296 /nfs/dbraw/zinc/93/92/96/544939296.db2.gz GEISUBAXAASEBZ-AAEUAGOBSA-N 2 1 273.340 0.142 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000311135162 545012339 /nfs/dbraw/zinc/01/23/39/545012339.db2.gz KGFYVJAGTTVYBE-RDBSUJKOSA-N 2 1 257.422 0.569 10 0 CCAEMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263223080 275539475 /nfs/dbraw/zinc/53/94/75/275539475.db2.gz MGKXYUALNBEKDY-KOLCDFICSA-N 2 1 252.362 0.377 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000105862064 278395167 /nfs/dbraw/zinc/39/51/67/278395167.db2.gz XHWSEZKWEHSLQC-CYBMUJFWSA-N 2 1 299.459 0.926 10 0 CCAEMP CC(C)C[C@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000091408324 279147159 /nfs/dbraw/zinc/14/71/59/279147159.db2.gz BFJCTUQZRRHUOP-CYBMUJFWSA-N 2 1 269.389 0.069 10 0 CCAEMP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCC(CO)CC1 ZINC000038043016 280086485 /nfs/dbraw/zinc/08/64/85/280086485.db2.gz MVTBFZDBLZDQJB-HNNXBMFYSA-N 2 1 295.427 0.434 10 0 CCAEMP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC(CO)CC1 ZINC000038043016 280086486 /nfs/dbraw/zinc/08/64/86/280086486.db2.gz MVTBFZDBLZDQJB-HNNXBMFYSA-N 2 1 295.427 0.434 10 0 CCAEMP O=C([C@H]1CCCC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178746976 280129466 /nfs/dbraw/zinc/12/94/66/280129466.db2.gz GTHJNYUBENBCRW-CYBMUJFWSA-N 2 1 251.374 0.825 10 0 CCAEMP CC[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000246731996 280347401 /nfs/dbraw/zinc/34/74/01/280347401.db2.gz YKKADAVBEBJOJC-DZGCQCFKSA-N 2 1 297.443 0.680 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1C ZINC000261787282 290092755 /nfs/dbraw/zinc/09/27/55/290092755.db2.gz PVOMOXOWJXZTOC-ZOBORPQBSA-N 2 1 283.416 0.417 10 0 CCAEMP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333944165 295252483 /nfs/dbraw/zinc/25/24/83/295252483.db2.gz RREJYIKYQUJHRY-YNEHKIRRSA-N 2 1 266.389 0.746 10 0 CCAEMP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394380314 545087995 /nfs/dbraw/zinc/08/79/95/545087995.db2.gz NTJJBXHOYHNNIC-KGLIPLIRSA-N 2 1 280.416 0.025 10 0 CCAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)CC(=O)N(CC)CC ZINC000062741078 520516694 /nfs/dbraw/zinc/51/66/94/520516694.db2.gz RNIMCTAVQWOQFD-LBPRGKRZSA-N 2 1 259.394 0.541 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449348042 545096459 /nfs/dbraw/zinc/09/64/59/545096459.db2.gz ALOZUOLBHBCHHU-RVMXOQNASA-N 2 1 251.374 0.809 10 0 CCAEMP CC(C)C[NH2+]C[C@@]1(C[N@H+]2CC[C@H](O)C2)CCOC1 ZINC000061711800 519745858 /nfs/dbraw/zinc/74/58/58/519745858.db2.gz YPTQZYMCJCTFBS-UONOGXRCSA-N 2 1 256.390 0.705 10 0 CCAEMP CC[N@@H+]1CC[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000049309785 521710830 /nfs/dbraw/zinc/71/08/30/521710830.db2.gz BJJCZGJVHQRHRS-VIFPVBQESA-N 2 1 267.295 0.596 10 0 CCAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000049309785 521710831 /nfs/dbraw/zinc/71/08/31/521710831.db2.gz BJJCZGJVHQRHRS-VIFPVBQESA-N 2 1 267.295 0.596 10 0 CCAEMP COC[C@H]([NH3+])C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000262280659 522692500 /nfs/dbraw/zinc/69/25/00/522692500.db2.gz LTMIHLZUSHZKDA-LBPRGKRZSA-N 2 1 280.372 0.175 10 0 CCAEMP C[C@H]1C[N@H+](CCn2cc(C[NH3+])nn2)CC(C)(C)O1 ZINC000052543530 524604287 /nfs/dbraw/zinc/60/42/87/524604287.db2.gz XHWUUISKRLZOKV-JTQLQIEISA-N 2 1 253.350 0.236 10 0 CCAEMP C[C@H]1C[N@@H+](CCn2cc(C[NH3+])nn2)CC(C)(C)O1 ZINC000052543530 524604295 /nfs/dbraw/zinc/60/42/95/524604295.db2.gz XHWUUISKRLZOKV-JTQLQIEISA-N 2 1 253.350 0.236 10 0 CCAEMP C[C@@H]1C[N@H+](CCn2cc(C[NH3+])nn2)CC(C)(C)O1 ZINC000052543529 524962578 /nfs/dbraw/zinc/96/25/78/524962578.db2.gz XHWUUISKRLZOKV-SNVBAGLBSA-N 2 1 253.350 0.236 10 0 CCAEMP C[C@@H]1C[N@@H+](CCn2cc(C[NH3+])nn2)CC(C)(C)O1 ZINC000052543529 524962587 /nfs/dbraw/zinc/96/25/87/524962587.db2.gz XHWUUISKRLZOKV-SNVBAGLBSA-N 2 1 253.350 0.236 10 0 CCAEMP O=C([C@@H]1CCC[N@H+]1[C@@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000061590668 526472993 /nfs/dbraw/zinc/47/29/93/526472993.db2.gz RAAYMDIRKDCIID-OLZOCXBDSA-N 2 1 283.441 0.778 10 0 CCAEMP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000262577335 535525600 /nfs/dbraw/zinc/52/56/00/535525600.db2.gz OXUJJBSARYDATF-GXTWGEPZSA-N 2 1 271.405 0.419 10 0 CCAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCOCC1 ZINC000398953093 581206198 /nfs/dbraw/zinc/20/61/98/581206198.db2.gz FRMDFGRZGUFWOO-LBPRGKRZSA-N 2 1 256.390 0.848 10 0 CCAEMP COC(=O)[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000311579016 637324886 /nfs/dbraw/zinc/32/48/86/637324886.db2.gz ODUZZASJDUUPBX-YNEHKIRRSA-N 2 1 272.389 0.428 10 0 CCAEMP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000311579016 637324889 /nfs/dbraw/zinc/32/48/89/637324889.db2.gz ODUZZASJDUUPBX-YNEHKIRRSA-N 2 1 272.389 0.428 10 0 CCAEMP COC(=O)[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000311579016 637324894 /nfs/dbraw/zinc/32/48/94/637324894.db2.gz ODUZZASJDUUPBX-YNEHKIRRSA-N 2 1 272.389 0.428 10 0 CCAEMP COC(=O)[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000311579016 637324899 /nfs/dbraw/zinc/32/48/99/637324899.db2.gz ODUZZASJDUUPBX-YNEHKIRRSA-N 2 1 272.389 0.428 10 0 CCAEMP CC(C)([NH3+])Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000252547241 649828427 /nfs/dbraw/zinc/82/84/27/649828427.db2.gz LHEGENRUUZIQIJ-VHSXEESVSA-N 2 1 266.345 0.885 10 0 CCAEMP CC(C)([NH3+])Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000252547241 649828429 /nfs/dbraw/zinc/82/84/29/649828429.db2.gz LHEGENRUUZIQIJ-VHSXEESVSA-N 2 1 266.345 0.885 10 0 CCAEMP CC(C)(C[NH3+])c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000252698042 649833798 /nfs/dbraw/zinc/83/37/98/649833798.db2.gz KTERJDJULAPOQA-VHSXEESVSA-N 2 1 266.345 0.842 10 0 CCAEMP CC(C)(C[NH3+])c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000252698042 649833800 /nfs/dbraw/zinc/83/38/00/649833800.db2.gz KTERJDJULAPOQA-VHSXEESVSA-N 2 1 266.345 0.842 10 0 CCAEMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)C2 ZINC000335187902 282175872 /nfs/dbraw/zinc/17/58/72/282175872.db2.gz QPAVYKOCDVVXGR-GFCCVEGCSA-N 2 1 276.384 0.964 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000601326119 362222423 /nfs/dbraw/zinc/22/24/23/362222423.db2.gz KDYAWGFAIBCDHR-MNOVXSKESA-N 2 1 282.388 0.281 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000601326119 362222429 /nfs/dbraw/zinc/22/24/29/362222429.db2.gz KDYAWGFAIBCDHR-MNOVXSKESA-N 2 1 282.388 0.281 10 0 CCAEMP Cc1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)n1-c1ccccc1 ZINC000263154591 137059098 /nfs/dbraw/zinc/05/90/98/137059098.db2.gz DHDBIQHOTHKGPN-CJNGLKHVSA-N 2 1 286.379 0.851 10 0 CCAEMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262316304 137037296 /nfs/dbraw/zinc/03/72/96/137037296.db2.gz QWLZRDGKQXJMGS-RYUDHWBXSA-N 2 1 280.372 0.093 10 0 CCAEMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262316306 137037559 /nfs/dbraw/zinc/03/75/59/137037559.db2.gz QWLZRDGKQXJMGS-VXGBXAGGSA-N 2 1 280.372 0.093 10 0 CCAEMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263255808 137061732 /nfs/dbraw/zinc/06/17/32/137061732.db2.gz FNNOZCQTQNKPPM-NSHDSACASA-N 2 1 253.390 0.833 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccccc2)n1 ZINC000263283899 137062621 /nfs/dbraw/zinc/06/26/21/137062621.db2.gz USDDEJFRPBLMIH-ZFWWWQNUSA-N 2 1 286.379 0.757 10 0 CCAEMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1[NH+](C)C ZINC000310939434 137072775 /nfs/dbraw/zinc/07/27/75/137072775.db2.gz KSYAEYYOLIFXIO-BNOWGMLFSA-N 2 1 255.406 0.323 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc2c1OCO2 ZINC000263219919 137060377 /nfs/dbraw/zinc/06/03/77/137060377.db2.gz LRUOSWDTXUNXKV-MNOVXSKESA-N 2 1 280.324 0.094 10 0 CCAEMP COCCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263222149 137060870 /nfs/dbraw/zinc/06/08/70/137060870.db2.gz MBEXHPFENDVFDY-HIFRSBDPSA-N 2 1 280.368 0.382 10 0 CCAEMP Cn1c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cc2sc1=O ZINC000263223585 137060991 /nfs/dbraw/zinc/06/09/91/137060991.db2.gz MIYBXUYZIZGZNJ-ZYHUDNBSSA-N 2 1 293.392 0.270 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000263243755 137061168 /nfs/dbraw/zinc/06/11/68/137061168.db2.gz OZDCKFBIYISWQS-WCQYABFASA-N 2 1 290.392 0.875 10 0 CCAEMP CC1CC[NH+](CCCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371749 349363649 /nfs/dbraw/zinc/36/36/49/349363649.db2.gz GBCJFZYZAJFRRU-CYBMUJFWSA-N 2 1 269.389 0.213 10 0 CCAEMP CCOC(=O)[C@H](C)[NH+]1CCC(C[NH2+]CCOC)CC1 ZINC000104418560 185995239 /nfs/dbraw/zinc/99/52/39/185995239.db2.gz ZAXDWNSDFZVONS-LBPRGKRZSA-N 2 1 272.389 0.886 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129688032 350220465 /nfs/dbraw/zinc/22/04/65/350220465.db2.gz GCQZINBJXSLIQZ-CYBMUJFWSA-N 2 1 282.432 0.271 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000132964580 350321238 /nfs/dbraw/zinc/32/12/38/350321238.db2.gz HQDCUBYOODGAMA-OLZOCXBDSA-N 2 1 282.432 0.269 10 0 CCAEMP CCC[C@H](C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000162127417 350736888 /nfs/dbraw/zinc/73/68/88/350736888.db2.gz NGBOPJWMLRRZNI-HUUCEWRRSA-N 2 1 298.475 0.716 10 0 CCAEMP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H]1CCC[N@@H+](C)C1 ZINC000188919377 351639438 /nfs/dbraw/zinc/63/94/38/351639438.db2.gz SLRBDEYHXYTRNJ-SNVBAGLBSA-N 2 1 277.372 0.222 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000193129648 351812580 /nfs/dbraw/zinc/81/25/80/351812580.db2.gz KFXKVDHQPNEIAI-IHRRRGAJSA-N 2 1 283.416 0.696 10 0 CCAEMP C[NH+](C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000237196207 352251611 /nfs/dbraw/zinc/25/16/11/352251611.db2.gz GKGOSMCCDDFJMI-UONOGXRCSA-N 2 1 283.416 0.602 10 0 CCAEMP CO[C@@H]1CN(CCC[NH+]2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630362934 370064535 /nfs/dbraw/zinc/06/45/35/370064535.db2.gz BXWYLEBKSJRCAP-UONOGXRCSA-N 2 1 271.405 0.147 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767071 372213684 /nfs/dbraw/zinc/21/36/84/372213684.db2.gz HHKIVNNBQABQEC-JSGCOSHPSA-N 2 1 269.389 0.071 10 0 CCAEMP CC[NH+]1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000334957789 207359332 /nfs/dbraw/zinc/35/93/32/207359332.db2.gz RGRKZLPVXCWGAV-TZMCWYRMSA-N 2 1 268.405 0.661 10 0 CCAEMP O=C(NC[C@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000335305574 208151002 /nfs/dbraw/zinc/15/10/02/208151002.db2.gz QSLATJVYJNDHOO-QWHCGFSZSA-N 2 1 266.389 0.476 10 0 CCAEMP CC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302237762 389066246 /nfs/dbraw/zinc/06/62/46/389066246.db2.gz WLYSKSSXFKVPQX-NSHDSACASA-N 2 1 278.356 0.073 10 0 CCAEMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[N@@H+](C)C1CC1 ZINC000220175545 389138905 /nfs/dbraw/zinc/13/89/05/389138905.db2.gz IXNUGDGOCWPKSL-DMDPSCGWSA-N 2 1 253.390 0.973 10 0 CCAEMP COC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000126665714 389171236 /nfs/dbraw/zinc/17/12/36/389171236.db2.gz HZXOUMMLAPJJPB-TZMCWYRMSA-N 2 1 274.405 0.018 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333450627 389413624 /nfs/dbraw/zinc/41/36/24/389413624.db2.gz XMDIPXUWLKNPHT-MBNYWOFBSA-N 2 1 280.416 0.910 10 0 CCAEMP O[C@]1(CN[C@@H]2CC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422980753 389516433 /nfs/dbraw/zinc/51/64/33/389516433.db2.gz QXLUGGHCXWXGBX-CVEARBPZSA-N 2 1 275.396 0.575 10 0 CCAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CN2CCCC2=O)CCN1C ZINC000177060258 389570120 /nfs/dbraw/zinc/57/01/20/389570120.db2.gz AGLWLZHKRIPPOP-RDBSUJKOSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC000177060258 389570123 /nfs/dbraw/zinc/57/01/23/389570123.db2.gz AGLWLZHKRIPPOP-RDBSUJKOSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC000177060258 389570124 /nfs/dbraw/zinc/57/01/24/389570124.db2.gz AGLWLZHKRIPPOP-RDBSUJKOSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H](c1ccc(O)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030886 174023665 /nfs/dbraw/zinc/02/36/65/174023665.db2.gz UYDFXTBHBZKUFU-LBPRGKRZSA-N 2 1 277.368 0.817 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@]1(C[NH3+])CN2CCC1CC2 ZINC000071188569 176063438 /nfs/dbraw/zinc/06/34/38/176063438.db2.gz HUZJWCJKUJZUQF-UKRRQHHQSA-N 2 1 266.433 0.293 10 0 CCAEMP CN(C[C@@H]1CC[N@H+](C)C1)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000071188569 176063440 /nfs/dbraw/zinc/06/34/40/176063440.db2.gz HUZJWCJKUJZUQF-UKRRQHHQSA-N 3 1 266.433 0.293 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000071188569 176063441 /nfs/dbraw/zinc/06/34/41/176063441.db2.gz HUZJWCJKUJZUQF-UKRRQHHQSA-N 3 1 266.433 0.293 10 0 CCAEMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH3+])N1CCOCC1 ZINC000076678766 177057032 /nfs/dbraw/zinc/05/70/32/177057032.db2.gz BYWVAKYRSBUGPO-HNNXBMFYSA-N 2 1 263.385 0.778 10 0 CCAEMP C[N@H+](Cc1ccccc1)C[C@H](C[NH3+])N1CCOCC1 ZINC000076678766 177057034 /nfs/dbraw/zinc/05/70/34/177057034.db2.gz BYWVAKYRSBUGPO-HNNXBMFYSA-N 2 1 263.385 0.778 10 0 CCAEMP C(C[N@H+]1CC[C@H](N2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000089749474 544518640 /nfs/dbraw/zinc/51/86/40/544518640.db2.gz JIOSXNKMELROHI-KBPBESRZSA-N 2 1 253.390 0.393 10 0 CCAEMP CC1(OCC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[NH2+]C1 ZINC000098061729 544556322 /nfs/dbraw/zinc/55/63/22/544556322.db2.gz MXULQLGIDKZFMF-GFCCVEGCSA-N 2 1 267.373 0.062 10 0 CCAEMP NC(=O)c1c[nH+]ccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000184058179 544771911 /nfs/dbraw/zinc/77/19/11/544771911.db2.gz AVONNVCOYJAAMY-NSHDSACASA-N 2 1 278.356 0.439 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000227432434 544835137 /nfs/dbraw/zinc/83/51/37/544835137.db2.gz HNBFCYVOBBSNIN-RYUDHWBXSA-N 2 1 271.430 0.526 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246289181 544909179 /nfs/dbraw/zinc/90/91/79/544909179.db2.gz NDYLVUWULFIGSE-DGAVXFQQSA-N 2 1 283.416 0.417 10 0 CCAEMP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250200863 544922021 /nfs/dbraw/zinc/92/20/21/544922021.db2.gz BJRCVJBQMOESAL-SOUVJXGZSA-N 2 1 267.417 0.924 10 0 CCAEMP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000250379665 544923288 /nfs/dbraw/zinc/92/32/88/544923288.db2.gz LTHQXIRACFHRKW-KKUMJFAQSA-N 2 1 291.395 0.128 10 0 CCAEMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000250379665 544923292 /nfs/dbraw/zinc/92/32/92/544923292.db2.gz LTHQXIRACFHRKW-KKUMJFAQSA-N 2 1 291.395 0.128 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262080075 544939045 /nfs/dbraw/zinc/93/90/45/544939045.db2.gz DYJVGLNZGKGWCC-IWCQGFGOSA-N 2 1 289.423 0.677 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000311135161 545012637 /nfs/dbraw/zinc/01/26/37/545012637.db2.gz KGFYVJAGTTVYBE-MGPQQGTHSA-N 2 1 257.422 0.569 10 0 CCAEMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000335939214 277161590 /nfs/dbraw/zinc/16/15/90/277161590.db2.gz TZVPGAUEWCVVRF-STQMWFEESA-N 2 1 251.374 0.635 10 0 CCAEMP C[NH+]1CC[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000335939214 277161591 /nfs/dbraw/zinc/16/15/91/277161591.db2.gz TZVPGAUEWCVVRF-STQMWFEESA-N 2 1 251.374 0.635 10 0 CCAEMP C[NH+]1CC[C@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000335939214 277161592 /nfs/dbraw/zinc/16/15/92/277161592.db2.gz TZVPGAUEWCVVRF-STQMWFEESA-N 2 1 251.374 0.635 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccnn2C)CC1 ZINC000121136727 278395350 /nfs/dbraw/zinc/39/53/50/278395350.db2.gz UOHONJNCPANWEW-CYBMUJFWSA-N 2 1 280.416 0.945 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106386548 280207925 /nfs/dbraw/zinc/20/79/25/280207925.db2.gz JCLRFTQCRWNDAE-CVEARBPZSA-N 2 1 299.459 0.484 10 0 CCAEMP C[NH2+]CC1(C[N@H+]2CCCC[C@H]2CO)CCOCC1 ZINC000052197456 521969017 /nfs/dbraw/zinc/96/90/17/521969017.db2.gz YOWWXCPQYZJLIO-ZDUSSCGKSA-N 2 1 256.390 0.849 10 0 CCAEMP CC[N@H+](CC[C@@H]([NH2+]C(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000062458776 521154894 /nfs/dbraw/zinc/15/48/94/521154894.db2.gz ANYXLPASRDULRA-QWHCGFSZSA-N 2 1 271.405 0.729 10 0 CCAEMP CC[N@@H+](CC[C@@H]([NH2+]C(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000062458776 521154906 /nfs/dbraw/zinc/15/49/06/521154906.db2.gz ANYXLPASRDULRA-QWHCGFSZSA-N 2 1 271.405 0.729 10 0 CCAEMP CCC[N@H+](CCC[NH3+])CC(=O)NCC(F)(F)F ZINC000049309662 521652870 /nfs/dbraw/zinc/65/28/70/521652870.db2.gz OAVCVRATYOIJFU-UHFFFAOYSA-N 2 1 255.284 0.726 10 0 CCAEMP CCC[N@@H+](CCC[NH3+])CC(=O)NCC(F)(F)F ZINC000049309662 521652872 /nfs/dbraw/zinc/65/28/72/521652872.db2.gz OAVCVRATYOIJFU-UHFFFAOYSA-N 2 1 255.284 0.726 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@@H+](C)C2CCOCC2)nn1 ZINC000052481195 522143925 /nfs/dbraw/zinc/14/39/25/522143925.db2.gz WMJCUAOPNSRXMB-UHFFFAOYSA-N 2 1 253.350 0.108 10 0 CCAEMP COCC[N@H+](Cc1cc[nH+]c(NN)c1)[C@@H](C)COC ZINC000052721377 523769266 /nfs/dbraw/zinc/76/92/66/523769266.db2.gz OMDIVNNEVZNWHB-NSHDSACASA-N 2 1 268.361 0.851 10 0 CCAEMP COCC[N@@H+](Cc1cc[nH+]c(NN)c1)[C@@H](C)COC ZINC000052721377 523769270 /nfs/dbraw/zinc/76/92/70/523769270.db2.gz OMDIVNNEVZNWHB-NSHDSACASA-N 2 1 268.361 0.851 10 0 CCAEMP O=C(NC1CCC1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000052211052 527502657 /nfs/dbraw/zinc/50/26/57/527502657.db2.gz JVHPXAPJXUHWQH-CYBMUJFWSA-N 2 1 251.374 0.872 10 0 CCAEMP O=C(NC1CCC1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000052211052 527502662 /nfs/dbraw/zinc/50/26/62/527502662.db2.gz JVHPXAPJXUHWQH-CYBMUJFWSA-N 2 1 251.374 0.872 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262277719 536670420 /nfs/dbraw/zinc/67/04/20/536670420.db2.gz LHKBLRVJVGTEBW-QWHCGFSZSA-N 2 1 269.389 0.341 10 0 CCAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CCCOC1 ZINC000399212874 581208277 /nfs/dbraw/zinc/20/82/77/581208277.db2.gz YMMGBNBUFMRBMF-CHWSQXEVSA-N 2 1 256.390 0.848 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)CCCCC[NH3+])C[C@@H]1C ZINC000155678682 616358988 /nfs/dbraw/zinc/35/89/88/616358988.db2.gz KPDIZOTYEDMOBQ-ZDUSSCGKSA-N 2 1 271.405 0.685 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)CCCCC[NH3+])C[C@@H]1C ZINC000155678682 616358993 /nfs/dbraw/zinc/35/89/93/616358993.db2.gz KPDIZOTYEDMOBQ-ZDUSSCGKSA-N 2 1 271.405 0.685 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311251103 623683294 /nfs/dbraw/zinc/68/32/94/623683294.db2.gz FAMHNKYFGYCFEU-LSDHHAIUSA-N 2 1 269.433 0.859 10 0 CCAEMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000251155710 649805751 /nfs/dbraw/zinc/80/57/51/649805751.db2.gz KSSJJJNLNCRBEM-ZNMIVQPWSA-N 2 1 295.427 0.746 10 0 CCAEMP C[C@]1(c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)CC[NH2+]C1 ZINC000252559443 649828720 /nfs/dbraw/zinc/82/87/20/649828720.db2.gz VCYZMLPSDVYJDK-MJVIPROJSA-N 2 1 278.356 0.856 10 0 CCAEMP C[C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)CC[NH2+]C1 ZINC000252559443 649828721 /nfs/dbraw/zinc/82/87/21/649828721.db2.gz VCYZMLPSDVYJDK-MJVIPROJSA-N 2 1 278.356 0.856 10 0 CCAEMP C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105079951 349720456 /nfs/dbraw/zinc/72/04/56/349720456.db2.gz AJMUFULGZVULFK-CQSZACIVSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000117300324 349884570 /nfs/dbraw/zinc/88/45/70/349884570.db2.gz LUORLCDJLHQZDX-AWEZNQCLSA-N 2 1 285.432 0.897 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH+](CC)CC)CC[N@H+]1CCOC ZINC000117300324 349884571 /nfs/dbraw/zinc/88/45/71/349884571.db2.gz LUORLCDJLHQZDX-AWEZNQCLSA-N 2 1 285.432 0.897 10 0 CCAEMP C[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000117045942 349880871 /nfs/dbraw/zinc/88/08/71/349880871.db2.gz OGXVSHPBGKNLQB-TZMCWYRMSA-N 2 1 298.431 0.441 10 0 CCAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252560723 137003298 /nfs/dbraw/zinc/00/32/98/137003298.db2.gz VVZASTAGEPUBLE-QNWHQSFQSA-N 2 1 267.373 0.093 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000263161383 137059067 /nfs/dbraw/zinc/05/90/67/137059067.db2.gz DVTDDEFELQVIRP-UONOGXRCSA-N 2 1 276.384 0.352 10 0 CCAEMP C[C@@H]([NH3+])CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000261864624 137023191 /nfs/dbraw/zinc/02/31/91/137023191.db2.gz PYKNCWCKGXPRJV-VXGBXAGGSA-N 2 1 269.389 0.435 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000263243757 137061379 /nfs/dbraw/zinc/06/13/79/137061379.db2.gz OZDCKFBIYISWQS-YPMHNXCESA-N 2 1 290.392 0.875 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2COCCN2)C1 ZINC000263254443 137061567 /nfs/dbraw/zinc/06/15/67/137061567.db2.gz KJBDUVVUYHNZOE-HZSPNIEDSA-N 2 1 297.443 0.848 10 0 CCAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000263293589 137063144 /nfs/dbraw/zinc/06/31/44/137063144.db2.gz VZZGJZXJTGTJQK-AAEUAGOBSA-N 2 1 266.341 0.374 10 0 CCAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263301358 137063334 /nfs/dbraw/zinc/06/33/34/137063334.db2.gz NLZZJEBBLOVAND-PHIMTYICSA-N 2 1 269.389 0.210 10 0 CCAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263301358 137063335 /nfs/dbraw/zinc/06/33/35/137063335.db2.gz NLZZJEBBLOVAND-PHIMTYICSA-N 2 1 269.389 0.210 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2cccnc2)n1 ZINC000263217346 137060454 /nfs/dbraw/zinc/06/04/54/137060454.db2.gz LBUCOZCSCFGIIQ-TZMCWYRMSA-N 2 1 287.367 0.152 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000263222133 137060809 /nfs/dbraw/zinc/06/08/09/137060809.db2.gz MASYJJDPUFFVDN-JQWIXIFHSA-N 2 1 292.408 0.943 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCOC)C1 ZINC000171200643 350893573 /nfs/dbraw/zinc/89/35/73/350893573.db2.gz AUJMRRVDSRUFET-CYBMUJFWSA-N 2 1 286.420 0.348 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](C)CCOC)C1 ZINC000171200643 350893576 /nfs/dbraw/zinc/89/35/76/350893576.db2.gz AUJMRRVDSRUFET-CYBMUJFWSA-N 2 1 286.420 0.348 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCOC)C1 ZINC000171200643 350893579 /nfs/dbraw/zinc/89/35/79/350893579.db2.gz AUJMRRVDSRUFET-CYBMUJFWSA-N 2 1 286.420 0.348 10 0 CCAEMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)CC(C)C ZINC000236836124 352220915 /nfs/dbraw/zinc/22/09/15/352220915.db2.gz HHTOLVAXCMPDER-ZIAGYGMSSA-N 2 1 285.432 0.848 10 0 CCAEMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000246786188 352382926 /nfs/dbraw/zinc/38/29/26/352382926.db2.gz ACMXBNYVSNPNME-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000246786188 352382929 /nfs/dbraw/zinc/38/29/29/352382929.db2.gz ACMXBNYVSNPNME-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(C)C1=O ZINC000247140638 352401223 /nfs/dbraw/zinc/40/12/23/352401223.db2.gz SWCCYMIIMUBNBU-STQMWFEESA-N 2 1 262.357 0.887 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(C)C1=O ZINC000247140638 352401225 /nfs/dbraw/zinc/40/12/25/352401225.db2.gz SWCCYMIIMUBNBU-STQMWFEESA-N 2 1 262.357 0.887 10 0 CCAEMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000248950223 352468910 /nfs/dbraw/zinc/46/89/10/352468910.db2.gz AZVGDCPAJNFJPZ-AGIUHOORSA-N 2 1 283.416 0.681 10 0 CCAEMP C[C@@H]1C[N@H+](CCN2CC[NH+]3CCCC[C@H]3C2)CCO1 ZINC000249303273 352485935 /nfs/dbraw/zinc/48/59/35/352485935.db2.gz SPPFVBGOPXZSPD-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[N@@H+](CCN2CC[NH+]3CCCC[C@H]3C2)CCO1 ZINC000249303273 352485940 /nfs/dbraw/zinc/48/59/40/352485940.db2.gz SPPFVBGOPXZSPD-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[NH+](CCN2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000249303273 352485941 /nfs/dbraw/zinc/48/59/41/352485941.db2.gz SPPFVBGOPXZSPD-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[NH+](CCN2CC[N@H+]3CCCC[C@H]3C2)CCO1 ZINC000249303273 352485946 /nfs/dbraw/zinc/48/59/46/352485946.db2.gz SPPFVBGOPXZSPD-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000250641082 352507027 /nfs/dbraw/zinc/50/70/27/352507027.db2.gz TWKYXMIIAPCSGU-XQQFMLRXSA-N 2 1 251.374 0.539 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000252601344 352520018 /nfs/dbraw/zinc/52/00/18/352520018.db2.gz MHXNRLRSBODUSD-UPJWGTAASA-N 2 1 253.390 0.927 10 0 CCAEMP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299745113 354043617 /nfs/dbraw/zinc/04/36/17/354043617.db2.gz WGHVTQNTGHPYPH-OLZOCXBDSA-N 2 1 292.383 0.596 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H](O)C[NH+](C)CCOC ZINC000380790175 357706508 /nfs/dbraw/zinc/70/65/08/357706508.db2.gz IBOCGHJXEMANHJ-LSDHHAIUSA-N 2 1 287.448 0.342 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C[C@H](O)C[N@H+](C)CCOC ZINC000380790175 357706513 /nfs/dbraw/zinc/70/65/13/357706513.db2.gz IBOCGHJXEMANHJ-LSDHHAIUSA-N 2 1 287.448 0.342 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000380790175 357706518 /nfs/dbraw/zinc/70/65/18/357706518.db2.gz IBOCGHJXEMANHJ-LSDHHAIUSA-N 2 1 287.448 0.342 10 0 CCAEMP CCc1nnc(C[NH+]2CCC(C[NH2+]C)CC2)n1C ZINC000568884451 358715096 /nfs/dbraw/zinc/71/50/96/358715096.db2.gz KCLHXANTMFLADP-UHFFFAOYSA-N 2 1 251.378 0.809 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCS(N)(=O)=O ZINC000178308033 189104220 /nfs/dbraw/zinc/10/42/20/189104220.db2.gz BVPLUDJFUSBDIM-LBPRGKRZSA-N 2 1 286.401 0.335 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCS(N)(=O)=O ZINC000178308033 189104221 /nfs/dbraw/zinc/10/42/21/189104221.db2.gz BVPLUDJFUSBDIM-LBPRGKRZSA-N 2 1 286.401 0.335 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631838277 370704592 /nfs/dbraw/zinc/70/45/92/370704592.db2.gz LKWYZIFYKYYNIZ-AGIUHOORSA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631838277 370704594 /nfs/dbraw/zinc/70/45/94/370704594.db2.gz LKWYZIFYKYYNIZ-AGIUHOORSA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1C[NH3+] ZINC000631845167 370711906 /nfs/dbraw/zinc/71/19/06/370711906.db2.gz UYVBRFPIIHAAJO-QWHCGFSZSA-N 2 1 253.390 0.916 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1C[NH3+] ZINC000631845167 370711909 /nfs/dbraw/zinc/71/19/09/370711909.db2.gz UYVBRFPIIHAAJO-QWHCGFSZSA-N 2 1 253.390 0.916 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C ZINC000261787188 296182971 /nfs/dbraw/zinc/18/29/71/296182971.db2.gz PVOMOXOWJXZTOC-RFQIPJPRSA-N 2 1 283.416 0.417 10 0 CCAEMP C[NH+](C)[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000333262207 205163845 /nfs/dbraw/zinc/16/38/45/205163845.db2.gz FVKXEHRPJGDVGT-KBPBESRZSA-N 2 1 298.431 0.491 10 0 CCAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333437372 205320722 /nfs/dbraw/zinc/32/07/22/205320722.db2.gz VNZNRAPJOYHOTE-RDBSUJKOSA-N 2 1 298.431 0.225 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000638081161 374639340 /nfs/dbraw/zinc/63/93/40/374639340.db2.gz WCFABEWLBSZDID-UKRRQHHQSA-N 2 1 283.416 0.746 10 0 CCAEMP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334225138 206217660 /nfs/dbraw/zinc/21/76/60/206217660.db2.gz AUGACIPPQCVIAT-NEPJUHHUSA-N 2 1 254.378 0.426 10 0 CCAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000089457979 295271705 /nfs/dbraw/zinc/27/17/05/295271705.db2.gz FQPWSFKOKKFDIB-DGCLKSJQSA-N 2 1 251.374 0.668 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000335285043 285265974 /nfs/dbraw/zinc/26/59/74/285265974.db2.gz HZNXJSRMPNMECX-LBPRGKRZSA-N 2 1 254.378 0.476 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306764431 389090991 /nfs/dbraw/zinc/09/09/91/389090991.db2.gz HFSCMCUTLURADX-FVQBIDKESA-N 2 1 275.396 0.525 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000311945951 389105790 /nfs/dbraw/zinc/10/57/90/389105790.db2.gz KKRFWOMGETURPI-KFWWJZLASA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000311945951 389105793 /nfs/dbraw/zinc/10/57/93/389105793.db2.gz KKRFWOMGETURPI-KFWWJZLASA-N 2 1 269.433 0.858 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000263212666 389298267 /nfs/dbraw/zinc/29/82/67/389298267.db2.gz KLGCPLRMOPSDCK-HZMBPMFUSA-N 2 1 290.342 0.886 10 0 CCAEMP O=C([C@@H]1CCNCC1(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335120228 389538300 /nfs/dbraw/zinc/53/83/00/389538300.db2.gz VJQPSDGOVKDGEM-RYUDHWBXSA-N 2 1 287.354 0.928 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000388828612 397508167 /nfs/dbraw/zinc/50/81/67/397508167.db2.gz WXZUAJFAGYKWTB-ILXRZTDVSA-N 2 1 269.433 0.856 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000388828612 397508169 /nfs/dbraw/zinc/50/81/69/397508169.db2.gz WXZUAJFAGYKWTB-ILXRZTDVSA-N 2 1 269.433 0.856 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000388828612 397508172 /nfs/dbraw/zinc/50/81/72/397508172.db2.gz WXZUAJFAGYKWTB-ILXRZTDVSA-N 2 1 269.433 0.856 10 0 CCAEMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C(=O)NC(N)=O ZINC000020310227 171144098 /nfs/dbraw/zinc/14/40/98/171144098.db2.gz XWUJEDPSUNORDW-QWRGUYRKSA-N 2 1 270.377 0.424 10 0 CCAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(=O)NC(N)=O ZINC000020310227 171144099 /nfs/dbraw/zinc/14/40/99/171144099.db2.gz XWUJEDPSUNORDW-QWRGUYRKSA-N 2 1 270.377 0.424 10 0 CCAEMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000653112605 412223858 /nfs/dbraw/zinc/22/38/58/412223858.db2.gz CVXNRFQRQITCMG-NXEZZACHSA-N 2 1 279.306 0.595 10 0 CCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653110631 412224646 /nfs/dbraw/zinc/22/46/46/412224646.db2.gz PEQLLEBZZSSTEV-OPRDCNLKSA-N 2 1 279.306 0.452 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653113885 412225825 /nfs/dbraw/zinc/22/58/25/412225825.db2.gz QYUIBXCDSYIIDD-GMTAPVOTSA-N 2 1 293.333 0.842 10 0 CCAEMP COCCN(C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C1CC1 ZINC000038043324 174050189 /nfs/dbraw/zinc/05/01/89/174050189.db2.gz HPZTTZWLIYHEJW-OAHLLOKOSA-N 2 1 295.427 0.840 10 0 CCAEMP COCCN(C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1)C1CC1 ZINC000038043324 174050191 /nfs/dbraw/zinc/05/01/91/174050191.db2.gz HPZTTZWLIYHEJW-OAHLLOKOSA-N 2 1 295.427 0.840 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662593575 414731089 /nfs/dbraw/zinc/73/10/89/414731089.db2.gz PLBLPZHLGGNBLN-NWDGAFQWSA-N 2 1 253.390 0.833 10 0 CCAEMP CN(CC[NH2+]C1CCOCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192283 176074011 /nfs/dbraw/zinc/07/40/11/176074011.db2.gz WHDPEXXXXVLMLE-CYBMUJFWSA-N 2 1 255.406 0.639 10 0 CCAEMP CN(C)CC[N@H+]1CC[C@H](CCN2CC[NH2+]CC2)C1 ZINC000077608922 177285426 /nfs/dbraw/zinc/28/54/26/177285426.db2.gz WMWCKJQESDETRF-AWEZNQCLSA-N 2 1 254.422 0.165 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000136364146 544639106 /nfs/dbraw/zinc/63/91/06/544639106.db2.gz IPFWZTKWKRDOLD-WCQYABFASA-N 2 1 253.390 0.960 10 0 CCAEMP CC(C)[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)N1CC[NH+](C)CC1 ZINC000136424585 544639511 /nfs/dbraw/zinc/63/95/11/544639511.db2.gz UCIHOSYFJCJKRI-GJZGRUSLSA-N 2 1 298.475 0.748 10 0 CCAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C ZINC000178774526 544748274 /nfs/dbraw/zinc/74/82/74/544748274.db2.gz DQXNUOYJMHZURL-NWDGAFQWSA-N 2 1 269.389 0.171 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C ZINC000178774526 544748277 /nfs/dbraw/zinc/74/82/77/544748277.db2.gz DQXNUOYJMHZURL-NWDGAFQWSA-N 2 1 269.389 0.171 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250643839 544924052 /nfs/dbraw/zinc/92/40/52/544924052.db2.gz UOYRYBCWYNIUPI-AGIUHOORSA-N 2 1 253.390 0.819 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000252923693 544932013 /nfs/dbraw/zinc/93/20/13/544932013.db2.gz KEZFVPLMOIJJCS-STQMWFEESA-N 2 1 281.400 0.450 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000262098290 544938717 /nfs/dbraw/zinc/93/87/17/544938717.db2.gz IJGDZRNXYICHNA-GOEBONIOSA-N 2 1 291.395 0.193 10 0 CCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262080073 544939138 /nfs/dbraw/zinc/93/91/38/544939138.db2.gz DYJVGLNZGKGWCC-BSWAZPDLSA-N 2 1 289.423 0.677 10 0 CCAEMP c1cc(NC[C@@H]2C[NH2+]CCO2)nc(N2CCCCC2)[nH+]1 ZINC000333729678 545042555 /nfs/dbraw/zinc/04/25/55/545042555.db2.gz VWSKAXNVVRGJBL-LBPRGKRZSA-N 2 1 277.372 0.289 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H]1C ZINC000333898324 545044440 /nfs/dbraw/zinc/04/44/40/545044440.db2.gz ZLFOWHLUXYYOHX-ZOBORPQBSA-N 2 1 298.431 0.223 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322584732 545016360 /nfs/dbraw/zinc/01/63/60/545016360.db2.gz IMVARDWKVIWMJA-ZLOUSURVSA-N 2 1 267.373 0.105 10 0 CCAEMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000333625408 290229835 /nfs/dbraw/zinc/22/98/35/290229835.db2.gz FTLNDEMBGBRDRH-RYUDHWBXSA-N 2 1 266.389 0.603 10 0 CCAEMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)C[C@@H]2CCC[NH2+]2)cn1 ZINC000181410775 294300126 /nfs/dbraw/zinc/30/01/26/294300126.db2.gz NHWAPJMKDWFPAB-QWHCGFSZSA-N 2 1 277.372 0.035 10 0 CCAEMP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000227140485 298176298 /nfs/dbraw/zinc/17/62/98/298176298.db2.gz DSRIHCLZHIFHTH-UHTWSYAYSA-N 2 1 251.374 0.585 10 0 CCAEMP COCCC[N@@H+](CCOC)Cc1cc(C[NH3+])no1 ZINC000052543263 523255131 /nfs/dbraw/zinc/25/51/31/523255131.db2.gz CTYXWNQLWLPEPC-UHFFFAOYSA-N 2 1 257.334 0.618 10 0 CCAEMP C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NN)[nH+]c1 ZINC000051114584 523795115 /nfs/dbraw/zinc/79/51/15/523795115.db2.gz SSONEDJTCIWFPF-LLVKDONJSA-N 2 1 263.345 0.581 10 0 CCAEMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050945294 523958438 /nfs/dbraw/zinc/95/84/38/523958438.db2.gz SNKTVGRDSWPFMB-STQMWFEESA-N 2 1 253.390 0.977 10 0 CCAEMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CN1CCOCC1 ZINC000049504526 527430488 /nfs/dbraw/zinc/43/04/88/527430488.db2.gz ZDNNIBXSWHHUPU-GFCCVEGCSA-N 2 1 252.362 0.502 10 0 CCAEMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000049330283 527431711 /nfs/dbraw/zinc/43/17/11/527431711.db2.gz WKNIFFQVQOHUJA-NSHDSACASA-N 2 1 257.359 0.216 10 0 CCAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCOCC1 ZINC000398953091 581206215 /nfs/dbraw/zinc/20/62/15/581206215.db2.gz FRMDFGRZGUFWOO-GFCCVEGCSA-N 2 1 256.390 0.848 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000136483634 614225046 /nfs/dbraw/zinc/22/50/46/614225046.db2.gz CBXNJPMWCZEMMH-JHJVBQTASA-N 2 1 269.389 0.339 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900378410 614214465 /nfs/dbraw/zinc/21/44/65/614214465.db2.gz QUGJBPGQRAYGAF-VNHYZAJKSA-N 2 1 285.432 0.534 10 0 CCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000306064280 624593313 /nfs/dbraw/zinc/59/33/13/624593313.db2.gz XOWZYDGAIZZDBI-RWMBFGLXSA-N 2 1 256.390 0.846 10 0 CCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000306064280 624593323 /nfs/dbraw/zinc/59/33/23/624593323.db2.gz XOWZYDGAIZZDBI-RWMBFGLXSA-N 2 1 256.390 0.846 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCN1CC[NH2+]CC1 ZINC000094460802 349569092 /nfs/dbraw/zinc/56/90/92/349569092.db2.gz SYLQQODWZXHUHW-ZIAGYGMSSA-N 2 1 252.406 0.060 10 0 CCAEMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263116524 137058808 /nfs/dbraw/zinc/05/88/08/137058808.db2.gz APLMUPJUDYCRTE-ZIAGYGMSSA-N 2 1 278.400 0.596 10 0 CCAEMP C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261803855 137021137 /nfs/dbraw/zinc/02/11/37/137021137.db2.gz MUEXRRFZXZLTAR-BARDWOONSA-N 2 1 295.427 0.683 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000263185986 137059948 /nfs/dbraw/zinc/05/99/48/137059948.db2.gz HGTGHOUSRZPPKW-MWLCHTKSSA-N 2 1 278.381 0.808 10 0 CCAEMP CCCNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862067 186079840 /nfs/dbraw/zinc/07/98/40/186079840.db2.gz BJOPGMWRQYYEOV-CYBMUJFWSA-N 2 1 285.432 0.537 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)CCO1 ZINC000165903965 350793388 /nfs/dbraw/zinc/79/33/88/350793388.db2.gz NOARNQOZQOVVRA-MCIONIFRSA-N 2 1 295.427 0.826 10 0 CCAEMP C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CC12CCOCC2 ZINC000169792436 350840192 /nfs/dbraw/zinc/84/01/92/350840192.db2.gz NMQBMABRPZTPPP-GFCCVEGCSA-N 2 1 269.389 0.023 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000178746575 351243461 /nfs/dbraw/zinc/24/34/61/351243461.db2.gz PDCSPAWHKPFYJL-LBPRGKRZSA-N 2 1 291.355 0.208 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000178746575 351243465 /nfs/dbraw/zinc/24/34/65/351243465.db2.gz PDCSPAWHKPFYJL-LBPRGKRZSA-N 2 1 291.355 0.208 10 0 CCAEMP CSCC[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747132 351244608 /nfs/dbraw/zinc/24/46/08/351244608.db2.gz MLYCLJSIERIDBC-LBPRGKRZSA-N 2 1 271.430 0.764 10 0 CCAEMP [NH3+]C1(C(=O)N2CCC[N@H+](C3CC3)CC2)CCCC1 ZINC000178747395 351245055 /nfs/dbraw/zinc/24/50/55/351245055.db2.gz FFZNJVJMWZFJQV-UHFFFAOYSA-N 2 1 251.374 0.955 10 0 CCAEMP C[NH2+]CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000193135603 351813456 /nfs/dbraw/zinc/81/34/56/351813456.db2.gz HZTYSHCBMACSKK-UHFFFAOYSA-N 2 1 250.346 0.421 10 0 CCAEMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000236713736 352207256 /nfs/dbraw/zinc/20/72/56/352207256.db2.gz IHMQGNUWNIRULM-HNNXBMFYSA-N 2 1 297.443 0.849 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)C(F)(F)F)CC1 ZINC000248584315 352446597 /nfs/dbraw/zinc/44/65/97/352446597.db2.gz PNRFODHIORXHFT-CMPLNLGQSA-N 2 1 298.349 0.934 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250633645 352507164 /nfs/dbraw/zinc/50/71/64/352507164.db2.gz RPDZOMYCTPPDOJ-CHWSQXEVSA-N 2 1 253.390 0.834 10 0 CCAEMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333481135 354760220 /nfs/dbraw/zinc/76/02/20/354760220.db2.gz CCLKWYZRJASBFW-HZSPNIEDSA-N 2 1 298.431 0.225 10 0 CCAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333669559 354773463 /nfs/dbraw/zinc/77/34/63/354773463.db2.gz YCXGCJQKTUSQQE-RDBSUJKOSA-N 2 1 298.431 0.081 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000333676005 354774065 /nfs/dbraw/zinc/77/40/65/354774065.db2.gz NYDJXOJTMYOLHO-UONOGXRCSA-N 2 1 298.431 0.491 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000333676005 354774069 /nfs/dbraw/zinc/77/40/69/354774069.db2.gz NYDJXOJTMYOLHO-UONOGXRCSA-N 2 1 298.431 0.491 10 0 CCAEMP COCCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178320601 189106592 /nfs/dbraw/zinc/10/65/92/189106592.db2.gz OUSAPWYGUDTVCH-AWEZNQCLSA-N 2 1 294.399 0.809 10 0 CCAEMP COCCCNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178320601 189106593 /nfs/dbraw/zinc/10/65/93/189106593.db2.gz OUSAPWYGUDTVCH-AWEZNQCLSA-N 2 1 294.399 0.809 10 0 CCAEMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842648 370707161 /nfs/dbraw/zinc/70/71/61/370707161.db2.gz DDLAQXOWFBPNAB-UTUOFQBUSA-N 2 1 253.390 0.960 10 0 CCAEMP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842648 370707167 /nfs/dbraw/zinc/70/71/67/370707167.db2.gz DDLAQXOWFBPNAB-UTUOFQBUSA-N 2 1 253.390 0.960 10 0 CCAEMP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000334128651 206038004 /nfs/dbraw/zinc/03/80/04/206038004.db2.gz RPGXSIDGZKPJPI-CHWSQXEVSA-N 2 1 291.399 0.839 10 0 CCAEMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000334128651 206038009 /nfs/dbraw/zinc/03/80/09/206038009.db2.gz RPGXSIDGZKPJPI-CHWSQXEVSA-N 2 1 291.399 0.839 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000638087318 374647345 /nfs/dbraw/zinc/64/73/45/374647345.db2.gz QRRIXUYGMSEJIA-YDHLFZDLSA-N 2 1 281.400 0.450 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000638087318 374647351 /nfs/dbraw/zinc/64/73/51/374647351.db2.gz QRRIXUYGMSEJIA-YDHLFZDLSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638107408 374674108 /nfs/dbraw/zinc/67/41/08/374674108.db2.gz FHGUNQHESBVDII-CHWSQXEVSA-N 2 1 251.374 0.977 10 0 CCAEMP [NH3+]C[C@@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCOC1 ZINC000638109374 374675585 /nfs/dbraw/zinc/67/55/85/374675585.db2.gz ULRMUVAQXUZEGB-OCCSQVGLSA-N 2 1 267.373 0.049 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC000185230224 388795027 /nfs/dbraw/zinc/79/50/27/388795027.db2.gz VYCFNGGXOAILPU-QWHCGFSZSA-N 2 1 298.431 0.177 10 0 CCAEMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000313114007 389110773 /nfs/dbraw/zinc/11/07/73/389110773.db2.gz OOJXXSJUTAOCEP-LSDHHAIUSA-N 2 1 285.432 0.096 10 0 CCAEMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000313114007 389110776 /nfs/dbraw/zinc/11/07/76/389110776.db2.gz OOJXXSJUTAOCEP-LSDHHAIUSA-N 2 1 285.432 0.096 10 0 CCAEMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000313114007 389110779 /nfs/dbraw/zinc/11/07/79/389110779.db2.gz OOJXXSJUTAOCEP-LSDHHAIUSA-N 2 1 285.432 0.096 10 0 CCAEMP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000222904086 389142537 /nfs/dbraw/zinc/14/25/37/389142537.db2.gz TWQVPBSWQIWIIO-UONOGXRCSA-N 2 1 255.406 0.766 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251428479 389262746 /nfs/dbraw/zinc/26/27/46/389262746.db2.gz TXLJWMOFVZQARW-STQMWFEESA-N 2 1 251.374 0.683 10 0 CCAEMP CCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262603216 389289574 /nfs/dbraw/zinc/28/95/74/389289574.db2.gz ZIHBLFWPFLIFFA-QWHCGFSZSA-N 2 1 271.405 0.467 10 0 CCAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263227182 389299141 /nfs/dbraw/zinc/29/91/41/389299141.db2.gz MZDRAEMZGUFNSL-NWDGAFQWSA-N 2 1 266.341 0.374 10 0 CCAEMP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000334155720 389457840 /nfs/dbraw/zinc/45/78/40/389457840.db2.gz WDKXUJYADDMCEP-NXEZZACHSA-N 2 1 261.316 0.571 10 0 CCAEMP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000178860830 389625582 /nfs/dbraw/zinc/62/55/82/389625582.db2.gz YQWTXIKPGLNNDX-VXGBXAGGSA-N 2 1 269.389 0.293 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000649286162 390551190 /nfs/dbraw/zinc/55/11/90/390551190.db2.gz YFVLAACKZJFRKH-CQSZACIVSA-N 2 1 269.389 0.308 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649298055 390557380 /nfs/dbraw/zinc/55/73/80/390557380.db2.gz NDJHTNVYMLAUNQ-OCCSQVGLSA-N 2 1 269.389 0.213 10 0 CCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CC2CC(O)C2)CC1 ZINC000190185191 130071665 /nfs/dbraw/zinc/07/16/65/130071665.db2.gz PQCPBRCCHMTRQE-UHFFFAOYSA-N 2 1 297.443 0.678 10 0 CCAEMP C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000300408875 411743134 /nfs/dbraw/zinc/74/31/34/411743134.db2.gz DEKSNLSHDPMSTP-MDZLAQPJSA-N 2 1 253.390 0.960 10 0 CCAEMP C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328645292 411759755 /nfs/dbraw/zinc/75/97/55/411759755.db2.gz ZNZCWHORRMNVQG-NWDGAFQWSA-N 2 1 277.372 0.840 10 0 CCAEMP C[C@H]1CCC[N@H+]1CC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328645292 411759761 /nfs/dbraw/zinc/75/97/61/411759761.db2.gz ZNZCWHORRMNVQG-NWDGAFQWSA-N 2 1 277.372 0.840 10 0 CCAEMP OCC[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000398957890 411775492 /nfs/dbraw/zinc/77/54/92/411775492.db2.gz JVOTZDLEFOVMBA-UHFFFAOYSA-N 2 1 256.390 0.849 10 0 CCAEMP [NH3+]C[C@@H](c1ccccc1Cl)N1CC[NH+](CCO)CC1 ZINC000020225897 171089929 /nfs/dbraw/zinc/08/99/29/171089929.db2.gz HMUWRUGGNVPAFY-AWEZNQCLSA-N 2 1 283.803 0.950 10 0 CCAEMP C[C@H](C[NH2+][C@H]1CC(=O)N(C2CC2)C1=O)C[NH+]1CCCCC1 ZINC000038042095 174044495 /nfs/dbraw/zinc/04/44/95/174044495.db2.gz OSEIDWRYLSLXIH-OCCSQVGLSA-N 2 1 293.411 0.988 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264519 414702324 /nfs/dbraw/zinc/70/23/24/414702324.db2.gz SGJRNJPMOYHUGF-HZSPNIEDSA-N 2 1 265.401 0.676 10 0 CCAEMP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1N(C)C ZINC000662278338 414705004 /nfs/dbraw/zinc/70/50/04/414705004.db2.gz FZFMIRZFZAUATH-AGIUHOORSA-N 2 1 253.390 0.389 10 0 CCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1N(C)C ZINC000662278338 414705005 /nfs/dbraw/zinc/70/50/05/414705005.db2.gz FZFMIRZFZAUATH-AGIUHOORSA-N 2 1 253.390 0.389 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662738614 414751355 /nfs/dbraw/zinc/75/13/55/414751355.db2.gz YIXFSTLARDNONW-CYDGBPFRSA-N 2 1 251.374 0.809 10 0 CCAEMP FC1(F)C[NH2+][C@H](CNc2ccnn2C2C[NH2+]C2)C1 ZINC000725260474 545882163 /nfs/dbraw/zinc/88/21/63/545882163.db2.gz TYGFBONBRAJLHH-QMMMGPOBSA-N 2 1 257.288 0.437 10 0 CCAEMP O=C(CCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171810616 335081160 /nfs/dbraw/zinc/08/11/60/335081160.db2.gz IRDRTXLFRIKWRJ-HNNXBMFYSA-N 2 1 295.427 0.796 10 0 CCAEMP O=C(CCCC[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171810616 335081162 /nfs/dbraw/zinc/08/11/62/335081162.db2.gz IRDRTXLFRIKWRJ-HNNXBMFYSA-N 2 1 295.427 0.796 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000089456811 544513725 /nfs/dbraw/zinc/51/37/25/544513725.db2.gz JQJGWLRIWRXTBM-YNEHKIRRSA-N 2 1 251.374 0.668 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000136424612 544638685 /nfs/dbraw/zinc/63/86/85/544638685.db2.gz UCIHOSYFJCJKRI-HUUCEWRRSA-N 2 1 298.475 0.748 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000136375684 544639412 /nfs/dbraw/zinc/63/94/12/544639412.db2.gz OBACBFAMZHAIKC-ZIAGYGMSSA-N 2 1 283.416 0.683 10 0 CCAEMP C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000227644641 544836322 /nfs/dbraw/zinc/83/63/22/544836322.db2.gz JIOSXNKMELROHI-UONOGXRCSA-N 2 1 253.390 0.393 10 0 CCAEMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)o1 ZINC000262130935 544940869 /nfs/dbraw/zinc/94/08/69/544940869.db2.gz NYJCTZBDTGTILG-CMPLNLGQSA-N 2 1 276.340 0.648 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000333842522 545043708 /nfs/dbraw/zinc/04/37/08/545043708.db2.gz ONRCNYXPUCODSZ-YNEHKIRRSA-N 2 1 291.399 0.885 10 0 CCAEMP CC(=O)N1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000334318306 278041532 /nfs/dbraw/zinc/04/15/32/278041532.db2.gz WGASQBMEKSPMST-CYBMUJFWSA-N 2 1 253.390 0.929 10 0 CCAEMP CC(=O)N1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000334318306 278041533 /nfs/dbraw/zinc/04/15/33/278041533.db2.gz WGASQBMEKSPMST-CYBMUJFWSA-N 2 1 253.390 0.929 10 0 CCAEMP C[C@@H]([NH3+])CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000261797414 278305310 /nfs/dbraw/zinc/30/53/10/278305310.db2.gz KVBVDQBDMSBXRJ-HIFRSBDPSA-N 2 1 291.395 0.602 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699987 288121644 /nfs/dbraw/zinc/12/16/44/288121644.db2.gz FKOQLQPBKQNJTR-OXHZDVMGSA-N 2 1 265.401 0.960 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000333394483 288128033 /nfs/dbraw/zinc/12/80/33/288128033.db2.gz PERNYEFLTNGHDV-KGYLQXTDSA-N 2 1 266.389 0.602 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000336811821 288313844 /nfs/dbraw/zinc/31/38/44/288313844.db2.gz OPUWDWQQSVHQNH-VHDGCEQUSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336811821 288313846 /nfs/dbraw/zinc/31/38/46/288313846.db2.gz OPUWDWQQSVHQNH-VHDGCEQUSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336811821 288313847 /nfs/dbraw/zinc/31/38/47/288313847.db2.gz OPUWDWQQSVHQNH-VHDGCEQUSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C1C[NH2+]C1 ZINC000262379361 289252874 /nfs/dbraw/zinc/25/28/74/289252874.db2.gz MUEJCRSWOJXPBU-RYUDHWBXSA-N 2 1 253.390 0.642 10 0 CCAEMP CCC[NH2+]Cc1cn(CC[N@@H+](CC)CCOC)nn1 ZINC000052542721 519961402 /nfs/dbraw/zinc/96/14/02/519961402.db2.gz AAHXWLSOHXDZNL-UHFFFAOYSA-N 2 1 269.393 0.746 10 0 CCAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CCCN(C(C)=O)CC1 ZINC000062741165 520306286 /nfs/dbraw/zinc/30/62/86/520306286.db2.gz JRYLWRMIKGVDFB-CYBMUJFWSA-N 2 1 257.378 0.295 10 0 CCAEMP C[NH2+][C@@H](CC[N@@H+]1CC[C@H](c2ccccc2)C1)C(N)=O ZINC000062530895 522346792 /nfs/dbraw/zinc/34/67/92/522346792.db2.gz DPZUNAWRLCXWHX-KBPBESRZSA-N 2 1 261.369 0.939 10 0 CCAEMP C[NH2+][C@@H](CC[N@H+]1CC[C@H](c2ccccc2)C1)C(N)=O ZINC000062530895 522346804 /nfs/dbraw/zinc/34/68/04/522346804.db2.gz DPZUNAWRLCXWHX-KBPBESRZSA-N 2 1 261.369 0.939 10 0 CCAEMP COCC[N@@H+](C)CCN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000061379292 523584188 /nfs/dbraw/zinc/58/41/88/523584188.db2.gz ZWHNFYCYKQPBDQ-CYBMUJFWSA-N 2 1 255.406 0.639 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000061401432 523596919 /nfs/dbraw/zinc/59/69/19/523596919.db2.gz HAUHXUPPVQWKJJ-FRRDWIJNSA-N 2 1 271.405 0.444 10 0 CCAEMP [NH3+]CC1(N2CCC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000062940224 527163587 /nfs/dbraw/zinc/16/35/87/527163587.db2.gz VFMBMJSWHIPGOO-ZDUSSCGKSA-N 2 1 253.390 0.664 10 0 CCAEMP COCCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263313379 536732281 /nfs/dbraw/zinc/73/22/81/536732281.db2.gz ZCHZSJPPPURUNK-KBPBESRZSA-N 2 1 280.368 0.382 10 0 CCAEMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)C2 ZINC000888097893 614282227 /nfs/dbraw/zinc/28/22/27/614282227.db2.gz SEXNDHUWLRFQFH-TUVASFSCSA-N 2 1 293.415 0.384 10 0 CCAEMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)C2 ZINC000888097893 614282230 /nfs/dbraw/zinc/28/22/30/614282230.db2.gz SEXNDHUWLRFQFH-TUVASFSCSA-N 2 1 293.415 0.384 10 0 CCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000306064277 624593382 /nfs/dbraw/zinc/59/33/82/624593382.db2.gz XOWZYDGAIZZDBI-JHJVBQTASA-N 2 1 256.390 0.846 10 0 CCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000306064277 624593392 /nfs/dbraw/zinc/59/33/92/624593392.db2.gz XOWZYDGAIZZDBI-JHJVBQTASA-N 2 1 256.390 0.846 10 0 CCAEMP CCCCOC[C@@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333536 625770256 /nfs/dbraw/zinc/77/02/56/625770256.db2.gz FIAHQOGMSAMGCS-QWHCGFSZSA-N 2 1 260.378 0.214 10 0 CCAEMP CCCCOC[C@@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333536 625770265 /nfs/dbraw/zinc/77/02/65/625770265.db2.gz FIAHQOGMSAMGCS-QWHCGFSZSA-N 2 1 260.378 0.214 10 0 CCAEMP Cc1nnc2c(NCC[NH+]3CCC([NH3+])CC3)nccn12 ZINC000322060131 633135206 /nfs/dbraw/zinc/13/52/06/633135206.db2.gz CCXBVUDEAQGGMZ-UHFFFAOYSA-N 2 1 275.360 0.268 10 0 CCAEMP [NH3+]C1CCC(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667910 649708489 /nfs/dbraw/zinc/70/84/89/649708489.db2.gz PYLYXKNEUBUWOD-PQAZSJQKSA-N 2 1 281.400 0.483 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000251272981 649808627 /nfs/dbraw/zinc/80/86/27/649808627.db2.gz CBXNJPMWCZEMMH-YNEHKIRRSA-N 2 1 269.389 0.339 10 0 CCAEMP C[C@H]([NH3+])CCc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000252557426 649828155 /nfs/dbraw/zinc/82/81/55/649828155.db2.gz UEIPOTQSUQYLKA-DCAQKATOSA-N 2 1 266.345 0.885 10 0 CCAEMP C[C@H]([NH3+])CCc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000252557426 649828157 /nfs/dbraw/zinc/82/81/57/649828157.db2.gz UEIPOTQSUQYLKA-DCAQKATOSA-N 2 1 266.345 0.885 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252651476 649830762 /nfs/dbraw/zinc/83/07/62/649830762.db2.gz OLQHRMIRGOADRA-CRWXNKLISA-N 2 1 281.400 0.354 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668573 349472038 /nfs/dbraw/zinc/47/20/38/349472038.db2.gz PLNVCFGANSMPCK-UTUOFQBUSA-N 2 1 255.362 0.093 10 0 CCAEMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000093342608 349538947 /nfs/dbraw/zinc/53/89/47/349538947.db2.gz TYXXNECPYLTMOG-WFASDCNBSA-N 2 1 295.427 0.432 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC000117470117 349886723 /nfs/dbraw/zinc/88/67/23/349886723.db2.gz PEQUEUCFQHOCEH-ZDUSSCGKSA-N 2 1 298.431 0.443 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC000117470117 349886724 /nfs/dbraw/zinc/88/67/24/349886724.db2.gz PEQUEUCFQHOCEH-ZDUSSCGKSA-N 2 1 298.431 0.443 10 0 CCAEMP C[C@H]1C[C@@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC[NH2+]1 ZINC000262333592 137038967 /nfs/dbraw/zinc/03/89/67/137038967.db2.gz FFRWHEROVNURFX-SOUVJXGZSA-N 2 1 297.443 0.728 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129800297 350223161 /nfs/dbraw/zinc/22/31/61/350223161.db2.gz LEEWSSXYKJKVDH-AWEZNQCLSA-N 2 1 296.459 0.613 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C3CC3)CC2)C1 ZINC000105174510 186045046 /nfs/dbraw/zinc/04/50/46/186045046.db2.gz WQMXINBNXAMMCI-CYBMUJFWSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000105174510 186045048 /nfs/dbraw/zinc/04/50/48/186045048.db2.gz WQMXINBNXAMMCI-CYBMUJFWSA-N 2 1 280.416 0.960 10 0 CCAEMP CCC[C@@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000162127527 350736936 /nfs/dbraw/zinc/73/69/36/350736936.db2.gz NGBOPJWMLRRZNI-GJZGRUSLSA-N 2 1 298.475 0.716 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc[nH]2)CC1 ZINC000171929630 350944834 /nfs/dbraw/zinc/94/48/34/350944834.db2.gz KJVLUAZFMMJXIG-LBPRGKRZSA-N 2 1 266.389 0.934 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc[nH]2)CC1 ZINC000171929630 350944838 /nfs/dbraw/zinc/94/48/38/350944838.db2.gz KJVLUAZFMMJXIG-LBPRGKRZSA-N 2 1 266.389 0.934 10 0 CCAEMP C(CN1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000173652299 351048901 /nfs/dbraw/zinc/04/89/01/351048901.db2.gz HEFQSYHIYLCIDQ-CQSZACIVSA-N 2 1 253.390 0.489 10 0 CCAEMP C(CN1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000173652299 351048904 /nfs/dbraw/zinc/04/89/04/351048904.db2.gz HEFQSYHIYLCIDQ-CQSZACIVSA-N 2 1 253.390 0.489 10 0 CCAEMP CC[NH+](CC)CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000181371776 351314300 /nfs/dbraw/zinc/31/43/00/351314300.db2.gz GVXJJLSBJIVTJW-HNNXBMFYSA-N 2 1 296.459 0.567 10 0 CCAEMP C[N@H+]1C[C@@H]2C[NH+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193609057 351834904 /nfs/dbraw/zinc/83/49/04/351834904.db2.gz UGTVWOFLJJVPCO-TXEJJXNPSA-N 2 1 294.399 0.200 10 0 CCAEMP C[N@@H+]1C[C@@H]2C[NH+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193609057 351834907 /nfs/dbraw/zinc/83/49/07/351834907.db2.gz UGTVWOFLJJVPCO-TXEJJXNPSA-N 2 1 294.399 0.200 10 0 CCAEMP C[NH+]1C[C@@H]2C[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193609057 351834911 /nfs/dbraw/zinc/83/49/11/351834911.db2.gz UGTVWOFLJJVPCO-TXEJJXNPSA-N 2 1 294.399 0.200 10 0 CCAEMP C[NH+]1C[C@@H]2C[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193609057 351834915 /nfs/dbraw/zinc/83/49/15/351834915.db2.gz UGTVWOFLJJVPCO-TXEJJXNPSA-N 2 1 294.399 0.200 10 0 CCAEMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335236791 354992141 /nfs/dbraw/zinc/99/21/41/354992141.db2.gz HQJCTPIKZJXJIH-GFCCVEGCSA-N 2 1 266.389 0.570 10 0 CCAEMP Brc1cnn(CCC[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000336719171 355149507 /nfs/dbraw/zinc/14/95/07/355149507.db2.gz YXPHLSSARGGMJG-JTQLQIEISA-N 2 1 273.178 0.987 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1C[NH3+] ZINC000631845166 370713453 /nfs/dbraw/zinc/71/34/53/370713453.db2.gz UYVBRFPIIHAAJO-OLZOCXBDSA-N 2 1 253.390 0.916 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1C[NH3+] ZINC000631845166 370713459 /nfs/dbraw/zinc/71/34/59/370713459.db2.gz UYVBRFPIIHAAJO-OLZOCXBDSA-N 2 1 253.390 0.916 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCN[C@H](CC[NH3+])C1 ZINC000616633494 365391165 /nfs/dbraw/zinc/39/11/65/365391165.db2.gz BILKLVGJZUENPF-LLVKDONJSA-N 2 1 272.393 0.134 10 0 CCAEMP CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](CC[NH3+])C1 ZINC000616633494 365391171 /nfs/dbraw/zinc/39/11/71/365391171.db2.gz BILKLVGJZUENPF-LLVKDONJSA-N 2 1 272.393 0.134 10 0 CCAEMP CO[C@@H]1CN(CCC[NH+]2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630362917 370064498 /nfs/dbraw/zinc/06/44/98/370064498.db2.gz BXWYLEBKSJRCAP-KBPBESRZSA-N 2 1 271.405 0.147 10 0 CCAEMP CO[C@H]1CN(CCC[NH+]2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630362937 370064584 /nfs/dbraw/zinc/06/45/84/370064584.db2.gz BXWYLEBKSJRCAP-ZIAGYGMSSA-N 2 1 271.405 0.147 10 0 CCAEMP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000333358163 205250039 /nfs/dbraw/zinc/25/00/39/205250039.db2.gz KRTIULIMRXNWEZ-NWDGAFQWSA-N 2 1 268.405 0.910 10 0 CCAEMP CCc1nc(NC[C@@H]2C[NH2+]CCCO2)cc(C)[nH+]1 ZINC000333497686 205376718 /nfs/dbraw/zinc/37/67/18/205376718.db2.gz CDJMPGOPEJGQPH-NSHDSACASA-N 2 1 250.346 0.560 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc(C[NH3+])nc1 ZINC000638108726 374675238 /nfs/dbraw/zinc/67/52/38/374675238.db2.gz NVMPDSGNYLRBDQ-GFCCVEGCSA-N 2 1 277.372 0.492 10 0 CCAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638727489 375324032 /nfs/dbraw/zinc/32/40/32/375324032.db2.gz INWMHLHRYVKGPT-IVZWLZJFSA-N 2 1 279.306 0.595 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000335286176 208106430 /nfs/dbraw/zinc/10/64/30/208106430.db2.gz WNSZCEPBQCZODR-HIFRSBDPSA-N 2 1 280.416 0.866 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000248654708 285073443 /nfs/dbraw/zinc/07/34/43/285073443.db2.gz VYCFNGGXOAILPU-OLZOCXBDSA-N 2 1 298.431 0.177 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(CC)CC[NH2+]C2)C1 ZINC000062898893 285268202 /nfs/dbraw/zinc/26/82/02/285268202.db2.gz JMYSRIUPPUGGLZ-JSGCOSHPSA-N 2 1 253.390 0.977 10 0 CCAEMP C[C@H]1CN(CCN2CC[N@H+]3CCCC[C@@H]3C2)CCO1 ZINC000192770074 389051601 /nfs/dbraw/zinc/05/16/01/389051601.db2.gz SPPFVBGOPXZSPD-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1C[N@H+](CCN2CC[NH+]3CCCC[C@@H]3C2)CCO1 ZINC000192770074 389051605 /nfs/dbraw/zinc/05/16/05/389051605.db2.gz SPPFVBGOPXZSPD-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1C[N@@H+](CCN2CC[NH+]3CCCC[C@@H]3C2)CCO1 ZINC000192770074 389051610 /nfs/dbraw/zinc/05/16/10/389051610.db2.gz SPPFVBGOPXZSPD-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1C[NH+](CCN2CC[N@H+]3CCCC[C@@H]3C2)CCO1 ZINC000192770074 389051617 /nfs/dbraw/zinc/05/16/17/389051617.db2.gz SPPFVBGOPXZSPD-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP Cn1ncc2c1ncnc2NC[C@@H]1C[N@@H+](C)CCO1 ZINC000112012748 389116764 /nfs/dbraw/zinc/11/67/64/389116764.db2.gz DQZQNVHAGRTEOK-SECBINFHSA-N 2 1 262.317 0.106 10 0 CCAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000324483755 389126295 /nfs/dbraw/zinc/12/62/95/389126295.db2.gz JPWNJZWTLSYFKX-OLZOCXBDSA-N 2 1 258.406 0.830 10 0 CCAEMP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000245200323 389204668 /nfs/dbraw/zinc/20/46/68/389204668.db2.gz ADPBAZKQAYOHHI-UONOGXRCSA-N 2 1 282.432 0.223 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000245200323 389204672 /nfs/dbraw/zinc/20/46/72/389204672.db2.gz ADPBAZKQAYOHHI-UONOGXRCSA-N 2 1 282.432 0.223 10 0 CCAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000333425409 389412589 /nfs/dbraw/zinc/41/25/89/389412589.db2.gz TWMWBZDLSSQRAZ-RSLMWUCJSA-N 2 1 266.389 0.458 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333938885 389450551 /nfs/dbraw/zinc/45/05/51/389450551.db2.gz MWEFUTCVLURYAO-RNJOBUHISA-N 2 1 266.389 0.459 10 0 CCAEMP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000334128652 389456453 /nfs/dbraw/zinc/45/64/53/389456453.db2.gz RPGXSIDGZKPJPI-OLZOCXBDSA-N 2 1 291.399 0.839 10 0 CCAEMP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000334128652 389456457 /nfs/dbraw/zinc/45/64/57/389456457.db2.gz RPGXSIDGZKPJPI-OLZOCXBDSA-N 2 1 291.399 0.839 10 0 CCAEMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000649323362 390580773 /nfs/dbraw/zinc/58/07/73/390580773.db2.gz YDHSBXCUCXNQID-GFCCVEGCSA-N 2 1 269.389 0.213 10 0 CCAEMP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649298099 390557788 /nfs/dbraw/zinc/55/77/88/390557788.db2.gz QNSLYKSRAGPNCR-IUODEOHRSA-N 2 1 281.400 0.356 10 0 CCAEMP COCCC1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000649298069 390557824 /nfs/dbraw/zinc/55/78/24/390557824.db2.gz NURPKSHZEWWALF-CYBMUJFWSA-N 2 1 283.416 0.461 10 0 CCAEMP COCCC1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000649304935 390565622 /nfs/dbraw/zinc/56/56/22/390565622.db2.gz NVLXEAOGJTYRKZ-ZDUSSCGKSA-N 2 1 283.416 0.603 10 0 CCAEMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(O)CC1 ZINC000022167173 171366112 /nfs/dbraw/zinc/36/61/12/171366112.db2.gz DQAYHNZMSPXLQI-NSHDSACASA-N 2 1 277.368 0.929 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662845076 414836074 /nfs/dbraw/zinc/83/60/74/414836074.db2.gz DGUBDCPMYZFZPQ-QWHCGFSZSA-N 2 1 283.416 0.459 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000071193294 176075441 /nfs/dbraw/zinc/07/54/41/176075441.db2.gz FNDDEJMEUOFGBJ-UPJWGTAASA-N 2 1 253.390 0.914 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000054307689 544443213 /nfs/dbraw/zinc/44/32/13/544443213.db2.gz UAVAWCXYCGNEGS-HUUCEWRRSA-N 2 1 295.427 0.699 10 0 CCAEMP C(CN1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000094439567 544544678 /nfs/dbraw/zinc/54/46/78/544544678.db2.gz DUNHQFDIXLDBLY-AWEZNQCLSA-N 2 1 252.406 0.062 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1C ZINC000246216200 544908661 /nfs/dbraw/zinc/90/86/61/544908661.db2.gz GFTOBRXBMIBOPG-MNOVXSKESA-N 2 1 257.378 0.027 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250219613 544922304 /nfs/dbraw/zinc/92/23/04/544922304.db2.gz DPVLBWQAXFMRDX-AGIUHOORSA-N 2 1 253.390 0.962 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250366415 544922319 /nfs/dbraw/zinc/92/23/19/544922319.db2.gz UWWHZTLXSDMCNI-FRRDWIJNSA-N 2 1 253.390 0.819 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)COCC[NH3+] ZINC000251867551 544928478 /nfs/dbraw/zinc/92/84/78/544928478.db2.gz SZUUGBDLRCMPMS-RYUDHWBXSA-N 2 1 255.362 0.047 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000262153492 544941576 /nfs/dbraw/zinc/94/15/76/544941576.db2.gz RPCJABJRNZEKNC-GHMZBOCLSA-N 2 1 272.295 0.958 10 0 CCAEMP Cn1cc([C@@H]2CCC[N@@H+]2C[C@H]2CNCCO2)cn1 ZINC000311129854 545012349 /nfs/dbraw/zinc/01/23/49/545012349.db2.gz WHNCHXXKGOKQQQ-OLZOCXBDSA-N 2 1 250.346 0.545 10 0 CCAEMP Cn1cc([C@@H]2CCC[N@H+]2C[C@H]2CNCCO2)cn1 ZINC000311129854 545012351 /nfs/dbraw/zinc/01/23/51/545012351.db2.gz WHNCHXXKGOKQQQ-OLZOCXBDSA-N 2 1 250.346 0.545 10 0 CCAEMP CCC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000245930695 276281469 /nfs/dbraw/zinc/28/14/69/276281469.db2.gz YILFRGJIIYPGDK-MELADBBJSA-N 2 1 285.432 0.630 10 0 CCAEMP CCC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000245930695 276281470 /nfs/dbraw/zinc/28/14/70/276281470.db2.gz YILFRGJIIYPGDK-MELADBBJSA-N 2 1 285.432 0.630 10 0 CCAEMP COC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915531 277056230 /nfs/dbraw/zinc/05/62/30/277056230.db2.gz PYYFCCBJSYCZKT-LBPRGKRZSA-N 2 1 272.389 0.574 10 0 CCAEMP CC[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1C[C@H](C)O ZINC000261716954 288266397 /nfs/dbraw/zinc/26/63/97/288266397.db2.gz JRVUFKOSLCRTED-LJISPDSOSA-N 2 1 297.443 0.665 10 0 CCAEMP CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@H+]1C[C@H](C)O ZINC000246248990 281127918 /nfs/dbraw/zinc/12/79/18/281127918.db2.gz JQNIFAVDQARWIH-STQMWFEESA-N 2 1 283.416 0.562 10 0 CCAEMP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[NH+]1CC ZINC000386178546 545085831 /nfs/dbraw/zinc/08/58/31/545085831.db2.gz TZEWFYZDFNVLDC-UONOGXRCSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000386178546 545085832 /nfs/dbraw/zinc/08/58/32/545085832.db2.gz TZEWFYZDFNVLDC-UONOGXRCSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000386178546 545085833 /nfs/dbraw/zinc/08/58/33/545085833.db2.gz TZEWFYZDFNVLDC-UONOGXRCSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH2+][C@@H](C)CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000061271380 520065408 /nfs/dbraw/zinc/06/54/08/520065408.db2.gz LYQHRUMIRLIOIZ-NWDGAFQWSA-N 2 1 253.390 0.975 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449348043 545096473 /nfs/dbraw/zinc/09/64/73/545096473.db2.gz ALOZUOLBHBCHHU-XQHKEYJVSA-N 2 1 251.374 0.809 10 0 CCAEMP CC(C)C[C@@H](CNC(=O)[C@H](C)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000164388801 519210515 /nfs/dbraw/zinc/21/05/15/519210515.db2.gz XQUWRZQASKFPIQ-HIFRSBDPSA-N 2 1 297.443 0.705 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055124643 521669149 /nfs/dbraw/zinc/66/91/49/521669149.db2.gz LAGFGCPVGYSIIC-AVGNSLFASA-N 2 1 253.390 0.914 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc2c1OCO2 ZINC000263219921 536801732 /nfs/dbraw/zinc/80/17/32/536801732.db2.gz LRUOSWDTXUNXKV-WDEREUQCSA-N 2 1 280.324 0.094 10 0 CCAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668386 622896496 /nfs/dbraw/zinc/89/64/96/622896496.db2.gz KMSBDCMGTFFSQA-AAVRWANBSA-N 2 1 254.374 0.743 10 0 CCAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668386 622896500 /nfs/dbraw/zinc/89/65/00/622896500.db2.gz KMSBDCMGTFFSQA-AAVRWANBSA-N 2 1 254.374 0.743 10 0 CCAEMP CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000049645719 624491335 /nfs/dbraw/zinc/49/13/35/624491335.db2.gz BHPRYTMDUIQSFK-NWDGAFQWSA-N 2 1 275.418 0.142 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]12 ZINC000307953681 624837852 /nfs/dbraw/zinc/83/78/52/624837852.db2.gz YBZFXXSRNYAAME-UTINFBMNSA-N 2 1 252.280 0.969 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000094459878 631262747 /nfs/dbraw/zinc/26/27/47/631262747.db2.gz YWAZXMRVTQNVID-RWMBFGLXSA-N 2 1 251.374 0.681 10 0 CCAEMP [NH3+]C1CCC(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000091667911 649708995 /nfs/dbraw/zinc/70/89/95/649708995.db2.gz PYLYXKNEUBUWOD-HOAMVYINSA-N 2 1 281.400 0.483 10 0 CCAEMP CN(C)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875646 349726696 /nfs/dbraw/zinc/72/66/96/349726696.db2.gz ITNKJLQLNBNHSE-UHFFFAOYSA-N 2 1 264.373 0.763 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252551153 137003260 /nfs/dbraw/zinc/00/32/60/137003260.db2.gz PLNVCFGANSMPCK-TUAOUCFPSA-N 2 1 255.362 0.093 10 0 CCAEMP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)[N@@H+](C)Cc1ccccc1 ZINC000262326890 137038569 /nfs/dbraw/zinc/03/85/69/137038569.db2.gz GFMPPVCXJWJXMN-SNPRPXQTSA-N 2 1 291.395 0.203 10 0 CCAEMP C[C@@H](CNC(=O)C1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000263303526 137063387 /nfs/dbraw/zinc/06/33/87/137063387.db2.gz NXPYFHXNPAGJIZ-LBPRGKRZSA-N 2 1 261.369 0.843 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000263317284 137063837 /nfs/dbraw/zinc/06/38/37/137063837.db2.gz ZRKBYPRNVBTTTB-PWSUYJOCSA-N 2 1 298.770 0.781 10 0 CCAEMP Cc1ccn2c(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cnc2c1 ZINC000263310752 137064017 /nfs/dbraw/zinc/06/40/17/137064017.db2.gz YOBUCMHTQCRGAI-WCQYABFASA-N 2 1 260.341 0.313 10 0 CCAEMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263187927 137060048 /nfs/dbraw/zinc/06/00/48/137060048.db2.gz HOPWGRAEQOGVHD-YPMHNXCESA-N 2 1 252.362 0.442 10 0 CCAEMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263223079 137060726 /nfs/dbraw/zinc/06/07/26/137060726.db2.gz MGKXYUALNBEKDY-GXSJLCMTSA-N 2 1 252.362 0.377 10 0 CCAEMP COCCOc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263222151 137060805 /nfs/dbraw/zinc/06/08/05/137060805.db2.gz MBEXHPFENDVFDY-ZFWWWQNUSA-N 2 1 280.368 0.382 10 0 CCAEMP O=C([C@H]1COCC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000088371186 349363021 /nfs/dbraw/zinc/36/30/21/349363021.db2.gz CQTFEKQCKKJTAY-CQSZACIVSA-N 2 1 281.400 0.452 10 0 CCAEMP C[C@]1(C(=O)NCCC[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000136192753 350417188 /nfs/dbraw/zinc/41/71/88/350417188.db2.gz SGWCYKVNCCWFQI-CQSZACIVSA-N 2 1 269.389 0.357 10 0 CCAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000154776395 350599140 /nfs/dbraw/zinc/59/91/40/350599140.db2.gz BXOSUQVUSPBXCA-STQMWFEESA-N 2 1 291.461 0.588 10 0 CCAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000154776395 350599142 /nfs/dbraw/zinc/59/91/42/350599142.db2.gz BXOSUQVUSPBXCA-STQMWFEESA-N 2 1 291.461 0.588 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174288753 351078142 /nfs/dbraw/zinc/07/81/42/351078142.db2.gz BDZAQLCLAJCRJV-CHWSQXEVSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174288753 351078145 /nfs/dbraw/zinc/07/81/45/351078145.db2.gz BDZAQLCLAJCRJV-CHWSQXEVSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000174288753 351078149 /nfs/dbraw/zinc/07/81/49/351078149.db2.gz BDZAQLCLAJCRJV-CHWSQXEVSA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000174288753 351078153 /nfs/dbraw/zinc/07/81/53/351078153.db2.gz BDZAQLCLAJCRJV-CHWSQXEVSA-N 2 1 271.405 0.240 10 0 CCAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000225554146 352008903 /nfs/dbraw/zinc/00/89/03/352008903.db2.gz RZHILAHYCAHBTR-CABCVRRESA-N 2 1 297.443 0.680 10 0 CCAEMP C[C@H](NC(=O)[C@H]1COCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000237531708 352269800 /nfs/dbraw/zinc/26/98/00/352269800.db2.gz KDJUOYDRGUYVRX-WDEREUQCSA-N 2 1 257.378 0.067 10 0 CCAEMP CC[NH+](CC)CCN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000245608071 352331018 /nfs/dbraw/zinc/33/10/18/352331018.db2.gz KQCKDLLETVWQQW-CABCVRRESA-N 2 1 269.433 0.981 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000246639640 352376360 /nfs/dbraw/zinc/37/63/60/352376360.db2.gz YFXKWQPRURJXKP-CABCVRRESA-N 2 1 297.443 0.632 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000246639640 352376364 /nfs/dbraw/zinc/37/63/64/352376364.db2.gz YFXKWQPRURJXKP-CABCVRRESA-N 2 1 297.443 0.632 10 0 CCAEMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000247111307 352400198 /nfs/dbraw/zinc/40/01/98/352400198.db2.gz QPTKIVSPBWRTBA-HZSPNIEDSA-N 2 1 255.406 0.779 10 0 CCAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000247489456 352416911 /nfs/dbraw/zinc/41/69/11/352416911.db2.gz WTSNXSIKCYZYFT-ILXRZTDVSA-N 2 1 296.459 0.467 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000247489456 352416914 /nfs/dbraw/zinc/41/69/14/352416914.db2.gz WTSNXSIKCYZYFT-ILXRZTDVSA-N 2 1 296.459 0.467 10 0 CCAEMP [NH3+][C@@H]1COC[C@@H]1Nc1cc[nH+]cc1Br ZINC000306498781 354175151 /nfs/dbraw/zinc/17/51/51/354175151.db2.gz GYWXDUKTJZJUSY-APPZFPTMSA-N 2 1 258.119 0.982 10 0 CCAEMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333784566 354792958 /nfs/dbraw/zinc/79/29/58/354792958.db2.gz FEIUREBVLVQIJS-ZDUSSCGKSA-N 2 1 266.389 0.690 10 0 CCAEMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335236799 354992308 /nfs/dbraw/zinc/99/23/08/354992308.db2.gz HQJCTPIKZJXJIH-LBPRGKRZSA-N 2 1 266.389 0.570 10 0 CCAEMP C[N@@H+](C[C@H](O)CN1CC[NH+]2CCCC[C@@H]2C1)C1CC1 ZINC000336811387 355186032 /nfs/dbraw/zinc/18/60/32/355186032.db2.gz MSSVFMFAQKTQII-CABCVRRESA-N 2 1 267.417 0.612 10 0 CCAEMP C[NH+](C[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000336811387 355186034 /nfs/dbraw/zinc/18/60/34/355186034.db2.gz MSSVFMFAQKTQII-CABCVRRESA-N 2 1 267.417 0.612 10 0 CCAEMP C[NH+](C[C@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000336811387 355186036 /nfs/dbraw/zinc/18/60/36/355186036.db2.gz MSSVFMFAQKTQII-CABCVRRESA-N 2 1 267.417 0.612 10 0 CCAEMP CN(C)[C@H](C[NH3+])c1ccc(N2CC[NH+](C)CC2)o1 ZINC000409441780 358114456 /nfs/dbraw/zinc/11/44/56/358114456.db2.gz QTGQXSRUGQADBS-LLVKDONJSA-N 2 1 252.362 0.593 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000334954685 291193102 /nfs/dbraw/zinc/19/31/02/291193102.db2.gz CXFCEVRQJCMCFX-DGCLKSJQSA-N 2 1 266.389 0.617 10 0 CCAEMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336509701 296037731 /nfs/dbraw/zinc/03/77/31/296037731.db2.gz KZLOCBDHZYHIIY-WCQYABFASA-N 2 1 287.354 0.833 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762653 372209182 /nfs/dbraw/zinc/20/91/82/372209182.db2.gz CQTBKLBMXIZQCZ-YDHLFZDLSA-N 2 1 265.401 0.977 10 0 CCAEMP O=C(NCC[NH+]1CCSCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765202 372213106 /nfs/dbraw/zinc/21/31/06/372213106.db2.gz MALFFZPPLCJLJD-JSGCOSHPSA-N 2 1 283.441 0.541 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000333493898 205372624 /nfs/dbraw/zinc/37/26/24/205372624.db2.gz CQCFZZGJGVXYDC-TZMCWYRMSA-N 2 1 280.416 0.934 10 0 CCAEMP O=C(CCC1C[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000638086661 374647261 /nfs/dbraw/zinc/64/72/61/374647261.db2.gz IHAUOEKSGMPQIP-ZDUSSCGKSA-N 2 1 251.374 0.683 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000638115839 374681837 /nfs/dbraw/zinc/68/18/37/374681837.db2.gz JPKFNDHOIYYTRK-CXTNEJHOSA-N 2 1 281.400 0.449 10 0 CCAEMP C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000334949535 207342025 /nfs/dbraw/zinc/34/20/25/207342025.db2.gz UQRDUIZRJKTHGZ-NWDGAFQWSA-N 2 1 266.389 0.640 10 0 CCAEMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328209139 389127503 /nfs/dbraw/zinc/12/75/03/389127503.db2.gz UWIIZCGXOXCCAX-RDBSUJKOSA-N 2 1 261.369 0.925 10 0 CCAEMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328209139 389127504 /nfs/dbraw/zinc/12/75/04/389127504.db2.gz UWIIZCGXOXCCAX-RDBSUJKOSA-N 2 1 261.369 0.925 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161937914 389412173 /nfs/dbraw/zinc/41/21/73/389412173.db2.gz CFHSOVJCHIRUSE-LSDHHAIUSA-N 2 1 269.433 0.859 10 0 CCAEMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000334805048 389505653 /nfs/dbraw/zinc/50/56/53/389505653.db2.gz REEIOCPFHJRDFG-KBPBESRZSA-N 2 1 280.416 0.960 10 0 CCAEMP CN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000335287586 389546083 /nfs/dbraw/zinc/54/60/83/389546083.db2.gz KAUHRDZYPCYFAF-NWDGAFQWSA-N 2 1 252.362 0.226 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[N@H+]1C[C@@H](C)O ZINC000173362354 389501572 /nfs/dbraw/zinc/50/15/72/389501572.db2.gz OUGHLLJJBZRSCU-ZIAGYGMSSA-N 2 1 285.432 0.632 10 0 CCAEMP COC[C@@H](O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000180710516 389674451 /nfs/dbraw/zinc/67/44/51/389674451.db2.gz GBEFJAPIFUBYJM-STQMWFEESA-N 2 1 265.357 0.823 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000649328096 390585855 /nfs/dbraw/zinc/58/58/55/390585855.db2.gz XJMMOFMIADJPIW-GXTWGEPZSA-N 2 1 267.373 0.062 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649328337 390586178 /nfs/dbraw/zinc/58/61/78/390586178.db2.gz PLWBZLPMYATRAQ-QWHCGFSZSA-N 2 1 269.389 0.165 10 0 CCAEMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000649301598 390560922 /nfs/dbraw/zinc/56/09/22/390560922.db2.gz GENHNPLRNXDRPL-GUTXKFCHSA-N 2 1 281.400 0.498 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000649311351 390569567 /nfs/dbraw/zinc/56/95/67/390569567.db2.gz JRXKDOJQCDNCES-DZGCQCFKSA-N 2 1 281.400 0.452 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000649311351 390569571 /nfs/dbraw/zinc/56/95/71/390569571.db2.gz JRXKDOJQCDNCES-DZGCQCFKSA-N 2 1 281.400 0.452 10 0 CCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649318453 390576351 /nfs/dbraw/zinc/57/63/51/390576351.db2.gz LRPVDSOXDSEEIT-TZMCWYRMSA-N 2 1 271.405 0.602 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649337543 390593342 /nfs/dbraw/zinc/59/33/42/390593342.db2.gz SQOPZQAZHXVMNK-MCIONIFRSA-N 2 1 281.400 0.308 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258328332 397440669 /nfs/dbraw/zinc/44/06/69/397440669.db2.gz DNCCWCYHWFRURD-VXGBXAGGSA-N 2 1 254.378 0.522 10 0 CCAEMP C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000062980722 411688144 /nfs/dbraw/zinc/68/81/44/411688144.db2.gz MGKPZJPUCNBHDD-OAHLLOKOSA-N 2 1 267.417 0.783 10 0 CCAEMP CCO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1C[NH3+] ZINC000405291778 411798831 /nfs/dbraw/zinc/79/88/31/411798831.db2.gz HWTJJFZEJCIIBE-VXGBXAGGSA-N 2 1 250.346 0.893 10 0 CCAEMP CCN1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000019424092 170794235 /nfs/dbraw/zinc/79/42/35/170794235.db2.gz QJJCTFVJORRYAL-UHFFFAOYSA-N 2 1 254.422 0.437 10 0 CCAEMP [NH3+]C[C@H](c1cccs1)N1CC[NH+](CCO)CC1 ZINC000020225306 171087325 /nfs/dbraw/zinc/08/73/25/171087325.db2.gz GDMKFTQEWXFTSE-LLVKDONJSA-N 2 1 255.387 0.358 10 0 CCAEMP COCCNC(=O)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000020316543 171147462 /nfs/dbraw/zinc/14/74/62/171147462.db2.gz SLDTXOCXFOXODS-NSHDSACASA-N 2 1 259.394 0.315 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000662846259 414838628 /nfs/dbraw/zinc/83/86/28/414838628.db2.gz OTDLICIPDHGLIU-GFCCVEGCSA-N 2 1 283.416 0.731 10 0 CCAEMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851591 414841662 /nfs/dbraw/zinc/84/16/62/414841662.db2.gz BXJZGQGIVNXCIX-DOMZBBRYSA-N 2 1 283.416 0.744 10 0 CCAEMP C[NH+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000171777928 335079489 /nfs/dbraw/zinc/07/94/89/335079489.db2.gz CGXYTVJHBIIJRC-AWEZNQCLSA-N 2 1 283.416 0.651 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000054307690 544443490 /nfs/dbraw/zinc/44/34/90/544443490.db2.gz UAVAWCXYCGNEGS-LSDHHAIUSA-N 2 1 295.427 0.699 10 0 CCAEMP C[C@]1(C[N@H+]2CC[C@@H](N3CCOCC3)C2)CC[NH2+]C1 ZINC000222905567 544824784 /nfs/dbraw/zinc/82/47/84/544824784.db2.gz XIUIIPKTTBDNAN-KGLIPLIRSA-N 2 1 253.390 0.393 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C ZINC000246197865 544908615 /nfs/dbraw/zinc/90/86/15/544908615.db2.gz DQXNUOYJMHZURL-RYUDHWBXSA-N 2 1 269.389 0.171 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C ZINC000246197865 544908617 /nfs/dbraw/zinc/90/86/17/544908617.db2.gz DQXNUOYJMHZURL-RYUDHWBXSA-N 2 1 269.389 0.171 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250366412 544921930 /nfs/dbraw/zinc/92/19/30/544921930.db2.gz UWWHZTLXSDMCNI-AGIUHOORSA-N 2 1 253.390 0.819 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2C[NH2+]C2)C1 ZINC000263307785 278002854 /nfs/dbraw/zinc/00/28/54/278002854.db2.gz OSKNBSLVAYATJT-TXEJJXNPSA-N 2 1 253.390 0.690 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@H]1C ZINC000246178546 278290489 /nfs/dbraw/zinc/29/04/89/278290489.db2.gz BXQMQDJSJMJVCY-OLZOCXBDSA-N 2 1 283.416 0.290 10 0 CCAEMP C[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043163 288339677 /nfs/dbraw/zinc/33/96/77/288339677.db2.gz UBPOFBUDCLUPTI-TZMCWYRMSA-N 2 1 281.400 0.450 10 0 CCAEMP C[C@@H]1COCCN1C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043163 288339681 /nfs/dbraw/zinc/33/96/81/288339681.db2.gz UBPOFBUDCLUPTI-TZMCWYRMSA-N 2 1 281.400 0.450 10 0 CCAEMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2C[NH2+]C2)C1 ZINC000335379884 290177410 /nfs/dbraw/zinc/17/74/10/290177410.db2.gz UPWHFPCVERSTJH-ZYHUDNBSSA-N 2 1 252.362 0.084 10 0 CCAEMP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333944164 295252599 /nfs/dbraw/zinc/25/25/99/295252599.db2.gz RREJYIKYQUJHRY-XQQFMLRXSA-N 2 1 266.389 0.746 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384256562 336122943 /nfs/dbraw/zinc/12/29/43/336122943.db2.gz OLXZQZSNKITPKA-KBPBESRZSA-N 2 1 283.416 0.555 10 0 CCAEMP CC(C)[NH2+]CC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000053659923 519720259 /nfs/dbraw/zinc/72/02/59/519720259.db2.gz NWQSVKZREGAHIE-UHFFFAOYSA-N 2 1 262.419 0.741 10 0 CCAEMP C(C[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1)N1CCOCC1 ZINC000053012444 518388351 /nfs/dbraw/zinc/38/83/51/518388351.db2.gz XDENATBLIFJFFV-CYBMUJFWSA-N 2 1 253.390 0.393 10 0 CCAEMP C(C[N@H+]1CC[C@H](C[NH2+]C2CC2)C1)N1CCOCC1 ZINC000053012444 518388359 /nfs/dbraw/zinc/38/83/59/518388359.db2.gz XDENATBLIFJFFV-CYBMUJFWSA-N 2 1 253.390 0.393 10 0 CCAEMP C[N@@H+]1CC[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000049309790 523961252 /nfs/dbraw/zinc/96/12/52/523961252.db2.gz OVAQIQLVTIHKDG-QMMMGPOBSA-N 2 1 253.268 0.206 10 0 CCAEMP C[N@H+]1CC[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000049309790 523961255 /nfs/dbraw/zinc/96/12/55/523961255.db2.gz OVAQIQLVTIHKDG-QMMMGPOBSA-N 2 1 253.268 0.206 10 0 CCAEMP OCC[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667842945 545157564 /nfs/dbraw/zinc/15/75/64/545157564.db2.gz UKCGFZRTQUGDMZ-KGLIPLIRSA-N 2 1 254.374 0.600 10 0 CCAEMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263116521 535030779 /nfs/dbraw/zinc/03/07/79/535030779.db2.gz APLMUPJUDYCRTE-UONOGXRCSA-N 2 1 278.400 0.596 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@H]2CCOC2=O)CC1 ZINC000247074164 649701616 /nfs/dbraw/zinc/70/16/16/649701616.db2.gz XCFDVAKFBLTFCY-ZFWWWQNUSA-N 2 1 298.427 0.964 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000251272978 649808591 /nfs/dbraw/zinc/80/85/91/649808591.db2.gz CBXNJPMWCZEMMH-RWMBFGLXSA-N 2 1 269.389 0.339 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252545660 649828301 /nfs/dbraw/zinc/82/83/01/649828301.db2.gz JPEIBLIDBMJXNY-IHRRRGAJSA-N 2 1 281.400 0.356 10 0 CCAEMP [NH3+]C[C@H]1COC[C@@H]2C[N@@H+](Cc3ccccc3)CCN12 ZINC000096949407 185138473 /nfs/dbraw/zinc/13/84/73/185138473.db2.gz IUNBPLQGOSAEHK-GJZGRUSLSA-N 2 1 261.369 0.530 10 0 CCAEMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C1CC1 ZINC000105191968 349721510 /nfs/dbraw/zinc/72/15/10/349721510.db2.gz BVIKSNDSRQFQBS-YPMHNXCESA-N 2 1 268.405 0.863 10 0 CCAEMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@H+](C)C1CC1 ZINC000105191968 349721512 /nfs/dbraw/zinc/72/15/12/349721512.db2.gz BVIKSNDSRQFQBS-YPMHNXCESA-N 2 1 268.405 0.863 10 0 CCAEMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000105191968 349721513 /nfs/dbraw/zinc/72/15/13/349721513.db2.gz BVIKSNDSRQFQBS-YPMHNXCESA-N 2 1 268.405 0.863 10 0 CCAEMP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000601326468 362224059 /nfs/dbraw/zinc/22/40/59/362224059.db2.gz NUXJJKPOQZBQAB-PWSUYJOCSA-N 2 1 263.341 0.895 10 0 CCAEMP COC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000601326468 362224067 /nfs/dbraw/zinc/22/40/67/362224067.db2.gz NUXJJKPOQZBQAB-PWSUYJOCSA-N 2 1 263.341 0.895 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@H]1C ZINC000262402438 137042035 /nfs/dbraw/zinc/04/20/35/137042035.db2.gz PPTKTJIDGKZPIB-NEPJUHHUSA-N 2 1 269.389 0.021 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@H]1C ZINC000262402438 137042036 /nfs/dbraw/zinc/04/20/36/137042036.db2.gz PPTKTJIDGKZPIB-NEPJUHHUSA-N 2 1 269.389 0.021 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(C(C)(C)C)n1 ZINC000263133420 137058981 /nfs/dbraw/zinc/05/89/81/137058981.db2.gz BXABUWFIUDJQCO-ZYHUDNBSSA-N 2 1 266.389 0.388 10 0 CCAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000261781353 137019617 /nfs/dbraw/zinc/01/96/17/137019617.db2.gz PFQMAKIEJGTLKO-YRGRVCCFSA-N 2 1 265.401 0.962 10 0 CCAEMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263295189 137062934 /nfs/dbraw/zinc/06/29/34/137062934.db2.gz XVCDUSGBGDWNIP-QWHCGFSZSA-N 2 1 269.389 0.211 10 0 CCAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263295189 137062935 /nfs/dbraw/zinc/06/29/35/137062935.db2.gz XVCDUSGBGDWNIP-QWHCGFSZSA-N 2 1 269.389 0.211 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000263317281 137063881 /nfs/dbraw/zinc/06/38/81/137063881.db2.gz ZRKBYPRNVBTTTB-JQWIXIFHSA-N 2 1 298.770 0.781 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000263205699 137060635 /nfs/dbraw/zinc/06/06/35/137060635.db2.gz JQYQQKMKUWVRQF-BXUZGUMPSA-N 2 1 273.340 0.142 10 0 CCAEMP CO[C@H]1C[C@H](CO)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000344683483 137207641 /nfs/dbraw/zinc/20/76/41/137207641.db2.gz UXBVJUJBXKTAOJ-KGLIPLIRSA-N 2 1 256.390 0.944 10 0 CCAEMP CO[C@H]1C[C@H](CO)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000344683483 137207642 /nfs/dbraw/zinc/20/76/42/137207642.db2.gz UXBVJUJBXKTAOJ-KGLIPLIRSA-N 2 1 256.390 0.944 10 0 CCAEMP Cc1ncsc1CN(C)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000104447047 186005002 /nfs/dbraw/zinc/00/50/02/186005002.db2.gz JTBKYIUNQWFKEE-LBPRGKRZSA-N 2 1 254.403 0.916 10 0 CCAEMP Cc1ncsc1CN(C)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000104447047 186005003 /nfs/dbraw/zinc/00/50/03/186005003.db2.gz JTBKYIUNQWFKEE-LBPRGKRZSA-N 2 1 254.403 0.916 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158098221 350653257 /nfs/dbraw/zinc/65/32/57/350653257.db2.gz JHPDTOHOHHEOAR-UMSGYPCISA-N 2 1 253.390 0.973 10 0 CCAEMP C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC[N@@H+]1C ZINC000110921221 186332043 /nfs/dbraw/zinc/33/20/43/186332043.db2.gz IUIAOUPRMKPSIR-OCCSQVGLSA-N 2 1 261.369 0.891 10 0 CCAEMP C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC[N@H+]1C ZINC000110921221 186332045 /nfs/dbraw/zinc/33/20/45/186332045.db2.gz IUIAOUPRMKPSIR-OCCSQVGLSA-N 2 1 261.369 0.891 10 0 CCAEMP CC[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000168063968 350819495 /nfs/dbraw/zinc/81/94/95/350819495.db2.gz CLNRBFGBYWIQCT-OAHLLOKOSA-N 2 1 297.443 0.945 10 0 CCAEMP CC(C)[NH2+]CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000193462780 351828366 /nfs/dbraw/zinc/82/83/66/351828366.db2.gz NTFPSQSAPVVCMD-CQSZACIVSA-N 2 1 282.432 0.223 10 0 CCAEMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000236904003 352226049 /nfs/dbraw/zinc/22/60/49/352226049.db2.gz GARQZUBMXLKJGE-CHWSQXEVSA-N 2 1 269.389 0.165 10 0 CCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)C3([NH3+])CCCC3)CC2)CCO1 ZINC000237600712 352273917 /nfs/dbraw/zinc/27/39/17/352273917.db2.gz 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C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105192168 389085485 /nfs/dbraw/zinc/08/54/85/389085485.db2.gz LCQACSBRXICTJN-ZIAGYGMSSA-N 2 1 280.416 0.960 10 0 CCAEMP CCNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915621 389089086 /nfs/dbraw/zinc/08/90/86/389089086.db2.gz GXTPDAYXQZGCKC-GFCCVEGCSA-N 2 1 271.405 0.147 10 0 CCAEMP CC[C@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862773 389089256 /nfs/dbraw/zinc/08/92/56/389089256.db2.gz XBHBYXXOADRXCI-DGCLKSJQSA-N 2 1 271.405 0.275 10 0 CCAEMP CO[C@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCOC1 ZINC000312062638 389107000 /nfs/dbraw/zinc/10/70/00/389107000.db2.gz JBUSTLILYURJRZ-KGLIPLIRSA-N 2 1 272.389 0.228 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000263212668 389297878 /nfs/dbraw/zinc/29/78/78/389297878.db2.gz KLGCPLRMOPSDCK-QMTHXVAHSA-N 2 1 290.342 0.886 10 0 CCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000334345766 389468837 /nfs/dbraw/zinc/46/88/37/389468837.db2.gz VGXYKYMETCCARR-QWHCGFSZSA-N 2 1 266.389 0.570 10 0 CCAEMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334345766 389468840 /nfs/dbraw/zinc/46/88/40/389468840.db2.gz VGXYKYMETCCARR-QWHCGFSZSA-N 2 1 266.389 0.570 10 0 CCAEMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000334345766 389468845 /nfs/dbraw/zinc/46/88/45/389468845.db2.gz VGXYKYMETCCARR-QWHCGFSZSA-N 2 1 266.389 0.570 10 0 CCAEMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000335120207 389537875 /nfs/dbraw/zinc/53/78/75/389537875.db2.gz UBKMGIAVPQHVEQ-QWRGUYRKSA-N 2 1 273.327 0.538 10 0 CCAEMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335120207 389537879 /nfs/dbraw/zinc/53/78/79/389537879.db2.gz UBKMGIAVPQHVEQ-QWRGUYRKSA-N 2 1 273.327 0.538 10 0 CCAEMP COCCC1(C(=O)N2CCC[N@@H+](C)CC2)CC[NH2+]CC1 ZINC000643767982 390538096 /nfs/dbraw/zinc/53/80/96/390538096.db2.gz KSKNIRIYOJONGX-UHFFFAOYSA-N 2 1 283.416 0.557 10 0 CCAEMP COCCC1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000643767713 390538143 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C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000163997966 298176273 /nfs/dbraw/zinc/17/62/73/298176273.db2.gz DSRIHCLZHIFHTH-CYZMBNFOSA-N 2 1 251.374 0.585 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000261716952 287155726 /nfs/dbraw/zinc/15/57/26/287155726.db2.gz JRVUFKOSLCRTED-KBUPBQIOSA-N 2 1 297.443 0.665 10 0 CCAEMP CC(C)(C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000132903333 411727965 /nfs/dbraw/zinc/72/79/65/411727965.db2.gz XOYBFKTTXAPBGL-UONOGXRCSA-N 2 1 294.443 0.413 10 0 CCAEMP COCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750392 174395176 /nfs/dbraw/zinc/39/51/76/174395176.db2.gz UMYKJIFOLZDDKG-YEJSDXFRSA-N 2 1 255.362 0.092 10 0 CCAEMP COCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750392 174395178 /nfs/dbraw/zinc/39/51/78/174395178.db2.gz UMYKJIFOLZDDKG-YEJSDXFRSA-N 2 1 255.362 0.092 10 0 CCAEMP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000662844800 414835989 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C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092954348 544536542 /nfs/dbraw/zinc/53/65/42/544536542.db2.gz AGMANHAXDRNZEA-YNEHKIRRSA-N 2 1 251.374 0.681 10 0 CCAEMP Cc1c(C[N@@H+](C)CCN2CC[NH2+]CC2)cnn1C ZINC000093651364 544542952 /nfs/dbraw/zinc/54/29/52/544542952.db2.gz CXYMTVFTMPKFHV-UHFFFAOYSA-N 2 1 251.378 0.066 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000089455325 544512839 /nfs/dbraw/zinc/51/28/39/544512839.db2.gz ZQTUTGCBQODRMA-SOUVJXGZSA-N 2 1 295.427 0.685 10 0 CCAEMP CCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262127966 544940615 /nfs/dbraw/zinc/94/06/15/544940615.db2.gz NIVKAGINWVEMHD-CHWSQXEVSA-N 2 1 250.342 0.755 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000333842520 545043729 /nfs/dbraw/zinc/04/37/29/545043729.db2.gz ONRCNYXPUCODSZ-RWMBFGLXSA-N 2 1 291.399 0.885 10 0 CCAEMP CC1(C)CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC[C@@H]1[NH3+] ZINC000336509658 276126598 /nfs/dbraw/zinc/12/65/98/276126598.db2.gz 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ZINC000171631129 389478447 /nfs/dbraw/zinc/47/84/47/389478447.db2.gz WQNYVAQTHCJWSY-ZDUSSCGKSA-N 2 1 258.406 0.784 10 0 CCAEMP CC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000174601539 389525976 /nfs/dbraw/zinc/52/59/76/389525976.db2.gz YDLABRDNUBZQRG-KGLIPLIRSA-N 2 1 285.432 0.630 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH+](CC)CC)CC[N@H+]1C[C@@H](C)O ZINC000173362367 389501604 /nfs/dbraw/zinc/50/16/04/389501604.db2.gz OUGHLLJJBZRSCU-KGLIPLIRSA-N 2 1 285.432 0.632 10 0 CCAEMP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000171268421 335061453 /nfs/dbraw/zinc/06/14/53/335061453.db2.gz ADPBAZKQAYOHHI-ZIAGYGMSSA-N 2 1 282.432 0.223 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000171268421 335061454 /nfs/dbraw/zinc/06/14/54/335061454.db2.gz ADPBAZKQAYOHHI-ZIAGYGMSSA-N 2 1 282.432 0.223 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261999839 285361091 /nfs/dbraw/zinc/36/10/91/285361091.db2.gz NIMAPQYKMTUKAX-RYUDHWBXSA-N 2 1 269.389 0.293 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261999839 285361092 /nfs/dbraw/zinc/36/10/92/285361092.db2.gz NIMAPQYKMTUKAX-RYUDHWBXSA-N 2 1 269.389 0.293 10 0 CCAEMP CS(=O)(=O)CCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000647908190 390214865 /nfs/dbraw/zinc/21/48/65/390214865.db2.gz FULNZNDDNUCDCL-SRVKXCTJSA-N 2 1 260.403 0.480 10 0 CCAEMP CS(=O)(=O)CCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000647908190 390214867 /nfs/dbraw/zinc/21/48/67/390214867.db2.gz FULNZNDDNUCDCL-SRVKXCTJSA-N 2 1 260.403 0.480 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649328338 390585871 /nfs/dbraw/zinc/58/58/71/390585871.db2.gz PLWBZLPMYATRAQ-STQMWFEESA-N 2 1 269.389 0.165 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649277321 390545520 /nfs/dbraw/zinc/54/55/20/390545520.db2.gz UUJUQYWDBGHOEK-TZMCWYRMSA-N 2 1 269.389 0.356 10 0 CCAEMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000649297737 390557680 /nfs/dbraw/zinc/55/76/80/390557680.db2.gz UKFHBEFTVISGQN-YDHLFZDLSA-N 2 1 281.400 0.498 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649335294 390591190 /nfs/dbraw/zinc/59/11/90/390591190.db2.gz QIKBVGDJHMDERL-UTUOFQBUSA-N 2 1 251.374 0.680 10 0 CCAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304855 390564436 /nfs/dbraw/zinc/56/44/36/390564436.db2.gz KEKWCPMEPNOAKY-QWHCGFSZSA-N 2 1 269.389 0.069 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305917 390564810 /nfs/dbraw/zinc/56/48/10/390564810.db2.gz LYAVWGXBSATFCT-GHMZBOCLSA-N 2 1 275.343 0.832 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305918 390565387 /nfs/dbraw/zinc/56/53/87/390565387.db2.gz LYAVWGXBSATFCT-MNOVXSKESA-N 2 1 275.343 0.832 10 0 CCAEMP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000649311327 390569746 /nfs/dbraw/zinc/56/97/46/390569746.db2.gz IAPALSALRDJELC-VXGBXAGGSA-N 2 1 287.354 0.928 10 0 CCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000389083883 397509554 /nfs/dbraw/zinc/50/95/54/397509554.db2.gz LXMNPWFWPGQFRA-KKUMJFAQSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000389083883 397509557 /nfs/dbraw/zinc/50/95/57/397509557.db2.gz LXMNPWFWPGQFRA-KKUMJFAQSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000389083883 397509559 /nfs/dbraw/zinc/50/95/59/397509559.db2.gz LXMNPWFWPGQFRA-KKUMJFAQSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000389083883 397509561 /nfs/dbraw/zinc/50/95/61/397509561.db2.gz LXMNPWFWPGQFRA-KKUMJFAQSA-N 2 1 270.417 0.926 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000246947002 287086613 /nfs/dbraw/zinc/08/66/13/287086613.db2.gz JDNHYBDYOJKKDM-OCCSQVGLSA-N 2 1 283.416 0.242 10 0 CCAEMP [NH3+]Cc1ccccc1NC(=O)CC[NH+]1CCOCC1 ZINC000022151460 171358743 /nfs/dbraw/zinc/35/87/43/171358743.db2.gz BWRTUNAAOLDFCQ-UHFFFAOYSA-N 2 1 263.341 0.806 10 0 CCAEMP [NH3+]Cc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1 ZINC000022153642 171360573 /nfs/dbraw/zinc/36/05/73/171360573.db2.gz UYLQQWKCZZAFIG-UHFFFAOYSA-N 2 1 263.341 0.806 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022176751 171371131 /nfs/dbraw/zinc/37/11/31/171371131.db2.gz BGKZLEPBHKHDHN-ZDUSSCGKSA-N 2 1 297.424 0.908 10 0 CCAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653110630 412224814 /nfs/dbraw/zinc/22/48/14/412224814.db2.gz PEQLLEBZZSSTEV-IVZWLZJFSA-N 2 1 279.306 0.452 10 0 CCAEMP CC[N@H+]([C@H](C)C(=O)NCCOC)C1CC[NH2+]CC1 ZINC000037538754 173258966 /nfs/dbraw/zinc/25/89/66/173258966.db2.gz ZDQKVZUZZPZSCC-LLVKDONJSA-N 2 1 257.378 0.211 10 0 CCAEMP CC[N@@H+]([C@H](C)C(=O)NCCOC)C1CC[NH2+]CC1 ZINC000037538754 173258969 /nfs/dbraw/zinc/25/89/69/173258969.db2.gz ZDQKVZUZZPZSCC-LLVKDONJSA-N 2 1 257.378 0.211 10 0 CCAEMP CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000037539328 173260117 /nfs/dbraw/zinc/26/01/17/173260117.db2.gz KHYQOEIWFQDPIO-VIFPVBQESA-N 2 1 256.350 0.034 10 0 CCAEMP CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000037539328 173260119 /nfs/dbraw/zinc/26/01/19/173260119.db2.gz KHYQOEIWFQDPIO-VIFPVBQESA-N 2 1 256.350 0.034 10 0 CCAEMP O=C([C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N(CCO)C1CC1 ZINC000038043233 174049939 /nfs/dbraw/zinc/04/99/39/174049939.db2.gz PEMLXCRQNLTRND-CQSZACIVSA-N 2 1 281.400 0.186 10 0 CCAEMP O=C([C@H]1CCC[N@H+]1C1CC[NH2+]CC1)N(CCO)C1CC1 ZINC000038043233 174049941 /nfs/dbraw/zinc/04/99/41/174049941.db2.gz PEMLXCRQNLTRND-CQSZACIVSA-N 2 1 281.400 0.186 10 0 CCAEMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000040430432 174259801 /nfs/dbraw/zinc/25/98/01/174259801.db2.gz DIKKJIPIMWMJDW-QWRGUYRKSA-N 2 1 251.330 0.751 10 0 CCAEMP C[C@H](C(=O)N1CCCC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750407 174395794 /nfs/dbraw/zinc/39/57/94/174395794.db2.gz PWXKQEOQJRZREA-ODWCKFRGSA-N 2 1 251.374 0.951 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662738729 414750597 /nfs/dbraw/zinc/75/05/97/414750597.db2.gz YIXFSTLARDNONW-ZDEQEGDKSA-N 2 1 251.374 0.809 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089460925 544514307 /nfs/dbraw/zinc/51/43/07/544514307.db2.gz UOYRYBCWYNIUPI-JHJVBQTASA-N 2 1 253.390 0.819 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089460980 544515081 /nfs/dbraw/zinc/51/50/81/544515081.db2.gz ZVTFSISSSKIHTN-LOWVWBTDSA-N 2 1 251.374 0.714 10 0 CCAEMP O[C@H](C[NH2+]CC1=CCCOC1)C[NH+]1CCCCC1 ZINC000126743095 544598597 /nfs/dbraw/zinc/59/85/97/544598597.db2.gz MRQSKZDZAZIUGW-CQSZACIVSA-N 2 1 254.374 0.770 10 0 CCAEMP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000250217102 544922381 /nfs/dbraw/zinc/92/23/81/544922381.db2.gz DIAPHCQUUXCYNE-MELADBBJSA-N 2 1 255.406 0.779 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000252920170 544931046 /nfs/dbraw/zinc/93/10/46/544931046.db2.gz FKEYTZJJXPOGBN-NEPJUHHUSA-N 2 1 267.373 0.060 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000262098262 544939246 /nfs/dbraw/zinc/93/92/46/544939246.db2.gz IIBSIYGIGXBFNQ-BXUZGUMPSA-N 2 1 290.342 0.886 10 0 CCAEMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262093646 544939898 /nfs/dbraw/zinc/93/98/98/544939898.db2.gz HIMGVKNCCNMMAM-DGCLKSJQSA-N 2 1 260.341 0.313 10 0 CCAEMP CCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262127969 544941157 /nfs/dbraw/zinc/94/11/57/544941157.db2.gz NIVKAGINWVEMHD-OLZOCXBDSA-N 2 1 250.342 0.755 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000333777740 545043074 /nfs/dbraw/zinc/04/30/74/545043074.db2.gz DFAMYEZFXIRXFY-RDBSUJKOSA-N 2 1 298.431 0.225 10 0 CCAEMP CCN(C)C(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000178199365 279014385 /nfs/dbraw/zinc/01/43/85/279014385.db2.gz MJOJTXJQTLDWEJ-AWEZNQCLSA-N 2 1 299.459 0.879 10 0 CCAEMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000343710974 288098121 /nfs/dbraw/zinc/09/81/21/288098121.db2.gz KKFTYOZCCJCTTG-HZSPNIEDSA-N 2 1 255.406 0.373 10 0 CCAEMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262415514 279132237 /nfs/dbraw/zinc/13/22/37/279132237.db2.gz RCTVMVDUXVITRF-WCQYABFASA-N 2 1 281.404 0.527 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000333800359 290098706 /nfs/dbraw/zinc/09/87/06/290098706.db2.gz HQCJNOXBEZSLSX-MELADBBJSA-N 2 1 298.431 0.225 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1([NH3+])CCCC1 ZINC000094459938 297092459 /nfs/dbraw/zinc/09/24/59/297092459.db2.gz PCFYPMWVUGBZBJ-VXGBXAGGSA-N 2 1 251.374 0.953 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000394041187 329095747 /nfs/dbraw/zinc/09/57/47/329095747.db2.gz FCJIGLUKOCYLKV-RDBSUJKOSA-N 2 1 255.406 0.468 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000394041187 329095748 /nfs/dbraw/zinc/09/57/48/329095748.db2.gz FCJIGLUKOCYLKV-RDBSUJKOSA-N 2 1 255.406 0.468 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000394041187 329095750 /nfs/dbraw/zinc/09/57/50/329095750.db2.gz FCJIGLUKOCYLKV-RDBSUJKOSA-N 2 1 255.406 0.468 10 0 CCAEMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000163426179 524403892 /nfs/dbraw/zinc/40/38/92/524403892.db2.gz KTGZJIGJFRKDMC-KGLIPLIRSA-N 2 1 298.431 0.300 10 0 CCAEMP O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]12)C[NH+]1CCCC1 ZINC000049567637 526279304 /nfs/dbraw/zinc/27/93/04/526279304.db2.gz UJRHMOSBUTYGJH-MGPQQGTHSA-N 2 1 253.390 0.269 10 0 CCAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1OC ZINC000263195725 535676234 /nfs/dbraw/zinc/67/62/34/535676234.db2.gz IKEGDHBVGVBUFR-OLZOCXBDSA-N 2 1 280.368 0.764 10 0 CCAEMP C[C@@]1(C[N@H+]2CC[C@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000104168511 625755512 /nfs/dbraw/zinc/75/55/12/625755512.db2.gz MWEUOTKTPUWXCS-LSDHHAIUSA-N 2 1 267.417 0.783 10 0 CCAEMP C(c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000252550028 649828500 /nfs/dbraw/zinc/82/85/00/649828500.db2.gz OHEQZEMPDPTDSZ-SRVKXCTJSA-N 2 1 278.356 0.900 10 0 CCAEMP C(c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000252550028 649828501 /nfs/dbraw/zinc/82/85/01/649828501.db2.gz OHEQZEMPDPTDSZ-SRVKXCTJSA-N 2 1 278.356 0.900 10 0 CCAEMP NC(=[NH2+])c1cc(F)ccc1N1CC[NH+](CCO)CC1 ZINC000104236845 136554044 /nfs/dbraw/zinc/55/40/44/136554044.db2.gz SCGHHWFMUDDGSK-UHFFFAOYSA-N 2 1 266.320 0.224 10 0 CCAEMP Fc1cncc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261592295 137011168 /nfs/dbraw/zinc/01/11/68/137011168.db2.gz MHPYGXQLZCGYKT-CQSZACIVSA-N 2 1 264.348 0.700 10 0 CCAEMP Fc1cncc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261592295 137011169 /nfs/dbraw/zinc/01/11/69/137011169.db2.gz MHPYGXQLZCGYKT-CQSZACIVSA-N 2 1 264.348 0.700 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000263243751 137061157 /nfs/dbraw/zinc/06/11/57/137061157.db2.gz OZDCKFBIYISWQS-AAEUAGOBSA-N 2 1 290.392 0.875 10 0 CCAEMP C[NH+]1CCN([C@@H](CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000062268812 348666778 /nfs/dbraw/zinc/66/67/78/348666778.db2.gz RAAFFHQOZBQNGD-KRWDZBQOSA-N 2 1 288.439 0.880 10 0 CCAEMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2C[NH2+]C2)C1 ZINC000335379876 290238445 /nfs/dbraw/zinc/23/84/45/290238445.db2.gz UPWHFPCVERSTJH-JQWIXIFHSA-N 2 1 252.362 0.084 10 0 CCAEMP CC[NH+](CC)CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105069548 186040260 /nfs/dbraw/zinc/04/02/60/186040260.db2.gz WXLWKOJBTPQVDH-UHFFFAOYSA-N 2 1 268.405 0.818 10 0 CCAEMP C[C@H]1C[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000132964354 350321376 /nfs/dbraw/zinc/32/13/76/350321376.db2.gz HQDCUBYOODGAMA-QWHCGFSZSA-N 2 1 282.432 0.269 10 0 CCAEMP COCC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174903270 351110262 /nfs/dbraw/zinc/11/02/62/351110262.db2.gz QIIUBEZUSOSMNP-AWEZNQCLSA-N 2 1 255.406 0.735 10 0 CCAEMP COCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903270 351110264 /nfs/dbraw/zinc/11/02/64/351110264.db2.gz QIIUBEZUSOSMNP-AWEZNQCLSA-N 2 1 255.406 0.735 10 0 CCAEMP COCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903270 351110267 /nfs/dbraw/zinc/11/02/67/351110267.db2.gz QIIUBEZUSOSMNP-AWEZNQCLSA-N 2 1 255.406 0.735 10 0 CCAEMP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000178861274 351249214 /nfs/dbraw/zinc/24/92/14/351249214.db2.gz ZTIKTSZWLYOTSP-HIFRSBDPSA-N 2 1 295.427 0.555 10 0 CCAEMP Cn1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(C)CC2)cn1 ZINC000180472013 351285391 /nfs/dbraw/zinc/28/53/91/351285391.db2.gz NVRWXMDSGVOJQG-CQSZACIVSA-N 2 1 291.399 0.331 10 0 CCAEMP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237494008 352267987 /nfs/dbraw/zinc/26/79/87/352267987.db2.gz DQDZDJRYMDQNEL-KBPBESRZSA-N 2 1 283.416 0.603 10 0 CCAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237494008 352267988 /nfs/dbraw/zinc/26/79/88/352267988.db2.gz DQDZDJRYMDQNEL-KBPBESRZSA-N 2 1 283.416 0.603 10 0 CCAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237552247 352270909 /nfs/dbraw/zinc/27/09/09/352270909.db2.gz CJMHOFOLIOAYJV-MCIONIFRSA-N 2 1 283.416 0.459 10 0 CCAEMP CC[C@@H]1CN(Cc2c[nH]cn2)CC[N@H+]1C[C@H](C)O ZINC000245756961 352337494 /nfs/dbraw/zinc/33/74/94/352337494.db2.gz OVVIWZQYZGFSGX-WCQYABFASA-N 2 1 252.362 0.687 10 0 CCAEMP CC[C@@H]1CN(Cc2cnc[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000245756961 352337499 /nfs/dbraw/zinc/33/74/99/352337499.db2.gz OVVIWZQYZGFSGX-WCQYABFASA-N 2 1 252.362 0.687 10 0 CCAEMP CC[C@@H]1CN(Cc2cnc[nH]2)CC[N@H+]1C[C@H](C)O ZINC000245756961 352337503 /nfs/dbraw/zinc/33/75/03/352337503.db2.gz OVVIWZQYZGFSGX-WCQYABFASA-N 2 1 252.362 0.687 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247230119 352404979 /nfs/dbraw/zinc/40/49/79/352404979.db2.gz MQBCFLWYADXMIU-KBPBESRZSA-N 2 1 298.431 0.443 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247230119 352404980 /nfs/dbraw/zinc/40/49/80/352404980.db2.gz MQBCFLWYADXMIU-KBPBESRZSA-N 2 1 298.431 0.443 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247230119 352404981 /nfs/dbraw/zinc/40/49/81/352404981.db2.gz MQBCFLWYADXMIU-KBPBESRZSA-N 2 1 298.431 0.443 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000251633807 352510897 /nfs/dbraw/zinc/51/08/97/352510897.db2.gz FNUQPIUVJCKFIF-DYEKYZERSA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCN1CC[NH2+]CC1 ZINC000251866448 352512515 /nfs/dbraw/zinc/51/25/15/352512515.db2.gz SYLQQODWZXHUHW-KBPBESRZSA-N 2 1 252.406 0.060 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000333676003 354774284 /nfs/dbraw/zinc/77/42/84/354774284.db2.gz NYDJXOJTMYOLHO-KBPBESRZSA-N 2 1 298.431 0.491 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000333676003 354774288 /nfs/dbraw/zinc/77/42/88/354774288.db2.gz NYDJXOJTMYOLHO-KBPBESRZSA-N 2 1 298.431 0.491 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@@H]1C[NH3+] 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10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1)[NH+](C)C ZINC000246971003 285038970 /nfs/dbraw/zinc/03/89/70/285038970.db2.gz JKIGACADMZVGFG-BFHYXJOUSA-N 2 1 285.432 0.630 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C)CC2)C1 ZINC000334368724 285265876 /nfs/dbraw/zinc/26/58/76/285265876.db2.gz MHESNRUQZAZUPM-ZDUSSCGKSA-N 2 1 268.405 0.818 10 0 CCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000334368724 285265877 /nfs/dbraw/zinc/26/58/77/285265877.db2.gz MHESNRUQZAZUPM-ZDUSSCGKSA-N 2 1 268.405 0.818 10 0 CCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000334368724 285265878 /nfs/dbraw/zinc/26/58/78/285265878.db2.gz MHESNRUQZAZUPM-ZDUSSCGKSA-N 2 1 268.405 0.818 10 0 CCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000324483754 389126706 /nfs/dbraw/zinc/12/67/06/389126706.db2.gz JPWNJZWTLSYFKX-CHWSQXEVSA-N 2 1 258.406 0.830 10 0 CCAEMP C[N@@H+](CCNC(=O)C1C[NH2+]C1)Cc1ccc(F)cc1 ZINC000263272906 389298575 /nfs/dbraw/zinc/29/85/75/389298575.db2.gz IJLJXMFHDIZSCN-UHFFFAOYSA-N 2 1 265.332 0.593 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000334345763 389468611 /nfs/dbraw/zinc/46/86/11/389468611.db2.gz VGXYKYMETCCARR-CHWSQXEVSA-N 2 1 266.389 0.570 10 0 CCAEMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334345763 389468615 /nfs/dbraw/zinc/46/86/15/389468615.db2.gz VGXYKYMETCCARR-CHWSQXEVSA-N 2 1 266.389 0.570 10 0 CCAEMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000334345763 389468618 /nfs/dbraw/zinc/46/86/18/389468618.db2.gz VGXYKYMETCCARR-CHWSQXEVSA-N 2 1 266.389 0.570 10 0 CCAEMP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000334939652 389511484 /nfs/dbraw/zinc/51/14/84/389511484.db2.gz UKHVPLCJMHMWGJ-RYUDHWBXSA-N 2 1 252.362 0.228 10 0 CCAEMP C[C@@H](CN1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000180624138 389672862 /nfs/dbraw/zinc/67/28/62/389672862.db2.gz HOIYBVQYTXVPEV-UONOGXRCSA-N 2 1 253.390 0.487 10 0 CCAEMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)C1CC1 ZINC000398790409 389785156 /nfs/dbraw/zinc/78/51/56/389785156.db2.gz NGJGXJZRRYVFPG-MXYBEHONSA-N 2 1 268.401 0.534 10 0 CCAEMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)C1CC1 ZINC000398790409 389785158 /nfs/dbraw/zinc/78/51/58/389785158.db2.gz NGJGXJZRRYVFPG-MXYBEHONSA-N 2 1 268.401 0.534 10 0 CCAEMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)C1CC1 ZINC000398790409 389785162 /nfs/dbraw/zinc/78/51/62/389785162.db2.gz NGJGXJZRRYVFPG-MXYBEHONSA-N 2 1 268.401 0.534 10 0 CCAEMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)C1CC1 ZINC000398790409 389785166 /nfs/dbraw/zinc/78/51/66/389785166.db2.gz NGJGXJZRRYVFPG-MXYBEHONSA-N 2 1 268.401 0.534 10 0 CCAEMP COC[C@]1(C(=O)N2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000649286161 390552041 /nfs/dbraw/zinc/55/20/41/390552041.db2.gz YFVLAACKZJFRKH-AWEZNQCLSA-N 2 1 269.389 0.308 10 0 CCAEMP COC[C@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649298098 390557564 /nfs/dbraw/zinc/55/75/64/390557564.db2.gz QNSLYKSRAGPNCR-DOMZBBRYSA-N 2 1 281.400 0.356 10 0 CCAEMP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000649311324 390568959 /nfs/dbraw/zinc/56/89/59/390568959.db2.gz IAPALSALRDJELC-NEPJUHHUSA-N 2 1 287.354 0.928 10 0 CCAEMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649343951 390597620 /nfs/dbraw/zinc/59/76/20/390597620.db2.gz HWHLLEVWVMKKEX-GFCCVEGCSA-N 2 1 257.378 0.071 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646140802 390616360 /nfs/dbraw/zinc/61/63/60/390616360.db2.gz XPEGNXVYQXUIOA-NEPJUHHUSA-N 2 1 253.390 0.927 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCC[C@H]2C1 ZINC000310945213 411748574 /nfs/dbraw/zinc/74/85/74/411748574.db2.gz XQKGUKPBLVRMBC-KBPBESRZSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000310945213 411748580 /nfs/dbraw/zinc/74/85/80/411748580.db2.gz XQKGUKPBLVRMBC-KBPBESRZSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000310945213 411748586 /nfs/dbraw/zinc/74/85/86/411748586.db2.gz XQKGUKPBLVRMBC-KBPBESRZSA-N 2 1 255.406 0.468 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112929 412224078 /nfs/dbraw/zinc/22/40/78/412224078.db2.gz NCISYAFIWBPLQV-GMTAPVOTSA-N 2 1 293.333 0.985 10 0 CCAEMP C[C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)[NH2+]1 ZINC000037393635 173174307 /nfs/dbraw/zinc/17/43/07/173174307.db2.gz PDUPJWSKVPJGBL-QWHCGFSZSA-N 2 1 269.389 0.356 10 0 CCAEMP O=C([C@@H]1CCC[N@H+]1C/C=C/Cl)N1CC[NH2+]CC1 ZINC000040508412 174303263 /nfs/dbraw/zinc/30/32/63/174303263.db2.gz QLTIQIVJQAVXFW-FWEMWIAWSA-N 2 1 257.765 0.635 10 0 CCAEMP O=C([C@@H]1CCC[N@@H+]1C/C=C/Cl)N1CC[NH2+]CC1 ZINC000040508412 174303265 /nfs/dbraw/zinc/30/32/65/174303265.db2.gz QLTIQIVJQAVXFW-FWEMWIAWSA-N 2 1 257.765 0.635 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662852421 414841322 /nfs/dbraw/zinc/84/13/22/414841322.db2.gz KENNLPPWQYOYOW-RYUDHWBXSA-N 2 1 269.389 0.211 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136408800 544638394 /nfs/dbraw/zinc/63/83/94/544638394.db2.gz DRKAYOULVRBIPA-CYBMUJFWSA-N 2 1 271.405 0.541 10 0 CCAEMP CCN1CCO[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000226872547 544832231 /nfs/dbraw/zinc/83/22/31/544832231.db2.gz DIAPHCQUUXCYNE-BFHYXJOUSA-N 2 1 255.406 0.779 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000227800570 544838139 /nfs/dbraw/zinc/83/81/39/544838139.db2.gz AHZGKPSAAFJVKN-MCIONIFRSA-N 2 1 281.400 0.437 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000333399243 545039461 /nfs/dbraw/zinc/03/94/61/545039461.db2.gz PSKCIDBPVRXEMO-WOPDTQHZSA-N 2 1 266.389 0.520 10 0 CCAEMP CC(C)(C)[NH2+]CCN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062973830 277172820 /nfs/dbraw/zinc/17/28/20/277172820.db2.gz OLFZYQOXVDFKFY-CYBMUJFWSA-N 2 1 255.406 0.781 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261639131 277224326 /nfs/dbraw/zinc/22/43/26/277224326.db2.gz CJKTXLUFRNVNAP-MGPQQGTHSA-N 2 1 283.416 0.541 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261639131 277224327 /nfs/dbraw/zinc/22/43/27/277224327.db2.gz CJKTXLUFRNVNAP-MGPQQGTHSA-N 2 1 283.416 0.541 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000335285388 279293680 /nfs/dbraw/zinc/29/36/80/279293680.db2.gz NCKCDURBSQGYGG-GFCCVEGCSA-N 2 1 268.405 0.864 10 0 CCAEMP CC[C@@H](C(=O)OC)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631247 280087347 /nfs/dbraw/zinc/08/73/47/280087347.db2.gz MSHZPXYIVKWPPC-OCCSQVGLSA-N 2 1 286.416 0.963 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336811822 288306120 /nfs/dbraw/zinc/30/61/20/288306120.db2.gz OPUWDWQQSVHQNH-YUELXQCFSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336811822 288306121 /nfs/dbraw/zinc/30/61/21/288306121.db2.gz OPUWDWQQSVHQNH-YUELXQCFSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336811822 288306123 /nfs/dbraw/zinc/30/61/23/288306123.db2.gz OPUWDWQQSVHQNH-YUELXQCFSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCCC[NH2+]1 ZINC000394377366 545088058 /nfs/dbraw/zinc/08/80/58/545088058.db2.gz CPFQCGXDMICVHF-ZFWWWQNUSA-N 2 1 280.416 0.025 10 0 CCAEMP CC[N@@H+](CC[C@H]([NH2+]C(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000062458774 521158329 /nfs/dbraw/zinc/15/83/29/521158329.db2.gz ANYXLPASRDULRA-STQMWFEESA-N 2 1 271.405 0.729 10 0 CCAEMP CC[N@H+](CC[C@H]([NH2+]C(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000062458774 521158321 /nfs/dbraw/zinc/15/83/21/521158321.db2.gz ANYXLPASRDULRA-STQMWFEESA-N 2 1 271.405 0.729 10 0 CCAEMP CC[C@@H](C)[NH+]1CCN(CC[C@H]([NH3+])C(=O)OC)CC1 ZINC000062532047 522121761 /nfs/dbraw/zinc/12/17/61/522121761.db2.gz LJJFWYDRYNVDEM-NEPJUHHUSA-N 2 1 257.378 0.293 10 0 CCAEMP CCn1cc(CN2CC[NH+](C[C@H](C)C[NH3+])CC2)cn1 ZINC000050539194 523371278 /nfs/dbraw/zinc/37/12/78/523371278.db2.gz LMYUHHYBDGYHHH-CYBMUJFWSA-N 2 1 265.405 0.615 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@H]1[C@H]([NH3+])CCC[C@@H]1C ZINC000061401445 523597688 /nfs/dbraw/zinc/59/76/88/523597688.db2.gz HAUHXUPPVQWKJJ-YNEHKIRRSA-N 2 1 271.405 0.444 10 0 CCAEMP C[C@@H](C[NH3+])C[N@H+]1CCCN(c2nccn2C)CC1 ZINC000050605364 524582389 /nfs/dbraw/zinc/58/23/89/524582389.db2.gz JUTQTHRDNKEVRN-LBPRGKRZSA-N 2 1 251.378 0.527 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000246735123 524921847 /nfs/dbraw/zinc/92/18/47/524921847.db2.gz YPNGZBPRAUELAC-ZIAGYGMSSA-N 2 1 295.427 0.840 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604633 525094655 /nfs/dbraw/zinc/09/46/55/525094655.db2.gz AOJSAOHONSFMBY-UPJWGTAASA-N 2 1 274.430 0.599 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1C ZINC000157847582 525432554 /nfs/dbraw/zinc/43/25/54/525432554.db2.gz UIYFQJSWQRUVJT-KKOKHZNYSA-N 2 1 255.362 0.092 10 0 CCAEMP O=C1NCCN1CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565543 527070022 /nfs/dbraw/zinc/07/00/22/527070022.db2.gz SWGWDXLRVBHQHJ-NEPJUHHUSA-N 2 1 252.362 0.228 10 0 CCAEMP O=C1NCCN1CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049565543 527070028 /nfs/dbraw/zinc/07/00/28/527070028.db2.gz SWGWDXLRVBHQHJ-NEPJUHHUSA-N 2 1 252.362 0.228 10 0 CCAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1CCOCC1 ZINC000054627964 527147181 /nfs/dbraw/zinc/14/71/81/527147181.db2.gz NVQMRBBLFGVZNI-AGUYFDCRSA-N 2 1 253.390 0.663 10 0 CCAEMP [NH3+]CCC[N@@H+]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000061670884 527180631 /nfs/dbraw/zinc/18/06/31/527180631.db2.gz NCAKNDNBPIDQEA-UHFFFAOYSA-N 2 1 269.389 0.296 10 0 CCAEMP [NH3+]CCC[N@H+]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000061670884 527180634 /nfs/dbraw/zinc/18/06/34/527180634.db2.gz NCAKNDNBPIDQEA-UHFFFAOYSA-N 2 1 269.389 0.296 10 0 CCAEMP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000262577339 535757866 /nfs/dbraw/zinc/75/78/66/535757866.db2.gz OXUJJBSARYDATF-JSGCOSHPSA-N 2 1 271.405 0.419 10 0 CCAEMP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)C2 ZINC000888097891 614281376 /nfs/dbraw/zinc/28/13/76/614281376.db2.gz SEXNDHUWLRFQFH-KBUPBQIOSA-N 2 1 293.415 0.384 10 0 CCAEMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)C2 ZINC000888097891 614281378 /nfs/dbraw/zinc/28/13/78/614281378.db2.gz SEXNDHUWLRFQFH-KBUPBQIOSA-N 2 1 293.415 0.384 10 0 CCAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000262049918 622635521 /nfs/dbraw/zinc/63/55/21/622635521.db2.gz ZOHXDDNWNSKXAB-CHWFTXMASA-N 2 1 282.306 0.656 10 0 CCAEMP COCCOCCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000311853682 623806972 /nfs/dbraw/zinc/80/69/72/623806972.db2.gz SXNCADBQCJWKRR-BFHYXJOUSA-N 2 1 272.389 0.335 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250478938 631546475 /nfs/dbraw/zinc/54/64/75/631546475.db2.gz VCOHXALWIGBPSO-RYUDHWBXSA-N 2 1 255.362 0.047 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250478938 631546485 /nfs/dbraw/zinc/54/64/85/631546485.db2.gz VCOHXALWIGBPSO-RYUDHWBXSA-N 2 1 255.362 0.047 10 0 CCAEMP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000091622048 349470525 /nfs/dbraw/zinc/47/05/25/349470525.db2.gz ITUIJMZFOFQEHF-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000091622048 349470527 /nfs/dbraw/zinc/47/05/27/349470527.db2.gz ITUIJMZFOFQEHF-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000093342607 349539584 /nfs/dbraw/zinc/53/95/84/349539584.db2.gz TYXXNECPYLTMOG-DOMZBBRYSA-N 2 1 295.427 0.432 10 0 CCAEMP [NH3+]C[C@@H]([NH3+])CCCNC(=O)OCc1ccccc1 ZINC000096102692 185097829 /nfs/dbraw/zinc/09/78/29/185097829.db2.gz PDAKZXYYLRSAQA-LBPRGKRZSA-N 2 1 251.330 0.979 10 0 CCAEMP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC000261884594 137024428 /nfs/dbraw/zinc/02/44/28/137024428.db2.gz PRTPKOKQNOJTQK-CQSZACIVSA-N 2 1 295.427 0.875 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000263292610 137062889 /nfs/dbraw/zinc/06/28/89/137062889.db2.gz VVNJHIUBSBOXMM-NHYWBVRUSA-N 2 1 290.342 0.681 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000263317277 137063804 /nfs/dbraw/zinc/06/38/04/137063804.db2.gz ZRKBYPRNVBTTTB-CMPLNLGQSA-N 2 1 298.770 0.781 10 0 CCAEMP C[N@@H+](C[C@@H](O)CN1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000310923217 137073176 /nfs/dbraw/zinc/07/31/76/137073176.db2.gz HMYIOFKZJQSJGH-ZIAGYGMSSA-N 2 1 253.390 0.222 10 0 CCAEMP C[NH+](C[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310923217 137073177 /nfs/dbraw/zinc/07/31/77/137073177.db2.gz HMYIOFKZJQSJGH-ZIAGYGMSSA-N 2 1 253.390 0.222 10 0 CCAEMP C[NH+](C[C@@H](O)CN1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310923217 137073178 /nfs/dbraw/zinc/07/31/78/137073178.db2.gz HMYIOFKZJQSJGH-ZIAGYGMSSA-N 2 1 253.390 0.222 10 0 CCAEMP CC[NH+](CC)CCN(C)C(=O)N1CC[NH+](C)CC1 ZINC000003599668 347985463 /nfs/dbraw/zinc/98/54/63/347985463.db2.gz HOKNYJLFVBZSSP-UHFFFAOYSA-N 2 1 256.394 0.627 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000178335255 351228395 /nfs/dbraw/zinc/22/83/95/351228395.db2.gz ZYJFBMGOWPYXRF-CABCVRRESA-N 2 1 289.383 0.914 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000178335255 351228397 /nfs/dbraw/zinc/22/83/97/351228397.db2.gz ZYJFBMGOWPYXRF-CABCVRRESA-N 2 1 289.383 0.914 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)C(F)(F)F)CC1 ZINC000181689458 351331855 /nfs/dbraw/zinc/33/18/55/351331855.db2.gz PNRFODHIORXHFT-PWSUYJOCSA-N 2 1 298.349 0.934 10 0 CCAEMP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000188729762 351621723 /nfs/dbraw/zinc/62/17/23/351621723.db2.gz CMBPQYMDBMQDRK-NWDGAFQWSA-N 2 1 255.337 0.241 10 0 CCAEMP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245431104 352323031 /nfs/dbraw/zinc/32/30/31/352323031.db2.gz NXCKILWJQAKNQI-KGLIPLIRSA-N 2 1 282.432 0.352 10 0 CCAEMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245431104 352323033 /nfs/dbraw/zinc/32/30/33/352323033.db2.gz NXCKILWJQAKNQI-KGLIPLIRSA-N 2 1 282.432 0.352 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247230127 352404802 /nfs/dbraw/zinc/40/48/02/352404802.db2.gz MQBCFLWYADXMIU-KGLIPLIRSA-N 2 1 298.431 0.443 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247230127 352404805 /nfs/dbraw/zinc/40/48/05/352404805.db2.gz MQBCFLWYADXMIU-KGLIPLIRSA-N 2 1 298.431 0.443 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247230127 352404809 /nfs/dbraw/zinc/40/48/09/352404809.db2.gz MQBCFLWYADXMIU-KGLIPLIRSA-N 2 1 298.431 0.443 10 0 CCAEMP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178303839 189104364 /nfs/dbraw/zinc/10/43/64/189104364.db2.gz GKEBBOMXHZUSJO-NEPJUHHUSA-N 2 1 250.346 0.920 10 0 CCAEMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178303839 189104365 /nfs/dbraw/zinc/10/43/65/189104365.db2.gz GKEBBOMXHZUSJO-NEPJUHHUSA-N 2 1 250.346 0.920 10 0 CCAEMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841381 370707896 /nfs/dbraw/zinc/70/78/96/370707896.db2.gz JZMJHOKDKMBFFB-SDDRHHMPSA-N 2 1 257.378 0.054 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](CC[NH3+])CC1 ZINC000616596053 365377599 /nfs/dbraw/zinc/37/75/99/365377599.db2.gz XSWAPRSTJQVBAD-GFCCVEGCSA-N 2 1 287.404 0.951 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC2CC2)CC1 ZINC000105862470 296181309 /nfs/dbraw/zinc/18/13/09/296181309.db2.gz WTSIKJDPEDYHMP-CYBMUJFWSA-N 2 1 297.443 0.537 10 0 CCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333362648 205256556 /nfs/dbraw/zinc/25/65/56/205256556.db2.gz LIEORQLMXGCCAB-CHWSQXEVSA-N 2 1 268.405 0.770 10 0 CCAEMP [NH3+]C[C@]1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCOC1 ZINC000638087328 374646901 /nfs/dbraw/zinc/64/69/01/374646901.db2.gz QZKNPARNLKQNBA-DZGCQCFKSA-N 2 1 281.400 0.439 10 0 CCAEMP [NH3+]C[C@]1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCCOC1 ZINC000638087328 374646909 /nfs/dbraw/zinc/64/69/09/374646909.db2.gz QZKNPARNLKQNBA-DZGCQCFKSA-N 2 1 281.400 0.439 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638107410 374674369 /nfs/dbraw/zinc/67/43/69/374674369.db2.gz FHGUNQHESBVDII-QWHCGFSZSA-N 2 1 251.374 0.977 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(C[NH3+])nc1 ZINC000638108727 374676642 /nfs/dbraw/zinc/67/66/42/374676642.db2.gz NVMPDSGNYLRBDQ-LBPRGKRZSA-N 2 1 277.372 0.492 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638110038 374678173 /nfs/dbraw/zinc/67/81/73/374678173.db2.gz ZMUZCSVJVJAKIB-GRYCIOLGSA-N 2 1 255.362 0.045 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000638109917 374678877 /nfs/dbraw/zinc/67/88/77/374678877.db2.gz ZOAJIUIMCXPFAC-OBJOEFQTSA-N 2 1 267.373 0.060 10 0 CCAEMP COCCC1(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000638528765 375118519 /nfs/dbraw/zinc/11/85/19/375118519.db2.gz RRXSSDQOZRFGLV-CYBMUJFWSA-N 2 1 283.416 0.603 10 0 CCAEMP 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CC[NH+](C)C[C@H](O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000394041185 329095779 /nfs/dbraw/zinc/09/57/79/329095779.db2.gz FCJIGLUKOCYLKV-MCIONIFRSA-N 2 1 255.406 0.468 10 0 CCAEMP CCOC(=O)[C@](C)([NH3+])CCN1CCC[C@@H]1C[NH+](C)C ZINC000061653015 521326660 /nfs/dbraw/zinc/32/66/60/521326660.db2.gz QJDWSEVCILLXIB-TZMCWYRMSA-N 2 1 271.405 0.683 10 0 CCAEMP CC[C@H](C)[NH+]1CCN(CC[C@@H]([NH3+])C(=O)OC)CC1 ZINC000062532058 523954691 /nfs/dbraw/zinc/95/46/91/523954691.db2.gz LJJFWYDRYNVDEM-NWDGAFQWSA-N 2 1 257.378 0.293 10 0 CCAEMP C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C[C@@H]1[NH3+] ZINC000055130376 524558836 /nfs/dbraw/zinc/55/88/36/524558836.db2.gz ARKZBTSNEZUQOS-XQHKEYJVSA-N 2 1 253.390 0.818 10 0 CCAEMP C[C@](C[NH3+])(C[NH+](CCO)CCO)c1ccccc1 ZINC000051250083 525137061 /nfs/dbraw/zinc/13/70/61/525137061.db2.gz HNYJOOLRRCIOTR-AWEZNQCLSA-N 2 1 252.358 0.190 10 0 CCAEMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000049557533 525595173 /nfs/dbraw/zinc/59/51/73/525595173.db2.gz QWAFFTSKRRSLBR-NWDGAFQWSA-N 2 1 257.378 0.164 10 0 CCAEMP [NH3+]Cc1cn(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000052573149 527262499 /nfs/dbraw/zinc/26/24/99/527262499.db2.gz UZWNSMGCTGWWSW-QWHCGFSZSA-N 2 1 265.361 0.380 10 0 CCAEMP [NH3+]Cc1cn(CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000052573149 527262505 /nfs/dbraw/zinc/26/25/05/527262505.db2.gz UZWNSMGCTGWWSW-QWHCGFSZSA-N 2 1 265.361 0.380 10 0 CCAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1OC ZINC000263195723 535675837 /nfs/dbraw/zinc/67/58/37/535675837.db2.gz IKEGDHBVGVBUFR-CHWSQXEVSA-N 2 1 280.368 0.764 10 0 CCAEMP CCN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263184947 535764650 /nfs/dbraw/zinc/76/46/50/535764650.db2.gz HEPICUSHYZIBNZ-OLZOCXBDSA-N 2 1 264.373 0.208 10 0 CCAEMP COCCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263313380 536730846 /nfs/dbraw/zinc/73/08/46/536730846.db2.gz ZCHZSJPPPURUNK-KGLIPLIRSA-N 2 1 280.368 0.382 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000117470116 349886780 /nfs/dbraw/zinc/88/67/80/349886780.db2.gz PEQUEUCFQHOCEH-CYBMUJFWSA-N 2 1 298.431 0.443 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000117470116 349886781 /nfs/dbraw/zinc/88/67/81/349886781.db2.gz PEQUEUCFQHOCEH-CYBMUJFWSA-N 2 1 298.431 0.443 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000252671443 137003885 /nfs/dbraw/zinc/00/38/85/137003885.db2.gz VTWUVVPYPVUMHW-TZMCWYRMSA-N 2 1 287.379 0.257 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@H+]1CCOC ZINC000252671443 137003886 /nfs/dbraw/zinc/00/38/86/137003886.db2.gz VTWUVVPYPVUMHW-TZMCWYRMSA-N 2 1 287.379 0.257 10 0 CCAEMP CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000262352917 137039794 /nfs/dbraw/zinc/03/97/94/137039794.db2.gz JIUOYSDRXMZVSY-CYBMUJFWSA-N 2 1 283.416 0.411 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1scnc1C1CC1 ZINC000263177678 137059827 /nfs/dbraw/zinc/05/98/27/137059827.db2.gz GIMLXTTXBONUCL-ZJUUUORDSA-N 2 1 253.371 0.690 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000262174661 137029425 /nfs/dbraw/zinc/02/94/25/137029425.db2.gz VPCWLEZNJNEMJX-DOMZBBRYSA-N 2 1 272.352 0.747 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccncc2)n1 ZINC000262188775 137030333 /nfs/dbraw/zinc/03/03/33/137030333.db2.gz YAGSPIPMHVMLPT-JSGCOSHPSA-N 2 1 287.367 0.152 10 0 CCAEMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1C[NH2+]C1 ZINC000263266558 137062128 /nfs/dbraw/zinc/06/21/28/137062128.db2.gz HJEHMSUNPZTCDA-UHFFFAOYSA-N 2 1 289.379 0.354 10 0 CCAEMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263288407 137063183 /nfs/dbraw/zinc/06/31/83/137063183.db2.gz VJPQHRJMZBOTTP-OCCSQVGLSA-N 2 1 263.341 0.315 10 0 CCAEMP C[N@@H+](C[C@H](O)CN1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000310923214 137073139 /nfs/dbraw/zinc/07/31/39/137073139.db2.gz HMYIOFKZJQSJGH-KGLIPLIRSA-N 2 1 253.390 0.222 10 0 CCAEMP C[NH+](C[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310923214 137073140 /nfs/dbraw/zinc/07/31/40/137073140.db2.gz HMYIOFKZJQSJGH-KGLIPLIRSA-N 2 1 253.390 0.222 10 0 CCAEMP C[NH+](C[C@H](O)CN1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310923214 137073141 /nfs/dbraw/zinc/07/31/41/137073141.db2.gz HMYIOFKZJQSJGH-KGLIPLIRSA-N 2 1 253.390 0.222 10 0 CCAEMP COCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263186993 137060185 /nfs/dbraw/zinc/06/01/85/137060185.db2.gz HLJHQRQOOWWQII-ZFWWWQNUSA-N 2 1 280.368 0.382 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000263222134 137060905 /nfs/dbraw/zinc/06/09/05/137060905.db2.gz MASYJJDPUFFVDN-PWSUYJOCSA-N 2 1 292.408 0.943 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054292201 348548134 /nfs/dbraw/zinc/54/81/34/348548134.db2.gz RPDZOMYCTPPDOJ-QWHCGFSZSA-N 2 1 253.390 0.834 10 0 CCAEMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000091409020 180148336 /nfs/dbraw/zinc/14/83/36/180148336.db2.gz CIAQCEREVIXFRC-HNNXBMFYSA-N 2 1 273.380 0.987 10 0 CCAEMP CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000129718367 350221303 /nfs/dbraw/zinc/22/13/03/350221303.db2.gz KFACAUUMOIGMPV-GFCCVEGCSA-N 2 1 280.416 0.023 10 0 CCAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCn2ccnc2)[C@@H](C)C1 ZINC000130793244 350248592 /nfs/dbraw/zinc/24/85/92/350248592.db2.gz DKMSCYCXLVXKKD-STQMWFEESA-N 2 1 279.388 0.911 10 0 CCAEMP C[C@@H](C(N)=O)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875533 186081935 /nfs/dbraw/zinc/08/19/35/186081935.db2.gz QDVYIPOMPBAERO-JTQLQIEISA-N 2 1 250.346 0.548 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[N@H+]1C ZINC000158098366 350653110 /nfs/dbraw/zinc/65/31/10/350653110.db2.gz JHPDTOHOHHEOAR-FVCCEPFGSA-N 2 1 253.390 0.973 10 0 CCAEMP C(CN1CC[NH+]2CCC[C@@H]2C1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000172656183 351002962 /nfs/dbraw/zinc/00/29/62/351002962.db2.gz ZQNPSEPPMPRVON-IAGOWNOFSA-N 2 1 292.471 0.937 10 0 CCAEMP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000178860814 351249561 /nfs/dbraw/zinc/24/95/61/351249561.db2.gz YQWTXIKPGLNNDX-NEPJUHHUSA-N 2 1 269.389 0.293 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C[C@H]2CCC[NH2+]2)cn1 ZINC000181410794 351317667 /nfs/dbraw/zinc/31/76/67/351317667.db2.gz NHWAPJMKDWFPAB-OLZOCXBDSA-N 2 1 277.372 0.035 10 0 CCAEMP CC(C)[NH2+]CCN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000191485780 351761085 /nfs/dbraw/zinc/76/10/85/351761085.db2.gz QXMZYKGNAZQMFY-UHFFFAOYSA-N 2 1 279.432 0.926 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000236814235 352217831 /nfs/dbraw/zinc/21/78/31/352217831.db2.gz MKXOYTWGXSFUJX-JSGCOSHPSA-N 2 1 283.416 0.826 10 0 CCAEMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236826015 352219023 /nfs/dbraw/zinc/21/90/23/352219023.db2.gz XVCDUSGBGDWNIP-OLZOCXBDSA-N 2 1 269.389 0.211 10 0 CCAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236826015 352219028 /nfs/dbraw/zinc/21/90/28/352219028.db2.gz XVCDUSGBGDWNIP-OLZOCXBDSA-N 2 1 269.389 0.211 10 0 CCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)C(C)(C)[NH3+])CC2)CCO1 ZINC000237662650 352277980 /nfs/dbraw/zinc/27/79/80/352277980.db2.gz VUTOWAWVUHWPIZ-NSHDSACASA-N 2 1 269.389 0.435 10 0 CCAEMP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1COCC[NH2+]1 ZINC000238116571 352298914 /nfs/dbraw/zinc/29/89/14/352298914.db2.gz XRTJKNNYJKMXJJ-CYBMUJFWSA-N 2 1 269.389 0.403 10 0 CCAEMP C[C@@H](C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000248950227 352468870 /nfs/dbraw/zinc/46/88/70/352468870.db2.gz AZVGDCPAJNFJPZ-UPJWGTAASA-N 2 1 283.416 0.681 10 0 CCAEMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000333012301 354744202 /nfs/dbraw/zinc/74/42/02/354744202.db2.gz BLLYTUZJONOFGQ-RYUDHWBXSA-N 2 1 262.357 0.971 10 0 CCAEMP CN1CCC[C@H]1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000333012301 354744203 /nfs/dbraw/zinc/74/42/03/354744203.db2.gz BLLYTUZJONOFGQ-RYUDHWBXSA-N 2 1 262.357 0.971 10 0 CCAEMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000336231451 213060326 /nfs/dbraw/zinc/06/03/26/213060326.db2.gz JJAWLCNFVHUWGR-YPMHNXCESA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000336231451 213060329 /nfs/dbraw/zinc/06/03/29/213060329.db2.gz JJAWLCNFVHUWGR-YPMHNXCESA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631837223 370702169 /nfs/dbraw/zinc/70/21/69/370702169.db2.gz PHJPFQCQPRGZLZ-MNOVXSKESA-N 2 1 260.403 0.338 10 0 CCAEMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631837223 370702171 /nfs/dbraw/zinc/70/21/71/370702171.db2.gz PHJPFQCQPRGZLZ-MNOVXSKESA-N 2 1 260.403 0.338 10 0 CCAEMP C[C@H]1C[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000631844608 370710317 /nfs/dbraw/zinc/71/03/17/370710317.db2.gz KAFSXNRSUCYCQR-RYUDHWBXSA-N 2 1 287.363 0.809 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333366380 205257122 /nfs/dbraw/zinc/25/71/22/205257122.db2.gz LVCYTKOLOGNHCW-NTZNESFSSA-N 2 1 266.389 0.378 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333450628 205330356 /nfs/dbraw/zinc/33/03/56/205330356.db2.gz XMDIPXUWLKNPHT-YRGRVCCFSA-N 2 1 280.416 0.910 10 0 CCAEMP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334225145 206217032 /nfs/dbraw/zinc/21/70/32/206217032.db2.gz AUGACIPPQCVIAT-RYUDHWBXSA-N 2 1 254.378 0.426 10 0 CCAEMP C[C@]1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[NH2+]CCO1 ZINC000638087203 374647197 /nfs/dbraw/zinc/64/71/97/374647197.db2.gz OWDUGPPPNRDUHB-TZMCWYRMSA-N 2 1 267.373 0.062 10 0 CCAEMP C[C@]1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[NH2+]CCO1 ZINC000638087203 374647202 /nfs/dbraw/zinc/64/72/02/374647202.db2.gz OWDUGPPPNRDUHB-TZMCWYRMSA-N 2 1 267.373 0.062 10 0 CCAEMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392933687 285206751 /nfs/dbraw/zinc/20/67/51/285206751.db2.gz LNEZQJBPLXMMSM-LOWDOPEQSA-N 2 1 251.374 0.870 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245443391 389208455 /nfs/dbraw/zinc/20/84/55/389208455.db2.gz XCVAHNSMNGZYAO-OLZOCXBDSA-N 2 1 271.405 0.242 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245443391 389208458 /nfs/dbraw/zinc/20/84/58/389208458.db2.gz XCVAHNSMNGZYAO-OLZOCXBDSA-N 2 1 271.405 0.242 10 0 CCAEMP CC[C@@H](C(=O)OC)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247168662 389236949 /nfs/dbraw/zinc/23/69/49/389236949.db2.gz MSHZPXYIVKWPPC-JSGCOSHPSA-N 2 1 286.416 0.963 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747055 389619823 /nfs/dbraw/zinc/61/98/23/389619823.db2.gz ORNJNBGKNSDISV-CHWSQXEVSA-N 2 1 251.374 0.811 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305919 390565842 /nfs/dbraw/zinc/56/58/42/390565842.db2.gz LYAVWGXBSATFCT-QWRGUYRKSA-N 2 1 275.343 0.832 10 0 CCAEMP CC[N@@H+](CCNC(=O)[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000649318565 390575358 /nfs/dbraw/zinc/57/53/58/390575358.db2.gz WGWZAURECCNFNK-AWEZNQCLSA-N 2 1 269.389 0.356 10 0 CCAEMP CC[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000168006542 287133085 /nfs/dbraw/zinc/13/30/85/287133085.db2.gz YKKADAVBEBJOJC-UKRRQHHQSA-N 2 1 297.443 0.680 10 0 CCAEMP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(O)CC1 ZINC000022218624 171376830 /nfs/dbraw/zinc/37/68/30/171376830.db2.gz BEAPQYMOWXWBNI-NSHDSACASA-N 2 1 277.368 0.929 10 0 CCAEMP CNc1[nH+]cnc(N(C)C2CC[NH+](C)CC2)c1N ZINC000040707134 174379523 /nfs/dbraw/zinc/37/95/23/174379523.db2.gz OZUCVDIQNRGSQE-UHFFFAOYSA-N 2 1 250.350 0.631 10 0 CCAEMP CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263415 176096478 /nfs/dbraw/zinc/09/64/78/176096478.db2.gz NLRRWHNDFUUVAE-ZDUSSCGKSA-N 2 1 265.332 0.995 10 0 CCAEMP CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263415 176096480 /nfs/dbraw/zinc/09/64/80/176096480.db2.gz NLRRWHNDFUUVAE-ZDUSSCGKSA-N 2 1 265.332 0.995 10 0 CCAEMP O[C@]1(C[NH+]2CCC(Oc3ccncc3)CC2)CC[NH2+]C1 ZINC000077320089 177251563 /nfs/dbraw/zinc/25/15/63/177251563.db2.gz WKKDISQIAQZFQH-OAHLLOKOSA-N 2 1 277.368 0.649 10 0 CCAEMP OCC[NH+]1CCN([C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241175 545873579 /nfs/dbraw/zinc/87/35/79/545873579.db2.gz ATDYVNBAPGEWBY-KBPBESRZSA-N 2 1 253.390 0.223 10 0 CCAEMP OCC[NH+]1CCN([C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000725241175 545873584 /nfs/dbraw/zinc/87/35/84/545873584.db2.gz ATDYVNBAPGEWBY-KBPBESRZSA-N 2 1 253.390 0.223 10 0 CCAEMP COCc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262132636 544941227 /nfs/dbraw/zinc/94/12/27/544941227.db2.gz OFUVGFGMZYHLOF-KGLIPLIRSA-N 2 1 250.342 0.503 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)[C@H]2C1 ZINC000333817396 545043255 /nfs/dbraw/zinc/04/32/55/545043255.db2.gz KIFBYMJMGVFQRF-UPJWGTAASA-N 2 1 266.389 0.459 10 0 CCAEMP CSC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000187879722 261795189 /nfs/dbraw/zinc/79/51/89/261795189.db2.gz ICDWFCMBJMJLED-OCCSQVGLSA-N 2 1 290.473 0.735 10 0 CCAEMP CCN(CC)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862058 276316995 /nfs/dbraw/zinc/31/69/95/276316995.db2.gz BGAUNVCXEZMVGX-CQSZACIVSA-N 2 1 299.459 0.879 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647567 279294866 /nfs/dbraw/zinc/29/48/66/279294866.db2.gz WLGYVODHKMJMBG-JHJVBQTASA-N 2 1 253.390 0.975 10 0 CCAEMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)CCCCCC[NH3+])cn1 ZINC000181413728 294299664 /nfs/dbraw/zinc/29/96/64/294299664.db2.gz DHZDBRPGGJCPHA-CQSZACIVSA-N 2 1 293.415 0.802 10 0 CCAEMP C[C@]1(C(=O)NCC[N@H+]2CC=CCC2)CCCC[NH2+]1 ZINC000392923014 329066026 /nfs/dbraw/zinc/06/60/26/329066026.db2.gz PEOAUHVDLZFBCO-CQSZACIVSA-N 2 1 251.374 0.897 10 0 CCAEMP C[C@]1(C(=O)NCC[N@@H+]2CC=CCC2)CCCC[NH2+]1 ZINC000392923014 329066028 /nfs/dbraw/zinc/06/60/28/329066028.db2.gz PEOAUHVDLZFBCO-CQSZACIVSA-N 2 1 251.374 0.897 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000576827158 335252941 /nfs/dbraw/zinc/25/29/41/335252941.db2.gz WBFSDEANNMMFLP-FRRDWIJNSA-N 2 1 253.390 0.642 10 0 CCAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)CCOC)nn1 ZINC000052572866 519960585 /nfs/dbraw/zinc/96/05/85/519960585.db2.gz GOWKYBVDCGOGSD-UHFFFAOYSA-N 2 1 255.366 0.356 10 0 CCAEMP CC[NH+](CC)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567609 520737180 /nfs/dbraw/zinc/73/71/80/520737180.db2.gz DZXUCUJOYHAONX-MGPQQGTHSA-N 2 1 255.406 0.515 10 0 CCAEMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049557550 521742189 /nfs/dbraw/zinc/74/21/89/521742189.db2.gz QQBSPJQLSXHTCR-ZJUUUORDSA-N 2 1 258.366 0.150 10 0 CCAEMP C[C@H](C[NH3+])C[N@H+]1CCCN(c2nccn2C)CC1 ZINC000050605367 524307306 /nfs/dbraw/zinc/30/73/06/524307306.db2.gz JUTQTHRDNKEVRN-GFCCVEGCSA-N 2 1 251.378 0.527 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261690537 535638817 /nfs/dbraw/zinc/63/88/17/535638817.db2.gz KSMJVNKPHCDMNQ-KBPBESRZSA-N 2 1 296.459 0.598 10 0 CCAEMP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973809 637190116 /nfs/dbraw/zinc/19/01/16/637190116.db2.gz MHHPBOWDYOMEAR-AWEZNQCLSA-N 2 1 253.390 0.535 10 0 CCAEMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973809 637190121 /nfs/dbraw/zinc/19/01/21/637190121.db2.gz MHHPBOWDYOMEAR-AWEZNQCLSA-N 2 1 253.390 0.535 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000094460232 349567780 /nfs/dbraw/zinc/56/77/80/349567780.db2.gz FNUQPIUVJCKFIF-BZPMIXESSA-N 2 1 251.374 0.824 10 0 CCAEMP C[NH+](C)[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000333262208 282267703 /nfs/dbraw/zinc/26/77/03/282267703.db2.gz FVKXEHRPJGDVGT-KGLIPLIRSA-N 2 1 298.431 0.491 10 0 CCAEMP C[C@H](C[NH3+])C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000262479127 137044594 /nfs/dbraw/zinc/04/45/94/137044594.db2.gz ZESZZAJEUFAQGZ-VXGBXAGGSA-N 2 1 269.389 0.293 10 0 CCAEMP CC1(C)C[N@@H+](CCC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000261751163 137018150 /nfs/dbraw/zinc/01/81/50/137018150.db2.gz QCZROWQJLFGNSL-LBPRGKRZSA-N 2 1 269.389 0.295 10 0 CCAEMP C[C@H]([NH3+])CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000261864623 137023241 /nfs/dbraw/zinc/02/32/41/137023241.db2.gz PYKNCWCKGXPRJV-RYUDHWBXSA-N 2 1 269.389 0.435 10 0 CCAEMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC000263312532 137063675 /nfs/dbraw/zinc/06/36/75/137063675.db2.gz YXKVSRWTNSKMQF-ZFWWWQNUSA-N 2 1 289.379 0.266 10 0 CCAEMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875584 186082029 /nfs/dbraw/zinc/08/20/29/186082029.db2.gz GPTUXZBLBYVHOA-JTQLQIEISA-N 2 1 293.371 0.258 10 0 CCAEMP CCC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000162234123 350739180 /nfs/dbraw/zinc/73/91/80/350739180.db2.gz XBRVHOFCWWIHMY-KBPBESRZSA-N 2 1 285.432 0.801 10 0 CCAEMP CC[N@@H+](CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000170836418 350866939 /nfs/dbraw/zinc/86/69/39/350866939.db2.gz NYOGOSDIRBNHTL-CYBMUJFWSA-N 2 1 268.405 0.816 10 0 CCAEMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[N@@H+](C)C1CC1 ZINC000220175607 351971942 /nfs/dbraw/zinc/97/19/42/351971942.db2.gz IXNUGDGOCWPKSL-NQBHXWOUSA-N 2 1 253.390 0.973 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227456939 352050828 /nfs/dbraw/zinc/05/08/28/352050828.db2.gz FNUQPIUVJCKFIF-YRGRVCCFSA-N 2 1 251.374 0.824 10 0 CCAEMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299744097 354043769 /nfs/dbraw/zinc/04/37/69/354043769.db2.gz QWGZYFOSNYGDAD-CQSZACIVSA-N 2 1 294.399 0.530 10 0 CCAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000333911336 354814722 /nfs/dbraw/zinc/81/47/22/354814722.db2.gz FCMKZKGVJQKLND-YNEHKIRRSA-N 2 1 268.405 0.707 10 0 CCAEMP C[N@@H+](C[C@H](O)CN1CC[NH+]2CCCC[C@H]2C1)C1CC1 ZINC000336811388 355185847 /nfs/dbraw/zinc/18/58/47/355185847.db2.gz MSSVFMFAQKTQII-GJZGRUSLSA-N 2 1 267.417 0.612 10 0 CCAEMP C[NH+](C[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1)C1CC1 ZINC000336811388 355185849 /nfs/dbraw/zinc/18/58/49/355185849.db2.gz MSSVFMFAQKTQII-GJZGRUSLSA-N 2 1 267.417 0.612 10 0 CCAEMP C[NH+](C[C@H](O)CN1CC[N@H+]2CCCC[C@H]2C1)C1CC1 ZINC000336811388 355185851 /nfs/dbraw/zinc/18/58/51/355185851.db2.gz MSSVFMFAQKTQII-GJZGRUSLSA-N 2 1 267.417 0.612 10 0 CCAEMP C[N@@H+](C[C@@H](O)CN1CC[NH+]2CCCC[C@H]2C1)C1CC1 ZINC000336811390 355185964 /nfs/dbraw/zinc/18/59/64/355185964.db2.gz MSSVFMFAQKTQII-LSDHHAIUSA-N 2 1 267.417 0.612 10 0 CCAEMP C[NH+](C[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1)C1CC1 ZINC000336811390 355185966 /nfs/dbraw/zinc/18/59/66/355185966.db2.gz MSSVFMFAQKTQII-LSDHHAIUSA-N 2 1 267.417 0.612 10 0 CCAEMP C[NH+](C[C@@H](O)CN1CC[N@H+]2CCCC[C@H]2C1)C1CC1 ZINC000336811390 355185969 /nfs/dbraw/zinc/18/59/69/355185969.db2.gz MSSVFMFAQKTQII-LSDHHAIUSA-N 2 1 267.417 0.612 10 0 CCAEMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000335939213 283109951 /nfs/dbraw/zinc/10/99/51/283109951.db2.gz TZVPGAUEWCVVRF-QWHCGFSZSA-N 2 1 251.374 0.635 10 0 CCAEMP C[NH+]1CC[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000335939213 283109955 /nfs/dbraw/zinc/10/99/55/283109955.db2.gz TZVPGAUEWCVVRF-QWHCGFSZSA-N 2 1 251.374 0.635 10 0 CCAEMP C[NH+]1CC[C@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000335939213 283109959 /nfs/dbraw/zinc/10/99/59/283109959.db2.gz TZVPGAUEWCVVRF-QWHCGFSZSA-N 2 1 251.374 0.635 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000631843460 370710328 /nfs/dbraw/zinc/71/03/28/370710328.db2.gz OGPSMOBPQDKFAB-UMSGYPCISA-N 2 1 269.389 0.149 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000631843460 370710332 /nfs/dbraw/zinc/71/03/32/370710332.db2.gz OGPSMOBPQDKFAB-UMSGYPCISA-N 2 1 269.389 0.149 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1)[NH+](C)C ZINC000246971018 285039081 /nfs/dbraw/zinc/03/90/81/285039081.db2.gz JKIGACADMZVGFG-MELADBBJSA-N 2 1 285.432 0.630 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1)[NH+](C)C ZINC000246971018 285039084 /nfs/dbraw/zinc/03/90/84/285039084.db2.gz JKIGACADMZVGFG-MELADBBJSA-N 2 1 285.432 0.630 10 0 CCAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000251830111 285149969 /nfs/dbraw/zinc/14/99/69/285149969.db2.gz PLVDYYUQKUDLMA-RVMXOQNASA-N 2 1 251.374 0.680 10 0 CCAEMP CC(C)[C@](C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000187182701 388870685 /nfs/dbraw/zinc/87/06/85/388870685.db2.gz DYYQJQMGMHEPAQ-GDBMZVCRSA-N 2 1 297.443 0.632 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000105269527 389085356 /nfs/dbraw/zinc/08/53/56/389085356.db2.gz NJAMLIJDTHDSAZ-WCQYABFASA-N 2 1 268.405 0.815 10 0 CCAEMP CCOC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862711 389088887 /nfs/dbraw/zinc/08/88/87/389088887.db2.gz DJRCBKYSOVXGLW-CHWSQXEVSA-N 2 1 286.416 0.963 10 0 CCAEMP CCOC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862711 389088889 /nfs/dbraw/zinc/08/88/89/389088889.db2.gz DJRCBKYSOVXGLW-CHWSQXEVSA-N 2 1 286.416 0.963 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(C)(C)O)CC1 ZINC000105903239 389089301 /nfs/dbraw/zinc/08/93/01/389089301.db2.gz DZKAQRKZBDNJRU-LBPRGKRZSA-N 2 1 258.406 0.782 10 0 CCAEMP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000194179025 389090528 /nfs/dbraw/zinc/09/05/28/389090528.db2.gz KHVQIHLCKWTSMQ-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000194179025 389090530 /nfs/dbraw/zinc/09/05/30/389090530.db2.gz KHVQIHLCKWTSMQ-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328209138 389127237 /nfs/dbraw/zinc/12/72/37/389127237.db2.gz UWIIZCGXOXCCAX-HZSPNIEDSA-N 2 1 261.369 0.925 10 0 CCAEMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328209138 389127239 /nfs/dbraw/zinc/12/72/39/389127239.db2.gz UWIIZCGXOXCCAX-HZSPNIEDSA-N 2 1 261.369 0.925 10 0 CCAEMP C[NH+](C)C[C@@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132340833 389223061 /nfs/dbraw/zinc/22/30/61/389223061.db2.gz QUALQCIKXIYSEL-RYUDHWBXSA-N 2 1 287.404 0.508 10 0 CCAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132340833 389223065 /nfs/dbraw/zinc/22/30/65/389223065.db2.gz QUALQCIKXIYSEL-RYUDHWBXSA-N 2 1 287.404 0.508 10 0 CCAEMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649298100 390558477 /nfs/dbraw/zinc/55/84/77/390558477.db2.gz QNSLYKSRAGPNCR-SWLSCSKDSA-N 2 1 281.400 0.356 10 0 CCAEMP COC[C@]1(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000649319600 390577586 /nfs/dbraw/zinc/57/75/86/390577586.db2.gz IJUONTUGMNDRNN-FZMZJTMJSA-N 2 1 269.389 0.354 10 0 CCAEMP CN1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000657695933 413049849 /nfs/dbraw/zinc/04/98/49/413049849.db2.gz QKAVVIUAXIDRMD-XQQFMLRXSA-N 2 1 251.374 0.681 10 0 CCAEMP [NH3+]C1CCC(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000037812664 397387092 /nfs/dbraw/zinc/38/70/92/397387092.db2.gz MLYKLZYTQACEJE-BPCQOVAHSA-N 2 1 251.374 0.811 10 0 CCAEMP C(C[N@H+]1CC[C@H](N2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000062980317 411687829 /nfs/dbraw/zinc/68/78/29/411687829.db2.gz GFRNTWSOJYLPCH-GJZGRUSLSA-N 2 1 267.417 0.783 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000111267221 411702483 /nfs/dbraw/zinc/70/24/83/411702483.db2.gz CFQITPGNQMGOFI-NTZNESFSSA-N 2 1 251.374 0.442 10 0 CCAEMP C[NH+]1CCN(C(=O)COc2ccc(C[NH3+])cc2)CC1 ZINC000022144074 171355923 /nfs/dbraw/zinc/35/59/23/171355923.db2.gz FERXKYBRBNEQSY-UHFFFAOYSA-N 2 1 263.341 0.298 10 0 CCAEMP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000653118422 412227278 /nfs/dbraw/zinc/22/72/78/412227278.db2.gz LJLVDBOIBKQISU-GMTAPVOTSA-N 2 1 291.317 0.691 10 0 CCAEMP CN1CCN(C(C)(C)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000038040774 174041325 /nfs/dbraw/zinc/04/13/25/174041325.db2.gz YFPIKXQNAZSPIG-UHFFFAOYSA-N 2 1 254.422 0.354 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662620780 414733696 /nfs/dbraw/zinc/73/36/96/414733696.db2.gz BEPWRIDZAKCBKQ-NWDGAFQWSA-N 2 1 253.390 0.975 10 0 CCAEMP C(CN1CC[N@H+]2CCCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000227374738 544834461 /nfs/dbraw/zinc/83/44/61/544834461.db2.gz DUNHQFDIXLDBLY-CQSZACIVSA-N 2 1 252.406 0.062 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250347695 544921967 /nfs/dbraw/zinc/92/19/67/544921967.db2.gz QRZZMLAQNMBMJH-YNEHKIRRSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC[N@H+]1C ZINC000252087108 544928607 /nfs/dbraw/zinc/92/86/07/544928607.db2.gz GQJWKDCJRLGSNV-YVECIDJPSA-N 2 1 253.390 0.960 10 0 CCAEMP C[C@@H](C(N)=O)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305069 278217788 /nfs/dbraw/zinc/21/77/88/278217788.db2.gz CGWKHCIUZFUMJK-XQQFMLRXSA-N 2 1 283.416 0.681 10 0 CCAEMP CC1(NC(=O)[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC000335989744 278469125 /nfs/dbraw/zinc/46/91/25/278469125.db2.gz BEUPEKKXMNWQHX-VIFPVBQESA-N 2 1 261.316 0.490 10 0 CCAEMP CC(C)C[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000164388683 279158008 /nfs/dbraw/zinc/15/80/08/279158008.db2.gz XQUWRZQASKFPIQ-DZGCQCFKSA-N 2 1 297.443 0.705 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000335285042 279293872 /nfs/dbraw/zinc/29/38/72/279293872.db2.gz HZNXJSRMPNMECX-GFCCVEGCSA-N 2 1 254.378 0.476 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000333658649 290152254 /nfs/dbraw/zinc/15/22/54/290152254.db2.gz LEMSJNUYKULFTM-AAVRWANBSA-N 2 1 280.416 0.992 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000389540351 545086798 /nfs/dbraw/zinc/08/67/98/545086798.db2.gz FQMBZDPBAPSPLH-RWMBFGLXSA-N 2 1 253.390 0.962 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000381166827 327134685 /nfs/dbraw/zinc/13/46/85/327134685.db2.gz URDKFGCSLDCMCK-KGLIPLIRSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000381166827 327134686 /nfs/dbraw/zinc/13/46/86/327134686.db2.gz URDKFGCSLDCMCK-KGLIPLIRSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000381166827 327134688 /nfs/dbraw/zinc/13/46/88/327134688.db2.gz URDKFGCSLDCMCK-KGLIPLIRSA-N 2 1 255.406 0.469 10 0 CCAEMP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000052395822 522438771 /nfs/dbraw/zinc/43/87/71/522438771.db2.gz FDQKFCQHZOSWGR-OCCSQVGLSA-N 2 1 261.369 0.985 10 0 CCAEMP CC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C3CC3)CC2)O1 ZINC000052371388 519955882 /nfs/dbraw/zinc/95/58/82/519955882.db2.gz UJEPSQAZRODQKI-LSDHHAIUSA-N 2 1 267.417 0.924 10 0 CCAEMP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1C ZINC000157847712 524916516 /nfs/dbraw/zinc/91/65/16/524916516.db2.gz UIYFQJSWQRUVJT-QCNOEVLYSA-N 2 1 255.362 0.092 10 0 CCAEMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173913980 536503732 /nfs/dbraw/zinc/50/37/32/536503732.db2.gz GXQHAZDCHQYHBV-CYBMUJFWSA-N 2 1 286.420 0.300 10 0 CCAEMP OCCC[C@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000310558903 625452224 /nfs/dbraw/zinc/45/22/24/625452224.db2.gz JFEJSPYRTYYCPG-ZIAGYGMSSA-N 2 1 256.390 0.680 10 0 CCAEMP OCCC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310558903 625452230 /nfs/dbraw/zinc/45/22/30/625452230.db2.gz JFEJSPYRTYYCPG-ZIAGYGMSSA-N 2 1 256.390 0.680 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CCCCCC[NH3+])C[C@@H]1C ZINC000167977101 636986724 /nfs/dbraw/zinc/98/67/24/636986724.db2.gz PERLGQYCWNBHCB-UONOGXRCSA-N 2 1 285.432 0.809 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@@H]2CCOC2=O)CC1 ZINC000120474407 645348040 /nfs/dbraw/zinc/34/80/40/645348040.db2.gz XCFDVAKFBLTFCY-DZGCQCFKSA-N 2 1 298.427 0.964 10 0 CCAEMP C(Cc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685583 649709816 /nfs/dbraw/zinc/70/98/16/649709816.db2.gz ZQZSPVVTYMUOMG-RYUDHWBXSA-N 2 1 278.356 0.900 10 0 CCAEMP C(Cc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685583 649709820 /nfs/dbraw/zinc/70/98/20/649709820.db2.gz ZQZSPVVTYMUOMG-RYUDHWBXSA-N 2 1 278.356 0.900 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686409 649709830 /nfs/dbraw/zinc/70/98/30/649709830.db2.gz DIBHEBFRMZMSFB-KKOKHZNYSA-N 2 1 278.356 0.928 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686409 649709832 /nfs/dbraw/zinc/70/98/32/649709832.db2.gz DIBHEBFRMZMSFB-KKOKHZNYSA-N 2 1 278.356 0.928 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252562415 649828730 /nfs/dbraw/zinc/82/87/30/649828730.db2.gz WWHAVNLGGVGYLV-XUXIUFHCSA-N 2 1 281.400 0.341 10 0 CCAEMP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000091622049 349470553 /nfs/dbraw/zinc/47/05/53/349470553.db2.gz ITUIJMZFOFQEHF-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000091622049 349470557 /nfs/dbraw/zinc/47/05/57/349470557.db2.gz ITUIJMZFOFQEHF-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334225142 282218466 /nfs/dbraw/zinc/21/84/66/282218466.db2.gz AUGACIPPQCVIAT-NWDGAFQWSA-N 2 1 254.378 0.426 10 0 CCAEMP COC(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000601326469 362223708 /nfs/dbraw/zinc/22/37/08/362223708.db2.gz NUXJJKPOQZBQAB-ZYHUDNBSSA-N 2 1 263.341 0.895 10 0 CCAEMP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000601326469 362223715 /nfs/dbraw/zinc/22/37/15/362223715.db2.gz NUXJJKPOQZBQAB-ZYHUDNBSSA-N 2 1 263.341 0.895 10 0 CCAEMP Cc1cccn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cnc12 ZINC000263146672 137059277 /nfs/dbraw/zinc/05/92/77/137059277.db2.gz CUGXSJDMUQDXIK-DGCLKSJQSA-N 2 1 260.341 0.313 10 0 CCAEMP C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000262265933 137033733 /nfs/dbraw/zinc/03/37/33/137033733.db2.gz RZGIYODULLFFBF-SWLSCSKDSA-N 2 1 273.380 0.985 10 0 CCAEMP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)[N@@H+](C)Cc1ccccc1 ZINC000262326887 137038503 /nfs/dbraw/zinc/03/85/03/137038503.db2.gz GFMPPVCXJWJXMN-BPLDGKMQSA-N 2 1 291.395 0.203 10 0 CCAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263251908 137061578 /nfs/dbraw/zinc/06/15/78/137061578.db2.gz QBLRBBYPCQUDAE-JQWIXIFHSA-N 2 1 254.305 0.504 10 0 CCAEMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263256261 137061954 /nfs/dbraw/zinc/06/19/54/137061954.db2.gz QMPNBRCMKCTKOP-QMTHXVAHSA-N 2 1 266.389 0.215 10 0 CCAEMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1C[NH2+]C1 ZINC000263335102 137064186 /nfs/dbraw/zinc/06/41/86/137064186.db2.gz WBMOKKDYILRGNE-HNNXBMFYSA-N 2 1 287.407 0.887 10 0 CCAEMP COc1ccc(C[NH2+]CCC[NH2+]CCO)c(OC)c1OC ZINC000013733064 348030405 /nfs/dbraw/zinc/03/04/05/348030405.db2.gz GBSLMVNYWDLVIO-UHFFFAOYSA-N 2 1 298.383 0.774 10 0 CCAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037825979 348211632 /nfs/dbraw/zinc/21/16/32/348211632.db2.gz RZHILAHYCAHBTR-GJZGRUSLSA-N 2 1 297.443 0.680 10 0 CCAEMP CCCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000252321424 535100872 /nfs/dbraw/zinc/10/08/72/535100872.db2.gz AOCFWYLDKQYKIZ-UONOGXRCSA-N 2 1 299.459 0.926 10 0 CCAEMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000123700799 350080843 /nfs/dbraw/zinc/08/08/43/350080843.db2.gz WCWKDDZWQSYTFL-LBPRGKRZSA-N 2 1 276.384 0.953 10 0 CCAEMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000123700799 350080845 /nfs/dbraw/zinc/08/08/45/350080845.db2.gz WCWKDDZWQSYTFL-LBPRGKRZSA-N 2 1 276.384 0.953 10 0 CCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261710659 535112628 /nfs/dbraw/zinc/11/26/28/535112628.db2.gz JFMGRSRKECWANO-QLFBSQMISA-N 2 1 297.443 0.834 10 0 CCAEMP CCC[C@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+](C)C ZINC000184077878 351401901 /nfs/dbraw/zinc/40/19/01/351401901.db2.gz PRSBHUGDQQAHDD-LSDHHAIUSA-N 2 1 298.475 0.859 10 0 CCAEMP C[N@@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000188759922 351626450 /nfs/dbraw/zinc/62/64/50/351626450.db2.gz ZDVNAOBQHQYXNX-CMPLNLGQSA-N 2 1 257.353 0.677 10 0 CCAEMP CCC[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)[NH+](C)C ZINC000189365840 351673144 /nfs/dbraw/zinc/67/31/44/351673144.db2.gz JFXRFJABPWKBBR-ZDUSSCGKSA-N 2 1 271.405 0.555 10 0 CCAEMP CCC[C@@H](C(=O)NCC[N@H+]1CCCOCC1)[NH+](C)C ZINC000189365840 351673146 /nfs/dbraw/zinc/67/31/46/351673146.db2.gz JFXRFJABPWKBBR-ZDUSSCGKSA-N 2 1 271.405 0.555 10 0 CCAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000225554179 352009372 /nfs/dbraw/zinc/00/93/72/352009372.db2.gz RZHILAHYCAHBTR-HUUCEWRRSA-N 2 1 297.443 0.680 10 0 CCAEMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246186779 352352598 /nfs/dbraw/zinc/35/25/98/352352598.db2.gz CRRCSGYOGNPDQZ-QWHCGFSZSA-N 2 1 269.389 0.165 10 0 CCAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246186779 352352603 /nfs/dbraw/zinc/35/26/03/352352603.db2.gz CRRCSGYOGNPDQZ-QWHCGFSZSA-N 2 1 269.389 0.165 10 0 CCAEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246714361 352380873 /nfs/dbraw/zinc/38/08/73/352380873.db2.gz KXYTUFVMWNYEER-RRFJBIMHSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246714361 352380876 /nfs/dbraw/zinc/38/08/76/352380876.db2.gz KXYTUFVMWNYEER-RRFJBIMHSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246714361 352380877 /nfs/dbraw/zinc/38/08/77/352380877.db2.gz KXYTUFVMWNYEER-RRFJBIMHSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246714361 352380880 /nfs/dbraw/zinc/38/08/80/352380880.db2.gz KXYTUFVMWNYEER-RRFJBIMHSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247556678 352420604 /nfs/dbraw/zinc/42/06/04/352420604.db2.gz QXEUUDXHMFHPQE-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247556678 352420609 /nfs/dbraw/zinc/42/06/09/352420609.db2.gz QXEUUDXHMFHPQE-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247556678 352420614 /nfs/dbraw/zinc/42/06/14/352420614.db2.gz QXEUUDXHMFHPQE-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000248336272 352435131 /nfs/dbraw/zinc/43/51/31/352435131.db2.gz GYFHLWTUTUQEME-OAHLLOKOSA-N 2 1 267.417 0.879 10 0 CCAEMP C(CN1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000248336272 352435132 /nfs/dbraw/zinc/43/51/32/352435132.db2.gz GYFHLWTUTUQEME-OAHLLOKOSA-N 2 1 267.417 0.879 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250633647 352507231 /nfs/dbraw/zinc/50/72/31/352507231.db2.gz RPDZOMYCTPPDOJ-OLZOCXBDSA-N 2 1 253.390 0.834 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000251833286 352511411 /nfs/dbraw/zinc/51/14/11/352511411.db2.gz PSNCRBOWNGNBOK-AVGNSLFASA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1([NH3+])CCOCC1 ZINC000252691956 352522747 /nfs/dbraw/zinc/52/27/47/352522747.db2.gz ZNLMAECVIXDORZ-STQMWFEESA-N 2 1 281.400 0.580 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1([NH3+])CCOCC1 ZINC000252691956 352522752 /nfs/dbraw/zinc/52/27/52/352522752.db2.gz ZNLMAECVIXDORZ-STQMWFEESA-N 2 1 281.400 0.580 10 0 CCAEMP CC[C@H](C)NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333768638 354790400 /nfs/dbraw/zinc/79/04/00/354790400.db2.gz DXYCYWVKCMERRG-MJBXVCDLSA-N 2 1 295.427 0.602 10 0 CCAEMP O=C(NC[C@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335305575 354993201 /nfs/dbraw/zinc/99/32/01/354993201.db2.gz QSLATJVYJNDHOO-STQMWFEESA-N 2 1 266.389 0.476 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842872 370707318 /nfs/dbraw/zinc/70/73/18/370707318.db2.gz GZTYIQNXSKLVHA-AAEUAGOBSA-N 2 1 279.359 0.969 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842872 370707325 /nfs/dbraw/zinc/70/73/25/370707325.db2.gz GZTYIQNXSKLVHA-AAEUAGOBSA-N 2 1 279.359 0.969 10 0 CCAEMP C[C@@H]1C[N@@H+](CCn2nc3ccccn3c2=O)C[C@H]1C[NH3+] ZINC000631841656 370708236 /nfs/dbraw/zinc/70/82/36/370708236.db2.gz NMUJTXJRWBENQE-VXGBXAGGSA-N 2 1 275.356 0.023 10 0 CCAEMP C[NH+](C)CC1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000615505183 364986906 /nfs/dbraw/zinc/98/69/06/364986906.db2.gz OFKDAEFHCVUDSX-UHFFFAOYSA-N 2 1 276.384 0.782 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333366381 205257310 /nfs/dbraw/zinc/25/73/10/205257310.db2.gz LVCYTKOLOGNHCW-WZRBSPASSA-N 2 1 266.389 0.378 10 0 CCAEMP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334225146 206218020 /nfs/dbraw/zinc/21/80/20/206218020.db2.gz AUGACIPPQCVIAT-VXGBXAGGSA-N 2 1 254.378 0.426 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638528478 375118025 /nfs/dbraw/zinc/11/80/25/375118025.db2.gz INWMHLHRYVKGPT-OPRDCNLKSA-N 2 1 279.306 0.595 10 0 CCAEMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904652 389100065 /nfs/dbraw/zinc/10/00/65/389100065.db2.gz CWOWVMRDUZHDLM-KBPBESRZSA-N 2 1 256.390 0.678 10 0 CCAEMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904652 389100066 /nfs/dbraw/zinc/10/00/66/389100066.db2.gz CWOWVMRDUZHDLM-KBPBESRZSA-N 2 1 256.390 0.678 10 0 CCAEMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904652 389100067 /nfs/dbraw/zinc/10/00/67/389100067.db2.gz CWOWVMRDUZHDLM-KBPBESRZSA-N 2 1 256.390 0.678 10 0 CCAEMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904652 389100069 /nfs/dbraw/zinc/10/00/69/389100069.db2.gz CWOWVMRDUZHDLM-KBPBESRZSA-N 2 1 256.390 0.678 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000311945948 389105832 /nfs/dbraw/zinc/10/58/32/389105832.db2.gz KKRFWOMGETURPI-ILXRZTDVSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000311945948 389105833 /nfs/dbraw/zinc/10/58/33/389105833.db2.gz KKRFWOMGETURPI-ILXRZTDVSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[C@H](O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161938054 389411653 /nfs/dbraw/zinc/41/16/53/389411653.db2.gz CFHSOVJCHIRUSE-CABCVRRESA-N 2 1 269.433 0.859 10 0 CCAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000170861616 389466374 /nfs/dbraw/zinc/46/63/74/389466374.db2.gz UAWCXXJAUSYBPK-CYBMUJFWSA-N 2 1 284.404 0.054 10 0 CCAEMP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)[N@@H+]1CCO ZINC000333658666 389438623 /nfs/dbraw/zinc/43/86/23/389438623.db2.gz LESOSSDRDCIWRQ-HZSPNIEDSA-N 2 1 298.431 0.225 10 0 CCAEMP COC[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043325 285339107 /nfs/dbraw/zinc/33/91/07/285339107.db2.gz GASGIQCNPZWSLG-JSGCOSHPSA-N 2 1 283.416 0.696 10 0 CCAEMP COC[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043325 285339108 /nfs/dbraw/zinc/33/91/08/285339108.db2.gz GASGIQCNPZWSLG-JSGCOSHPSA-N 2 1 283.416 0.696 10 0 CCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181409749 389685183 /nfs/dbraw/zinc/68/51/83/389685183.db2.gz RHLUWGOYKIXMQA-VXGBXAGGSA-N 2 1 265.361 0.020 10 0 CCAEMP CCc1nc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n[nH]1 ZINC000181689763 389691472 /nfs/dbraw/zinc/69/14/72/389691472.db2.gz SNPAHBJZOCBCMF-LBPRGKRZSA-N 2 1 295.431 0.892 10 0 CCAEMP CC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000381437942 389765013 /nfs/dbraw/zinc/76/50/13/389765013.db2.gz VYXRUVZTQASHQN-YPMHNXCESA-N 2 1 269.389 0.211 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000649311353 390569777 /nfs/dbraw/zinc/56/97/77/390569777.db2.gz JRXKDOJQCDNCES-UKRRQHHQSA-N 2 1 281.400 0.452 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000649311353 390569779 /nfs/dbraw/zinc/56/97/79/390569779.db2.gz JRXKDOJQCDNCES-UKRRQHHQSA-N 2 1 281.400 0.452 10 0 CCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649318492 390575280 /nfs/dbraw/zinc/57/52/80/390575280.db2.gz PCRILRMCOVZELK-VXGBXAGGSA-N 2 1 257.378 0.069 10 0 CCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000389083884 397509063 /nfs/dbraw/zinc/50/90/63/397509063.db2.gz LXMNPWFWPGQFRA-QLFBSQMISA-N 2 1 270.417 0.926 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000389083884 397509067 /nfs/dbraw/zinc/50/90/67/397509067.db2.gz LXMNPWFWPGQFRA-QLFBSQMISA-N 2 1 270.417 0.926 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000389083884 397509069 /nfs/dbraw/zinc/50/90/69/397509069.db2.gz LXMNPWFWPGQFRA-QLFBSQMISA-N 2 1 270.417 0.926 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000389083884 397509073 /nfs/dbraw/zinc/50/90/73/397509073.db2.gz LXMNPWFWPGQFRA-QLFBSQMISA-N 2 1 270.417 0.926 10 0 CCAEMP C[NH+]1CCN(CCC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022152294 171359617 /nfs/dbraw/zinc/35/96/17/171359617.db2.gz HTODMBVWAGOXQD-UHFFFAOYSA-N 2 1 276.384 0.721 10 0 CCAEMP NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022173410 171369342 /nfs/dbraw/zinc/36/93/42/171369342.db2.gz NNXSVIZOGYQGLD-GFCCVEGCSA-N 2 1 290.367 0.281 10 0 CCAEMP NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022173410 171369344 /nfs/dbraw/zinc/36/93/44/171369344.db2.gz NNXSVIZOGYQGLD-GFCCVEGCSA-N 2 1 290.367 0.281 10 0 CCAEMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112457 412223469 /nfs/dbraw/zinc/22/34/69/412223469.db2.gz ZEKFNUYPTVITPG-OPRDCNLKSA-N 2 1 279.306 0.595 10 0 CCAEMP CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000037539329 173260195 /nfs/dbraw/zinc/26/01/95/173260195.db2.gz KHYQOEIWFQDPIO-SECBINFHSA-N 2 1 256.350 0.034 10 0 CCAEMP CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000037539329 173260197 /nfs/dbraw/zinc/26/01/97/173260197.db2.gz KHYQOEIWFQDPIO-SECBINFHSA-N 2 1 256.350 0.034 10 0 CCAEMP C[C@H](c1ccc(O)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030887 174023035 /nfs/dbraw/zinc/02/30/35/174023035.db2.gz UYDFXTBHBZKUFU-GFCCVEGCSA-N 2 1 277.368 0.817 10 0 CCAEMP COCCN(CCC(N)=[NH2+])c1cc(C)[nH+]c(C)n1 ZINC000071229270 176091018 /nfs/dbraw/zinc/09/10/18/176091018.db2.gz GTDIMTJTULALCF-UHFFFAOYSA-N 2 1 251.334 0.872 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000194145213 544808922 /nfs/dbraw/zinc/80/89/22/544808922.db2.gz CKCWNQNSUNICSP-ZIAGYGMSSA-N 2 1 298.431 0.491 10 0 CCAEMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261622370 544936005 /nfs/dbraw/zinc/93/60/05/544936005.db2.gz AWLUUPJLFWYXMK-HUUCEWRRSA-N 2 1 297.443 0.931 10 0 CCAEMP CC(C)(C)OC(=O)N1CCC([NH+]2CC([C@H]([NH3+])CO)C2)CC1 ZINC000090410979 277181022 /nfs/dbraw/zinc/18/10/22/277181022.db2.gz GGTBLAXNVIUSMZ-CYBMUJFWSA-N 2 1 299.415 0.637 10 0 CCAEMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000358249640 277184130 /nfs/dbraw/zinc/18/41/30/277184130.db2.gz KRECWCBCOLLPTN-BYNQJWBRSA-N 2 1 254.374 0.456 10 0 CCAEMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000358249640 277184131 /nfs/dbraw/zinc/18/41/31/277184131.db2.gz KRECWCBCOLLPTN-BYNQJWBRSA-N 2 1 254.374 0.456 10 0 CCAEMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606557 277198068 /nfs/dbraw/zinc/19/80/68/277198068.db2.gz PZYVIDQHBKLXMX-XQQFMLRXSA-N 2 1 264.369 0.966 10 0 CCAEMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606557 277198069 /nfs/dbraw/zinc/19/80/69/277198069.db2.gz PZYVIDQHBKLXMX-XQQFMLRXSA-N 2 1 264.369 0.966 10 0 CCAEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606557 277198070 /nfs/dbraw/zinc/19/80/70/277198070.db2.gz PZYVIDQHBKLXMX-XQQFMLRXSA-N 2 1 264.369 0.966 10 0 CCAEMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606557 277198072 /nfs/dbraw/zinc/19/80/72/277198072.db2.gz PZYVIDQHBKLXMX-XQQFMLRXSA-N 2 1 264.369 0.966 10 0 CCAEMP COC[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000173681866 277257591 /nfs/dbraw/zinc/25/75/91/277257591.db2.gz JQQRIQHJOARJGF-HOTGVXAUSA-N 2 1 299.459 0.748 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188738917 279322528 /nfs/dbraw/zinc/32/25/28/279322528.db2.gz SETYIMONKLDBAW-JTQLQIEISA-N 2 1 277.372 0.270 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000388659911 545086451 /nfs/dbraw/zinc/08/64/51/545086451.db2.gz BDUJMFQRNVNPNZ-GJZGRUSLSA-N 2 1 269.433 0.858 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000388659911 545086452 /nfs/dbraw/zinc/08/64/52/545086452.db2.gz BDUJMFQRNVNPNZ-GJZGRUSLSA-N 2 1 269.433 0.858 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000388659911 545086453 /nfs/dbraw/zinc/08/64/53/545086453.db2.gz BDUJMFQRNVNPNZ-GJZGRUSLSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH2+]Cc1cc(CN2CCC[N@@H+](C)CC2)on1 ZINC000052424230 519988676 /nfs/dbraw/zinc/98/86/76/519988676.db2.gz HIFKVFVQTGREIQ-UHFFFAOYSA-N 2 1 252.362 0.922 10 0 CCAEMP CC(C)C[NH+]1CCN(S(=O)(=O)CC[NH2+]C(C)C)CC1 ZINC000055083954 519727101 /nfs/dbraw/zinc/72/71/01/519727101.db2.gz OEYRQWFVPAEVMY-UHFFFAOYSA-N 2 1 291.461 0.588 10 0 CCAEMP CCC[NH2+][C@@H](CC[N@H+](CCOC)[C@@H](C)CC)C(N)=O ZINC000062522867 519999561 /nfs/dbraw/zinc/99/95/61/519999561.db2.gz AVAFKDNVRXOWFA-STQMWFEESA-N 2 1 273.421 0.977 10 0 CCAEMP CCC[NH2+][C@@H](CC[N@@H+](CCOC)[C@@H](C)CC)C(N)=O ZINC000062522867 519999567 /nfs/dbraw/zinc/99/95/67/519999567.db2.gz AVAFKDNVRXOWFA-STQMWFEESA-N 2 1 273.421 0.977 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@@H+](CCOC)C2CC2)nn1 ZINC000052542451 522142795 /nfs/dbraw/zinc/14/27/95/522142795.db2.gz ILBHIZGJRYQFTM-UHFFFAOYSA-N 2 1 253.350 0.108 10 0 CCAEMP CC[C@H]1COCC[N@@H+]1CCn1cc(C[NH2+]C)nn1 ZINC000052481520 523332308 /nfs/dbraw/zinc/33/23/08/523332308.db2.gz OOXGPBNSWJASLZ-LBPRGKRZSA-N 2 1 253.350 0.108 10 0 CCAEMP CC[C@H]1COCC[N@H+]1CCn1cc(C[NH2+]C)nn1 ZINC000052481520 523332318 /nfs/dbraw/zinc/33/23/18/523332318.db2.gz OOXGPBNSWJASLZ-LBPRGKRZSA-N 2 1 253.350 0.108 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000061401434 523596423 /nfs/dbraw/zinc/59/64/23/523596423.db2.gz HAUHXUPPVQWKJJ-RWMBFGLXSA-N 2 1 271.405 0.444 10 0 CCAEMP CC[C@H](C)[NH+]1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000055083920 523956351 /nfs/dbraw/zinc/95/63/51/523956351.db2.gz OEZBZUSVPDNQNR-QWHCGFSZSA-N 2 1 289.445 0.484 10 0 CCAEMP C[C@@H](C[NH3+])CN1CC[NH+](CCn2cccn2)CC1 ZINC000049313897 524584434 /nfs/dbraw/zinc/58/44/34/524584434.db2.gz WJTTUXFWWWCBGH-ZDUSSCGKSA-N 2 1 251.378 0.096 10 0 CCAEMP NS(=O)(=O)CCC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602399 527145595 /nfs/dbraw/zinc/14/55/95/527145595.db2.gz LYHGOUKGCJKOFS-FGWVZKOKSA-N 2 1 261.391 0.009 10 0 CCAEMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263295176 535174151 /nfs/dbraw/zinc/17/41/51/535174151.db2.gz XVCDUSGBGDWNIP-CHWSQXEVSA-N 2 1 269.389 0.211 10 0 CCAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263295176 535174153 /nfs/dbraw/zinc/17/41/53/535174153.db2.gz XVCDUSGBGDWNIP-CHWSQXEVSA-N 2 1 269.389 0.211 10 0 CCAEMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000261897475 535763976 /nfs/dbraw/zinc/76/39/76/535763976.db2.gz ABSOIHMGTDHPLV-KFWWJZLASA-N 2 1 291.395 0.376 10 0 CCAEMP COC1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000680332245 545425761 /nfs/dbraw/zinc/42/57/61/545425761.db2.gz UJRZZOPSRZNWPJ-UHFFFAOYSA-N 2 1 256.390 0.990 10 0 CCAEMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261752844 536876875 /nfs/dbraw/zinc/87/68/75/536876875.db2.gz MWKYUDNSBCDQAJ-FRRDWIJNSA-N 2 1 269.389 0.198 10 0 CCAEMP COc1ccccc1/C=C/C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263143959 536981024 /nfs/dbraw/zinc/98/10/24/536981024.db2.gz CMWKMBIDSVQBJF-IOKDEZFASA-N 2 1 262.353 0.878 10 0 CCAEMP CCCCOC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300312745 614453391 /nfs/dbraw/zinc/45/33/91/614453391.db2.gz KWAZSAQKACYAEY-ZNMIVQPWSA-N 2 1 286.416 0.617 10 0 CCAEMP CCCCOC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300312745 614453393 /nfs/dbraw/zinc/45/33/93/614453393.db2.gz KWAZSAQKACYAEY-ZNMIVQPWSA-N 2 1 286.416 0.617 10 0 CCAEMP CC[N@@H+]1CCO[C@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000134430407 615188774 /nfs/dbraw/zinc/18/87/74/615188774.db2.gz RQEIQSOHRDDGDB-SNVBAGLBSA-N 2 1 251.334 0.500 10 0 CCAEMP CC[N@H+]1CCO[C@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000134430407 615188775 /nfs/dbraw/zinc/18/87/75/615188775.db2.gz RQEIQSOHRDDGDB-SNVBAGLBSA-N 2 1 251.334 0.500 10 0 CCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252862367 624481609 /nfs/dbraw/zinc/48/16/09/624481609.db2.gz NXZHFCSOJWHDCP-CRWXNKLISA-N 2 1 256.390 0.832 10 0 CCAEMP C[C@H]([NH3+])CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000261797411 631615136 /nfs/dbraw/zinc/61/51/36/631615136.db2.gz KVBVDQBDMSBXRJ-DZGCQCFKSA-N 2 1 291.395 0.602 10 0 CCAEMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000227236651 637014753 /nfs/dbraw/zinc/01/47/53/637014753.db2.gz BAFPJFRRUUGVOT-LBPRGKRZSA-N 2 1 254.378 0.764 10 0 CCAEMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000227236651 637014761 /nfs/dbraw/zinc/01/47/61/637014761.db2.gz BAFPJFRRUUGVOT-LBPRGKRZSA-N 2 1 254.378 0.764 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227411527 637025608 /nfs/dbraw/zinc/02/56/08/637025608.db2.gz IEEPUJQHIIYNCI-AVGNSLFASA-N 2 1 269.389 0.435 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000228540440 637062237 /nfs/dbraw/zinc/06/22/37/637062237.db2.gz NDSDUHPTUMWIQV-RAIGVLPGSA-N 2 1 251.374 0.809 10 0 CCAEMP [NH3+][C@H](Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1)C1CC1 ZINC000252538528 649827996 /nfs/dbraw/zinc/82/79/96/649827996.db2.gz ARWGHQNVVUDUBZ-QJPTWQEYSA-N 2 1 278.356 0.885 10 0 CCAEMP [NH3+][C@H](Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1)C1CC1 ZINC000252538528 649827997 /nfs/dbraw/zinc/82/79/97/649827997.db2.gz ARWGHQNVVUDUBZ-QJPTWQEYSA-N 2 1 278.356 0.885 10 0 CCAEMP C[NH+](C)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000237148768 282178821 /nfs/dbraw/zinc/17/88/21/282178821.db2.gz GKGOSMCCDDFJMI-KGLIPLIRSA-N 2 1 283.416 0.602 10 0 CCAEMP COC(=O)c1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000601326467 362223094 /nfs/dbraw/zinc/22/30/94/362223094.db2.gz NUXJJKPOQZBQAB-JQWIXIFHSA-N 2 1 263.341 0.895 10 0 CCAEMP COC(=O)c1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000601326467 362223100 /nfs/dbraw/zinc/22/31/00/362223100.db2.gz NUXJJKPOQZBQAB-JQWIXIFHSA-N 2 1 263.341 0.895 10 0 CCAEMP O=C(COC1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000113705046 349818623 /nfs/dbraw/zinc/81/86/23/349818623.db2.gz NQSIEOOCFRVXDH-LBPRGKRZSA-N 2 1 267.373 0.062 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000245629718 290114006 /nfs/dbraw/zinc/11/40/06/290114006.db2.gz PTFOEAUUNXVBKC-ILXRZTDVSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000262415519 137043069 /nfs/dbraw/zinc/04/30/69/137043069.db2.gz RCTVMVDUXVITRF-YPMHNXCESA-N 2 1 281.404 0.527 10 0 CCAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262655629 137049427 /nfs/dbraw/zinc/04/94/27/137049427.db2.gz CJMHOFOLIOAYJV-MGPQQGTHSA-N 2 1 283.416 0.459 10 0 CCAEMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262316300 137037403 /nfs/dbraw/zinc/03/74/03/137037403.db2.gz QWLZRDGKQXJMGS-NEPJUHHUSA-N 2 1 280.372 0.093 10 0 CCAEMP O=C(NCC[N@@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000263248927 137061933 /nfs/dbraw/zinc/06/19/33/137061933.db2.gz DNAGVEGGNUNWGU-UHFFFAOYSA-N 2 1 265.382 0.442 10 0 CCAEMP O=C(NCC[N@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000263248927 137061934 /nfs/dbraw/zinc/06/19/34/137061934.db2.gz DNAGVEGGNUNWGU-UHFFFAOYSA-N 2 1 265.382 0.442 10 0 CCAEMP CC(C)Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263219911 137060547 /nfs/dbraw/zinc/06/05/47/137060547.db2.gz LRMOEOONIFAICM-OLZOCXBDSA-N 2 1 252.362 0.209 10 0 CCAEMP C[C@H](CNC(=O)C1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000263227261 137060790 /nfs/dbraw/zinc/06/07/90/137060790.db2.gz AHCUSYPJZWNFNS-GFCCVEGCSA-N 2 1 273.380 0.769 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263227137 137060862 /nfs/dbraw/zinc/06/08/62/137060862.db2.gz MYGPDMIFZGBYBR-JSGCOSHPSA-N 2 1 250.342 0.755 10 0 CCAEMP [NH3+]CC(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000001660232 347959760 /nfs/dbraw/zinc/95/97/60/347959760.db2.gz TVIBXBMIJHCVIK-UHFFFAOYSA-N 2 1 261.369 0.722 10 0 CCAEMP CO[C@@H]1C[C@H](CO)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000344683488 137207666 /nfs/dbraw/zinc/20/76/66/137207666.db2.gz UXBVJUJBXKTAOJ-ZIAGYGMSSA-N 2 1 256.390 0.944 10 0 CCAEMP CO[C@@H]1C[C@H](CO)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000344683488 137207667 /nfs/dbraw/zinc/20/76/67/137207667.db2.gz UXBVJUJBXKTAOJ-ZIAGYGMSSA-N 2 1 256.390 0.944 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000054307973 348549663 /nfs/dbraw/zinc/54/96/63/348549663.db2.gz TXLJWMOFVZQARW-CHWSQXEVSA-N 2 1 251.374 0.683 10 0 CCAEMP Cc1ncsc1CN(C)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000104447050 186004614 /nfs/dbraw/zinc/00/46/14/186004614.db2.gz JTBKYIUNQWFKEE-GFCCVEGCSA-N 2 1 254.403 0.916 10 0 CCAEMP Cc1ncsc1CN(C)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000104447050 186004616 /nfs/dbraw/zinc/00/46/16/186004616.db2.gz JTBKYIUNQWFKEE-GFCCVEGCSA-N 2 1 254.403 0.916 10 0 CCAEMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875588 186081630 /nfs/dbraw/zinc/08/16/30/186081630.db2.gz GPTUXZBLBYVHOA-SNVBAGLBSA-N 2 1 293.371 0.258 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1)[NH+](C)C ZINC000152487195 350530862 /nfs/dbraw/zinc/53/08/62/350530862.db2.gz IVOQRFVKGZWTSK-ZIAGYGMSSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1)[NH+](C)C ZINC000152487195 350530866 /nfs/dbraw/zinc/53/08/66/350530866.db2.gz IVOQRFVKGZWTSK-ZIAGYGMSSA-N 2 1 285.432 0.896 10 0 CCAEMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262677630 535139153 /nfs/dbraw/zinc/13/91/53/535139153.db2.gz TZWBBLWYWWWLMP-CHWSQXEVSA-N 2 1 269.389 0.069 10 0 CCAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262677630 535139160 /nfs/dbraw/zinc/13/91/60/535139160.db2.gz TZWBBLWYWWWLMP-CHWSQXEVSA-N 2 1 269.389 0.069 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1)[NH+](C)C ZINC000163389661 350765239 /nfs/dbraw/zinc/76/52/39/350765239.db2.gz JKIGACADMZVGFG-HZSPNIEDSA-N 2 1 285.432 0.630 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1)[NH+](C)C ZINC000163389661 350765240 /nfs/dbraw/zinc/76/52/40/350765240.db2.gz JKIGACADMZVGFG-HZSPNIEDSA-N 2 1 285.432 0.630 10 0 CCAEMP CCC[NH+]1CCC(CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000165862916 350793987 /nfs/dbraw/zinc/79/39/87/350793987.db2.gz DDFUEEVHGLQZPJ-CYBMUJFWSA-N 2 1 269.389 0.213 10 0 CCAEMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188778709 351626951 /nfs/dbraw/zinc/62/69/51/351626951.db2.gz XRUOJABVVXIAJY-NWDGAFQWSA-N 2 1 268.336 0.788 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237513565 352269098 /nfs/dbraw/zinc/26/90/98/352269098.db2.gz CJMHOFOLIOAYJV-MJBXVCDLSA-N 2 1 283.416 0.459 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237513565 352269102 /nfs/dbraw/zinc/26/91/02/352269102.db2.gz CJMHOFOLIOAYJV-MJBXVCDLSA-N 2 1 283.416 0.459 10 0 CCAEMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000246513415 352370798 /nfs/dbraw/zinc/37/07/98/352370798.db2.gz QSKLOODRYZGCMB-UONOGXRCSA-N 2 1 283.416 0.746 10 0 CCAEMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000246513415 352370802 /nfs/dbraw/zinc/37/08/02/352370802.db2.gz QSKLOODRYZGCMB-UONOGXRCSA-N 2 1 283.416 0.746 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247475498 352415895 /nfs/dbraw/zinc/41/58/95/352415895.db2.gz ICJGBDQFUFNZQJ-ZDUSSCGKSA-N 2 1 284.404 0.054 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247475498 352415897 /nfs/dbraw/zinc/41/58/97/352415897.db2.gz ICJGBDQFUFNZQJ-ZDUSSCGKSA-N 2 1 284.404 0.054 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247475498 352415899 /nfs/dbraw/zinc/41/58/99/352415899.db2.gz ICJGBDQFUFNZQJ-ZDUSSCGKSA-N 2 1 284.404 0.054 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000178326764 189107355 /nfs/dbraw/zinc/10/73/55/189107355.db2.gz VAEOHPMOBXNYHW-ZDUSSCGKSA-N 2 1 262.357 0.935 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000178326764 189107356 /nfs/dbraw/zinc/10/73/56/189107356.db2.gz VAEOHPMOBXNYHW-ZDUSSCGKSA-N 2 1 262.357 0.935 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843240 370708142 /nfs/dbraw/zinc/70/81/42/370708142.db2.gz LEBOFSXCSAIZAX-NEPJUHHUSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843240 370708144 /nfs/dbraw/zinc/70/81/44/370708144.db2.gz LEBOFSXCSAIZAX-NEPJUHHUSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000631843461 370710412 /nfs/dbraw/zinc/71/04/12/370710412.db2.gz OGPSMOBPQDKFAB-WUHRBBMRSA-N 2 1 269.389 0.149 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000631843461 370710414 /nfs/dbraw/zinc/71/04/14/370710414.db2.gz OGPSMOBPQDKFAB-WUHRBBMRSA-N 2 1 269.389 0.149 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333450625 205329979 /nfs/dbraw/zinc/32/99/79/205329979.db2.gz XMDIPXUWLKNPHT-BZPMIXESSA-N 2 1 280.416 0.910 10 0 CCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000333466041 205345484 /nfs/dbraw/zinc/34/54/84/205345484.db2.gz ZYDYMUCOPCJMEJ-CHWSQXEVSA-N 2 1 268.405 0.849 10 0 CCAEMP [NH3+]C[C@]1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCOC1 ZINC000638087330 374645931 /nfs/dbraw/zinc/64/59/31/374645931.db2.gz QZKNPARNLKQNBA-UKRRQHHQSA-N 2 1 281.400 0.439 10 0 CCAEMP [NH3+]C[C@]1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCCOC1 ZINC000638087330 374645941 /nfs/dbraw/zinc/64/59/41/374645941.db2.gz QZKNPARNLKQNBA-UKRRQHHQSA-N 2 1 281.400 0.439 10 0 CCAEMP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)CC[N@H+]1C ZINC000247080837 285042566 /nfs/dbraw/zinc/04/25/66/285042566.db2.gz OWJJQEPWRUQMSI-RBSFLKMASA-N 3 1 269.433 0.906 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C ZINC000261639124 285045747 /nfs/dbraw/zinc/04/57/47/285045747.db2.gz CJKTXLUFRNVNAP-BFHYXJOUSA-N 2 1 283.416 0.541 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C ZINC000261639124 285045748 /nfs/dbraw/zinc/04/57/48/285045748.db2.gz CJKTXLUFRNVNAP-BFHYXJOUSA-N 2 1 283.416 0.541 10 0 CCAEMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338346 389000360 /nfs/dbraw/zinc/00/03/60/389000360.db2.gz CDPCJMGZBJLQRD-AWEZNQCLSA-N 2 1 281.400 0.404 10 0 CCAEMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338346 389000362 /nfs/dbraw/zinc/00/03/62/389000362.db2.gz CDPCJMGZBJLQRD-AWEZNQCLSA-N 2 1 281.400 0.404 10 0 CCAEMP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000194179010 389090503 /nfs/dbraw/zinc/09/05/03/389090503.db2.gz KHVQIHLCKWTSMQ-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000194179010 389090505 /nfs/dbraw/zinc/09/05/05/389090505.db2.gz KHVQIHLCKWTSMQ-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1([NH3+])CCCC1 ZINC000094459939 389040395 /nfs/dbraw/zinc/04/03/95/389040395.db2.gz PCFYPMWVUGBZBJ-NWDGAFQWSA-N 2 1 251.374 0.953 10 0 CCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262584223 389289653 /nfs/dbraw/zinc/28/96/53/389289653.db2.gz RSVZQQGRFCBCJN-MELADBBJSA-N 2 1 285.432 0.713 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000263212669 389297849 /nfs/dbraw/zinc/29/78/49/389297849.db2.gz KLGCPLRMOPSDCK-YGRLFVJLSA-N 2 1 290.342 0.886 10 0 CCAEMP CC[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000173676525 389507536 /nfs/dbraw/zinc/50/75/36/389507536.db2.gz QYNOFZJREIUHCG-CVEARBPZSA-N 2 1 299.459 0.486 10 0 CCAEMP CC[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000173676525 389507539 /nfs/dbraw/zinc/50/75/39/389507539.db2.gz QYNOFZJREIUHCG-CVEARBPZSA-N 2 1 299.459 0.486 10 0 CCAEMP CS(=O)(=O)CCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000647908188 390214959 /nfs/dbraw/zinc/21/49/59/390214959.db2.gz FULNZNDDNUCDCL-QJPTWQEYSA-N 2 1 260.403 0.480 10 0 CCAEMP CS(=O)(=O)CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000647908188 390214961 /nfs/dbraw/zinc/21/49/61/390214961.db2.gz FULNZNDDNUCDCL-QJPTWQEYSA-N 2 1 260.403 0.480 10 0 CCAEMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000649333338 390590327 /nfs/dbraw/zinc/59/03/27/390590327.db2.gz NCXDJFBZWUAYCB-SCRDCRAPSA-N 2 1 269.389 0.354 10 0 CCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)COCC[NH3+] ZINC000309731496 411745478 /nfs/dbraw/zinc/74/54/78/411745478.db2.gz PHCMFHGRLDDLRO-CYBMUJFWSA-N 2 1 279.384 0.598 10 0 CCAEMP NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022220946 171377763 /nfs/dbraw/zinc/37/77/63/171377763.db2.gz DFJDLWQWTZAUMA-UHFFFAOYSA-N 2 1 290.367 0.281 10 0 CCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc2C1 ZINC000038031133 174025368 /nfs/dbraw/zinc/02/53/68/174025368.db2.gz ZINPPMIBRCDYHG-MRXNPFEDSA-N 2 1 287.407 0.908 10 0 CCAEMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C1CC1 ZINC000038043033 174049211 /nfs/dbraw/zinc/04/92/11/174049211.db2.gz OKXRDYBIBZKRQW-ZDUSSCGKSA-N 2 1 251.374 0.824 10 0 CCAEMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)C1CC1 ZINC000038043033 174049213 /nfs/dbraw/zinc/04/92/13/174049213.db2.gz OKXRDYBIBZKRQW-ZDUSSCGKSA-N 2 1 251.374 0.824 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264149 414702493 /nfs/dbraw/zinc/70/24/93/414702493.db2.gz RLQZXRCZYZTPQP-ZIAGYGMSSA-N 2 1 267.417 0.924 10 0 CCAEMP CCN1CCC[C@@H]1C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264149 414702494 /nfs/dbraw/zinc/70/24/94/414702494.db2.gz RLQZXRCZYZTPQP-ZIAGYGMSSA-N 2 1 267.417 0.924 10 0 CCAEMP CCN1CCC[C@@H]1C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264149 414702495 /nfs/dbraw/zinc/70/24/95/414702495.db2.gz RLQZXRCZYZTPQP-ZIAGYGMSSA-N 2 1 267.417 0.924 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662738728 414750616 /nfs/dbraw/zinc/75/06/16/414750616.db2.gz YIXFSTLARDNONW-LPWJVIDDSA-N 2 1 251.374 0.809 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662461068 414720238 /nfs/dbraw/zinc/72/02/38/414720238.db2.gz YWAZXMRVTQNVID-XQQFMLRXSA-N 2 1 251.374 0.681 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662845072 414836841 /nfs/dbraw/zinc/83/68/41/414836841.db2.gz DGUBDCPMYZFZPQ-OLZOCXBDSA-N 2 1 283.416 0.459 10 0 CCAEMP CCN1CCN([C@H](CC[NH3+])C[NH+]2CCCC2)CC1 ZINC000076658673 177047644 /nfs/dbraw/zinc/04/76/44/177047644.db2.gz BJJIOHSGOMOCIH-CQSZACIVSA-N 2 1 254.422 0.437 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000054307687 544442755 /nfs/dbraw/zinc/44/27/55/544442755.db2.gz UAVAWCXYCGNEGS-CABCVRRESA-N 2 1 295.427 0.699 10 0 CCAEMP CC(C)[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCOCC1 ZINC000136310400 544637230 /nfs/dbraw/zinc/63/72/30/544637230.db2.gz RMDHSBBTHMTJBA-LBPRGKRZSA-N 2 1 257.378 0.198 10 0 CCAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C ZINC000178774514 544748163 /nfs/dbraw/zinc/74/81/63/544748163.db2.gz DQXNUOYJMHZURL-VXGBXAGGSA-N 2 1 269.389 0.171 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C ZINC000178774514 544748167 /nfs/dbraw/zinc/74/81/67/544748167.db2.gz DQXNUOYJMHZURL-VXGBXAGGSA-N 2 1 269.389 0.171 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000262129373 544940262 /nfs/dbraw/zinc/94/02/62/544940262.db2.gz NOBMRCMZOMMZIA-UKRRQHHQSA-N 2 1 272.352 0.542 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000262117642 544941027 /nfs/dbraw/zinc/94/10/27/544941027.db2.gz LLNVHELHCQLQFG-PWSUYJOCSA-N 2 1 272.295 0.958 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000246736937 279392496 /nfs/dbraw/zinc/39/24/96/279392496.db2.gz AUNHAAHOUQODSG-IHRRRGAJSA-N 2 1 283.416 0.552 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000246736937 279392499 /nfs/dbraw/zinc/39/24/99/279392499.db2.gz AUNHAAHOUQODSG-IHRRRGAJSA-N 2 1 283.416 0.552 10 0 CCAEMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000246736937 279392503 /nfs/dbraw/zinc/39/25/03/279392503.db2.gz AUNHAAHOUQODSG-IHRRRGAJSA-N 2 1 283.416 0.552 10 0 CCAEMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000246736937 279392505 /nfs/dbraw/zinc/39/25/05/279392505.db2.gz AUNHAAHOUQODSG-IHRRRGAJSA-N 2 1 283.416 0.552 10 0 CCAEMP CC1(C)CN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[C@H]1[NH3+] ZINC000334920397 281187175 /nfs/dbraw/zinc/18/71/75/281187175.db2.gz DWZVFXVNQVWFCZ-WCQYABFASA-N 2 1 280.416 0.992 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000251533869 288304166 /nfs/dbraw/zinc/30/41/66/288304166.db2.gz ALOZUOLBHBCHHU-NDBYEHHHSA-N 2 1 251.374 0.809 10 0 CCAEMP CC1(C)CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC[C@H]1[NH3+] ZINC000336509657 281197380 /nfs/dbraw/zinc/19/73/80/281197380.db2.gz BCOQJPDIXMDHBD-VHSXEESVSA-N 2 1 275.343 0.817 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCCCCC[NH3+])C[C@H]1C ZINC000246489824 290091358 /nfs/dbraw/zinc/09/13/58/290091358.db2.gz PERLGQYCWNBHCB-KGLIPLIRSA-N 2 1 285.432 0.809 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000245629718 290114003 /nfs/dbraw/zinc/11/40/03/290114003.db2.gz PTFOEAUUNXVBKC-ILXRZTDVSA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000245629718 290114004 /nfs/dbraw/zinc/11/40/04/290114004.db2.gz PTFOEAUUNXVBKC-ILXRZTDVSA-N 2 1 269.433 0.858 10 0 CCAEMP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000334155722 303395737 /nfs/dbraw/zinc/39/57/37/303395737.db2.gz WDKXUJYADDMCEP-VHSXEESVSA-N 2 1 261.316 0.571 10 0 CCAEMP CC[NH2+]CC1(C[N@@H+](CCO)C2CC2)CCOCC1 ZINC000052198047 519912860 /nfs/dbraw/zinc/91/28/60/519912860.db2.gz UDFCUAMDQSJXNU-UHFFFAOYSA-N 2 1 256.390 0.849 10 0 CCAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)COC)nn1 ZINC000052511686 519961124 /nfs/dbraw/zinc/96/11/24/519961124.db2.gz OSCBAGZYYJDOPY-GFCCVEGCSA-N 2 1 269.393 0.744 10 0 CCAEMP CCO[C@@H](C[NH3+])CC[N@@H+](CC(N)=O)C1CCCC1 ZINC000062741123 520307509 /nfs/dbraw/zinc/30/75/09/520307509.db2.gz SBUGJZHEZSYNKV-GFCCVEGCSA-N 2 1 257.378 0.470 10 0 CCAEMP C[NH2+]CCS(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000049629958 522014567 /nfs/dbraw/zinc/01/45/67/522014567.db2.gz WWMUFGHRCOJQNK-LBPRGKRZSA-N 2 1 277.434 0.390 10 0 CCAEMP CCC[NH2+]C[C@H]1CCN(CC[N@@H+](C)CCOC)C1 ZINC000061379317 519935898 /nfs/dbraw/zinc/93/58/98/519935898.db2.gz GTULSOQDPKKPJI-CQSZACIVSA-N 2 1 257.422 0.886 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000262280658 522312940 /nfs/dbraw/zinc/31/29/40/522312940.db2.gz LTMIHLZUSHZKDA-GFCCVEGCSA-N 2 1 280.372 0.175 10 0 CCAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000049557531 524476405 /nfs/dbraw/zinc/47/64/05/524476405.db2.gz QWAFFTSKRRSLBR-RYUDHWBXSA-N 2 1 257.378 0.164 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1C ZINC000157847855 525260141 /nfs/dbraw/zinc/26/01/41/525260141.db2.gz UIYFQJSWQRUVJT-KXNHARMFSA-N 2 1 255.362 0.092 10 0 CCAEMP [NH3+]CC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000050523390 527188930 /nfs/dbraw/zinc/18/89/30/527188930.db2.gz LPBJQUXAFFQIQY-GFCCVEGCSA-N 2 1 258.749 0.766 10 0 CCAEMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263312531 536311724 /nfs/dbraw/zinc/31/17/24/536311724.db2.gz YXKVSRWTNSKMQF-UKRRQHHQSA-N 2 1 289.379 0.266 10 0 CCAEMP COC(C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)OC ZINC000136761574 616314485 /nfs/dbraw/zinc/31/44/85/616314485.db2.gz YWFYYNBHGOMGNK-GFCCVEGCSA-N 2 1 274.405 0.630 10 0 CCAEMP O[C@H](CN1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000311254039 623684308 /nfs/dbraw/zinc/68/43/08/623684308.db2.gz QEEVCZXMWCGOST-GJZGRUSLSA-N 2 1 267.417 0.613 10 0 CCAEMP [NH3+]CCCCc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000091686581 649709272 /nfs/dbraw/zinc/70/92/72/649709272.db2.gz OIXMQLMSMQJFRU-QWRGUYRKSA-N 2 1 266.345 0.887 10 0 CCAEMP [NH3+]CCCCc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000091686581 649709273 /nfs/dbraw/zinc/70/92/73/649709273.db2.gz OIXMQLMSMQJFRU-QWRGUYRKSA-N 2 1 266.345 0.887 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251582300 649812616 /nfs/dbraw/zinc/81/26/16/649812616.db2.gz CKSYNRSNVGOOPF-WOPDTQHZSA-N 2 1 255.362 0.045 10 0 CCAEMP C[NH2+]Cc1sc(N2CC[NH+](C)CC2)nc1COC ZINC000082447256 178026869 /nfs/dbraw/zinc/02/68/69/178026869.db2.gz VFGXCTSMSLRNGR-UHFFFAOYSA-N 2 1 270.402 0.761 10 0 CCAEMP CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845859 349724946 /nfs/dbraw/zinc/72/49/46/349724946.db2.gz SGYADYMDGGRTTR-AWEZNQCLSA-N 2 1 255.406 0.733 10 0 CCAEMP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000117045943 349880636 /nfs/dbraw/zinc/88/06/36/349880636.db2.gz OGXVSHPBGKNLQB-JSGCOSHPSA-N 2 1 298.431 0.441 10 0 CCAEMP C(C1CCOCC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257737654 137005548 /nfs/dbraw/zinc/00/55/48/137005548.db2.gz SARAYJGHGWVYGE-AWEZNQCLSA-N 2 1 253.390 0.393 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000263263014 137062255 /nfs/dbraw/zinc/06/22/55/137062255.db2.gz REEJVTQXGGIIHQ-GXTWGEPZSA-N 2 1 272.352 0.747 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000263317287 137063875 /nfs/dbraw/zinc/06/38/75/137063875.db2.gz ZRKBYPRNVBTTTB-ZYHUDNBSSA-N 2 1 298.770 0.781 10 0 CCAEMP CO[C@@H]1C[C@H](CO)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000344697790 137208753 /nfs/dbraw/zinc/20/87/53/137208753.db2.gz CEECPOJBDRZKLW-CHWSQXEVSA-N 2 1 253.346 0.663 10 0 CCAEMP CO[C@@H]1C[C@H](CO)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000344697790 137208754 /nfs/dbraw/zinc/20/87/54/137208754.db2.gz CEECPOJBDRZKLW-CHWSQXEVSA-N 2 1 253.346 0.663 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1)[NH+](C)C ZINC000152487298 350530973 /nfs/dbraw/zinc/53/09/73/350530973.db2.gz IVOQRFVKGZWTSK-UONOGXRCSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1)[NH+](C)C ZINC000152487298 350530976 /nfs/dbraw/zinc/53/09/76/350530976.db2.gz IVOQRFVKGZWTSK-UONOGXRCSA-N 2 1 285.432 0.896 10 0 CCAEMP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000189437540 351678636 /nfs/dbraw/zinc/67/86/36/351678636.db2.gz QMIRKGOXKVAZCB-CQSZACIVSA-N 2 1 299.440 0.358 10 0 CCAEMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000237959962 352292182 /nfs/dbraw/zinc/29/21/82/352292182.db2.gz JCGHNYOZYCPWBM-KGLIPLIRSA-N 2 1 281.400 0.309 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000251657126 352510725 /nfs/dbraw/zinc/51/07/25/352510725.db2.gz GRPYBGRGSYWEPZ-KGLIPLIRSA-N 2 1 294.443 0.365 10 0 CCAEMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282536498 353433226 /nfs/dbraw/zinc/43/32/26/353433226.db2.gz ZLLWSSWWHAOSSR-CMPLNLGQSA-N 2 1 250.346 0.838 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CC[NH+](C)C1 ZINC000311127641 354197812 /nfs/dbraw/zinc/19/78/12/354197812.db2.gz IMZQZOLZNUJDFY-ZIAGYGMSSA-N 2 1 257.422 0.571 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000311127641 354197813 /nfs/dbraw/zinc/19/78/13/354197813.db2.gz IMZQZOLZNUJDFY-ZIAGYGMSSA-N 2 1 257.422 0.571 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000311127641 354197816 /nfs/dbraw/zinc/19/78/16/354197816.db2.gz IMZQZOLZNUJDFY-ZIAGYGMSSA-N 2 1 257.422 0.571 10 0 CCAEMP O=C(NC1C[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000335378296 354995198 /nfs/dbraw/zinc/99/51/98/354995198.db2.gz KWIFCWJMZGCRGW-RISCZKNCSA-N 2 1 278.400 0.617 10 0 CCAEMP Cc1noc(CCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000567890451 358607175 /nfs/dbraw/zinc/60/71/75/358607175.db2.gz QKCRFSTXKRACOP-QJPTWQEYSA-N 2 1 250.346 0.980 10 0 CCAEMP CN(C)c1nc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc[nH+]1 ZINC000630539135 370157001 /nfs/dbraw/zinc/15/70/01/370157001.db2.gz AJMRKGVLDFSTMS-OKILXGFUSA-N 2 1 261.373 0.978 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765786 372212333 /nfs/dbraw/zinc/21/23/33/372212333.db2.gz DQXORCRQRDMPFA-YDHLFZDLSA-N 2 1 265.401 0.977 10 0 CCAEMP C[N@H+]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634770335 372219926 /nfs/dbraw/zinc/21/99/26/372219926.db2.gz HZRMGOHHXTTZIN-JSGCOSHPSA-N 2 1 251.374 0.540 10 0 CCAEMP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000333358165 205250622 /nfs/dbraw/zinc/25/06/22/205250622.db2.gz KRTIULIMRXNWEZ-RYUDHWBXSA-N 2 1 268.405 0.910 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638107778 374674311 /nfs/dbraw/zinc/67/43/11/374674311.db2.gz GPXBOXRFRSUAOK-ZFWWWQNUSA-N 2 1 283.416 0.685 10 0 CCAEMP CCOCCN1CC[N@@H+](CCN2CCO[C@H](C)C2)C[C@H]1C ZINC000249216147 285106505 /nfs/dbraw/zinc/10/65/05/285106505.db2.gz FBBWMBDOYLUFBE-HZPDHXFCSA-N 2 1 299.459 0.750 10 0 CCAEMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392933688 285206571 /nfs/dbraw/zinc/20/65/71/285206571.db2.gz LNEZQJBPLXMMSM-RNJOBUHISA-N 2 1 251.374 0.870 10 0 CCAEMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000334946781 285211935 /nfs/dbraw/zinc/21/19/35/285211935.db2.gz ZBLJCCPZHAGMBA-CYBMUJFWSA-N 2 1 268.405 0.866 10 0 CCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306764434 389091091 /nfs/dbraw/zinc/09/10/91/389091091.db2.gz HFSCMCUTLURADX-NUEKZKHPSA-N 2 1 275.396 0.525 10 0 CCAEMP CC(C)C[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000110371409 389101878 /nfs/dbraw/zinc/10/18/78/389101878.db2.gz TWQVPBSWQIWIIO-KGLIPLIRSA-N 2 1 255.406 0.766 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161938181 389412296 /nfs/dbraw/zinc/41/22/96/389412296.db2.gz CFHSOVJCHIRUSE-HUUCEWRRSA-N 2 1 269.433 0.859 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCO)CC1 ZINC000171631131 389478717 /nfs/dbraw/zinc/47/87/17/389478717.db2.gz WQNYVAQTHCJWSY-CYBMUJFWSA-N 2 1 258.406 0.784 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000333897364 389448556 /nfs/dbraw/zinc/44/85/56/389448556.db2.gz AZSFOBNXGIVBMB-SRVKXCTJSA-N 2 1 254.378 0.520 10 0 CCAEMP CN(C(=O)[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000336176395 389627185 /nfs/dbraw/zinc/62/71/85/389627185.db2.gz OVAPFNXBCCNCNQ-MNOVXSKESA-N 2 1 275.343 0.832 10 0 CCAEMP CCc1nc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)n[nH]1 ZINC000181689742 389691171 /nfs/dbraw/zinc/69/11/71/389691171.db2.gz SNPAHBJZOCBCMF-GFCCVEGCSA-N 2 1 295.431 0.892 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649306053 390565133 /nfs/dbraw/zinc/56/51/33/390565133.db2.gz XTPBWWGYUCSHGV-JSGCOSHPSA-N 2 1 269.389 0.356 10 0 CCAEMP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799514 397385153 /nfs/dbraw/zinc/38/51/53/397385153.db2.gz VAPWUSAIPJVQSX-UONOGXRCSA-N 2 1 281.400 0.309 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112930 412225200 /nfs/dbraw/zinc/22/52/00/412225200.db2.gz NCISYAFIWBPLQV-HBNTYKKESA-N 2 1 293.333 0.985 10 0 CCAEMP CN(Cc1csc(C[NH3+])n1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191805 176072242 /nfs/dbraw/zinc/07/22/42/176072242.db2.gz DOTJUPIITCRTMF-SNVBAGLBSA-N 2 1 254.403 0.985 10 0 CCAEMP Cn1c2cc(CCC[N@H+](C)CC[NH3+])ccc2oc1=O ZINC000076362675 177003097 /nfs/dbraw/zinc/00/30/97/177003097.db2.gz VWTQGWWWWRREIT-UHFFFAOYSA-N 2 1 263.341 0.955 10 0 CCAEMP Cn1c2cc(CCC[N@@H+](C)CC[NH3+])ccc2oc1=O ZINC000076362675 177003099 /nfs/dbraw/zinc/00/30/99/177003099.db2.gz VWTQGWWWWRREIT-UHFFFAOYSA-N 2 1 263.341 0.955 10 0 CCAEMP CN(C(=O)[C@H]1CC[NH2+]CC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000336176397 228203972 /nfs/dbraw/zinc/20/39/72/228203972.db2.gz OVAPFNXBCCNCNQ-WDEREUQCSA-N 2 1 275.343 0.832 10 0 CCAEMP CCN1CCO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157583342 544684673 /nfs/dbraw/zinc/68/46/73/544684673.db2.gz BJRCVJBQMOESAL-RBSFLKMASA-N 2 1 267.417 0.924 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000262129371 544940248 /nfs/dbraw/zinc/94/02/48/544940248.db2.gz NOBMRCMZOMMZIA-DZGCQCFKSA-N 2 1 272.352 0.542 10 0 CCAEMP CCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262127971 544941209 /nfs/dbraw/zinc/94/12/09/544941209.db2.gz NIVKAGINWVEMHD-QWHCGFSZSA-N 2 1 250.342 0.755 10 0 CCAEMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cnc21 ZINC000262146940 544942136 /nfs/dbraw/zinc/94/21/36/544942136.db2.gz QNDXARXZXPOPLA-ZIAGYGMSSA-N 2 1 289.383 0.682 10 0 CCAEMP Cn1cc([C@H]2CCC[N@@H+]2C[C@H]2CNCCO2)cn1 ZINC000311129853 545012645 /nfs/dbraw/zinc/01/26/45/545012645.db2.gz WHNCHXXKGOKQQQ-CHWSQXEVSA-N 2 1 250.346 0.545 10 0 CCAEMP Cn1cc([C@H]2CCC[N@H+]2C[C@H]2CNCCO2)cn1 ZINC000311129853 545012647 /nfs/dbraw/zinc/01/26/47/545012647.db2.gz WHNCHXXKGOKQQQ-CHWSQXEVSA-N 2 1 250.346 0.545 10 0 CCAEMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000335839730 277075883 /nfs/dbraw/zinc/07/58/83/277075883.db2.gz XRDUFFAFKXTVAW-STQMWFEESA-N 2 1 251.374 0.777 10 0 CCAEMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000335839730 277075885 /nfs/dbraw/zinc/07/58/85/277075885.db2.gz XRDUFFAFKXTVAW-STQMWFEESA-N 2 1 251.374 0.777 10 0 CCAEMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335839730 277075886 /nfs/dbraw/zinc/07/58/86/277075886.db2.gz XRDUFFAFKXTVAW-STQMWFEESA-N 2 1 251.374 0.777 10 0 CCAEMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335839730 277075887 /nfs/dbraw/zinc/07/58/87/277075887.db2.gz XRDUFFAFKXTVAW-STQMWFEESA-N 2 1 251.374 0.777 10 0 CCAEMP CNC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151111440 277230275 /nfs/dbraw/zinc/23/02/75/277230275.db2.gz TUGFTPNQBIQXTR-LBPRGKRZSA-N 2 1 262.357 0.870 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc[nH]2)CC1 ZINC000179516401 278395514 /nfs/dbraw/zinc/39/55/14/278395514.db2.gz WNZWIPOUYQPVAA-GFCCVEGCSA-N 2 1 266.389 0.934 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]cn2)CC1 ZINC000179516401 278395515 /nfs/dbraw/zinc/39/55/15/278395515.db2.gz WNZWIPOUYQPVAA-GFCCVEGCSA-N 2 1 266.389 0.934 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c[nH]cn2)CC1 ZINC000179516401 278395516 /nfs/dbraw/zinc/39/55/16/278395516.db2.gz WNZWIPOUYQPVAA-GFCCVEGCSA-N 2 1 266.389 0.934 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175368477 279309802 /nfs/dbraw/zinc/30/98/02/279309802.db2.gz MNGCFSDJPUZGKM-ZIAGYGMSSA-N 2 1 298.431 0.443 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000335284712 279318467 /nfs/dbraw/zinc/31/84/67/279318467.db2.gz AMJRTUMVCVDPFW-NEPJUHHUSA-N 2 1 254.378 0.603 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000389644759 545086666 /nfs/dbraw/zinc/08/66/66/545086666.db2.gz MDNFLYHRSNXGGB-RWMBFGLXSA-N 2 1 253.390 0.975 10 0 CCAEMP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000227140498 298190680 /nfs/dbraw/zinc/19/06/80/298190680.db2.gz DSRIHCLZHIFHTH-DRZSPHRISA-N 2 1 251.374 0.585 10 0 CCAEMP [NH3+]Cc1ccc(OCCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000061710198 527255793 /nfs/dbraw/zinc/25/57/93/527255793.db2.gz HYHYIDIWWCRPJR-CYBMUJFWSA-N 2 1 250.342 0.981 10 0 CCAEMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263281870 535693620 /nfs/dbraw/zinc/69/36/20/535693620.db2.gz UKUPPGDVCNCVKT-ZYHUDNBSSA-N 2 1 284.429 0.659 10 0 CCAEMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000261897480 535763492 /nfs/dbraw/zinc/76/34/92/535763492.db2.gz ABSOIHMGTDHPLV-ZNMIVQPWSA-N 2 1 291.395 0.376 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc(OC)c1OC ZINC000263160040 536802139 /nfs/dbraw/zinc/80/21/39/536802139.db2.gz DUEIAKJNBJCLJQ-RYUDHWBXSA-N 2 1 296.367 0.382 10 0 CCAEMP OCC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000399016279 581207091 /nfs/dbraw/zinc/20/70/91/581207091.db2.gz DHLHUUZNZZXSCJ-CABCVRRESA-N 2 1 267.417 0.660 10 0 CCAEMP OCCN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000399016279 581207093 /nfs/dbraw/zinc/20/70/93/581207093.db2.gz DHLHUUZNZZXSCJ-CABCVRRESA-N 2 1 267.417 0.660 10 0 CCAEMP OCCN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000399016279 581207095 /nfs/dbraw/zinc/20/70/95/581207095.db2.gz DHLHUUZNZZXSCJ-CABCVRRESA-N 2 1 267.417 0.660 10 0 CCAEMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)C2 ZINC000888097892 614175171 /nfs/dbraw/zinc/17/51/71/614175171.db2.gz SEXNDHUWLRFQFH-KBXIAJHMSA-N 2 1 293.415 0.384 10 0 CCAEMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)C2 ZINC000888097892 614175173 /nfs/dbraw/zinc/17/51/73/614175173.db2.gz SEXNDHUWLRFQFH-KBXIAJHMSA-N 2 1 293.415 0.384 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CCOC ZINC000220940834 615130791 /nfs/dbraw/zinc/13/07/91/615130791.db2.gz IJUBGNROTYQVFB-NEPJUHHUSA-N 2 1 257.378 0.293 10 0 CCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311240972 623684262 /nfs/dbraw/zinc/68/42/62/623684262.db2.gz ZEKHDMSVEJEQGJ-MCIONIFRSA-N 2 1 256.390 0.848 10 0 CCAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000299926173 625668855 /nfs/dbraw/zinc/66/88/55/625668855.db2.gz KMSBDCMGTFFSQA-REWJHTLYSA-N 2 1 254.374 0.743 10 0 CCAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000299926173 625668875 /nfs/dbraw/zinc/66/88/75/625668875.db2.gz KMSBDCMGTFFSQA-REWJHTLYSA-N 2 1 254.374 0.743 10 0 CCAEMP CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000049645717 624491241 /nfs/dbraw/zinc/49/12/41/624491241.db2.gz IDWRWGFOJHKAPR-ZDUSSCGKSA-N 2 1 289.445 0.390 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668524 649709077 /nfs/dbraw/zinc/70/90/77/649709077.db2.gz WWHAVNLGGVGYLV-DGAVXFQQSA-N 2 1 281.400 0.341 10 0 CCAEMP CC(C)OC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250583692 649776350 /nfs/dbraw/zinc/77/63/50/649776350.db2.gz LARZTTIVRWDAKU-QNMSZWNNSA-N 2 1 256.390 0.987 10 0 CCAEMP C[N@H+](Cc1ccncc1)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000097035373 649828287 /nfs/dbraw/zinc/82/82/87/649828287.db2.gz YDNZSWRSDLPTAV-HNNXBMFYSA-N 2 1 278.400 0.122 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252562414 649828863 /nfs/dbraw/zinc/82/88/63/649828863.db2.gz WWHAVNLGGVGYLV-FQUUOJAGSA-N 2 1 281.400 0.341 10 0 CCAEMP Cc1[nH+]ccn1-c1ccc(NC(=O)C2C[NH2+]C2)cn1 ZINC000091395907 282198236 /nfs/dbraw/zinc/19/82/36/282198236.db2.gz YZEYCUQSNSAMEJ-UHFFFAOYSA-N 2 1 257.297 0.734 10 0 CCAEMP CC[N@@H+](CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CC1 ZINC000117043132 349880783 /nfs/dbraw/zinc/88/07/83/349880783.db2.gz JGMDEGOKQUVVJC-CQSZACIVSA-N 2 1 298.431 0.443 10 0 CCAEMP CN1CCO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250372267 137001564 /nfs/dbraw/zinc/00/15/64/137001564.db2.gz JAJBDHWXQTWVNA-BFHYXJOUSA-N 2 1 253.390 0.533 10 0 CCAEMP CCC[C@](C)([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262509905 137045415 /nfs/dbraw/zinc/04/54/15/137045415.db2.gz BAYZJZMYFIUVKU-ZFWWWQNUSA-N 2 1 285.432 0.857 10 0 CCAEMP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262619275 137048467 /nfs/dbraw/zinc/04/84/67/137048467.db2.gz DQDZDJRYMDQNEL-UONOGXRCSA-N 2 1 283.416 0.603 10 0 CCAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262619275 137048468 /nfs/dbraw/zinc/04/84/68/137048468.db2.gz DQDZDJRYMDQNEL-UONOGXRCSA-N 2 1 283.416 0.603 10 0 CCAEMP CCC(CC)[C@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000262223660 137031341 /nfs/dbraw/zinc/03/13/41/137031341.db2.gz KXBKTDKCQLYBAZ-AWEZNQCLSA-N 2 1 283.416 0.459 10 0 CCAEMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263288400 137062876 /nfs/dbraw/zinc/06/28/76/137062876.db2.gz VJPQHRJMZBOTTP-GXTWGEPZSA-N 2 1 263.341 0.315 10 0 CCAEMP COc1ccc(C)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263286193 137062950 /nfs/dbraw/zinc/06/29/50/137062950.db2.gz VAYYRRRCOYAVHM-OLZOCXBDSA-N 2 1 250.342 0.674 10 0 CCAEMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000263347926 137064645 /nfs/dbraw/zinc/06/46/45/137064645.db2.gz ZSPYSXJOPPVTKZ-UHFFFAOYSA-N 2 1 273.380 0.770 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000263185983 137059998 /nfs/dbraw/zinc/05/99/98/137059998.db2.gz HGTGHOUSRZPPKW-GXSJLCMTSA-N 2 1 278.381 0.808 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2cccnc2)n1 ZINC000263217344 137060593 /nfs/dbraw/zinc/06/05/93/137060593.db2.gz LBUCOZCSCFGIIQ-OCCSQVGLSA-N 2 1 287.367 0.152 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc2c1OCO2 ZINC000263219918 137060609 /nfs/dbraw/zinc/06/06/09/137060609.db2.gz LRUOSWDTXUNXKV-GHMZBOCLSA-N 2 1 280.324 0.094 10 0 CCAEMP CO[C@@H]1C[C@@H](CO)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000344683486 137207369 /nfs/dbraw/zinc/20/73/69/137207369.db2.gz UXBVJUJBXKTAOJ-UONOGXRCSA-N 2 1 256.390 0.944 10 0 CCAEMP CO[C@@H]1C[C@@H](CO)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000344683486 137207370 /nfs/dbraw/zinc/20/73/70/137207370.db2.gz UXBVJUJBXKTAOJ-UONOGXRCSA-N 2 1 256.390 0.944 10 0 CCAEMP C[NH+]1CCN(C(=O)CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000120706071 350000717 /nfs/dbraw/zinc/00/07/17/350000717.db2.gz YFEOZHWBFRCCFO-UHFFFAOYSA-N 2 1 294.443 0.321 10 0 CCAEMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357670 349361011 /nfs/dbraw/zinc/36/10/11/349361011.db2.gz WJPNOFCMFREXNI-STQMWFEESA-N 2 1 271.405 0.602 10 0 CCAEMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371166 349362784 /nfs/dbraw/zinc/36/27/84/349362784.db2.gz WGUXQMLZPCJIJZ-CQSZACIVSA-N 2 1 283.416 0.555 10 0 CCAEMP CCCNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862070 186079402 /nfs/dbraw/zinc/07/94/02/186079402.db2.gz BJOPGMWRQYYEOV-ZDUSSCGKSA-N 2 1 285.432 0.537 10 0 CCAEMP O=C(C[NH2+]CC1CC1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747610 351244427 /nfs/dbraw/zinc/24/44/27/351244427.db2.gz YSQZTDMJKNAGRX-UHFFFAOYSA-N 2 1 251.374 0.683 10 0 CCAEMP CC[N@@H+](CC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000246374753 352363226 /nfs/dbraw/zinc/36/32/26/352363226.db2.gz YTPNSYJKNJAUJW-ZDUSSCGKSA-N 2 1 251.374 0.777 10 0 CCAEMP CC[NH+](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000246374753 352363227 /nfs/dbraw/zinc/36/32/27/352363227.db2.gz YTPNSYJKNJAUJW-ZDUSSCGKSA-N 2 1 251.374 0.777 10 0 CCAEMP CC[NH+](CC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000246374753 352363230 /nfs/dbraw/zinc/36/32/30/352363230.db2.gz YTPNSYJKNJAUJW-ZDUSSCGKSA-N 2 1 251.374 0.777 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000246639651 352376711 /nfs/dbraw/zinc/37/67/11/352376711.db2.gz YFXKWQPRURJXKP-GJZGRUSLSA-N 2 1 297.443 0.632 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000246639651 352376714 /nfs/dbraw/zinc/37/67/14/352376714.db2.gz YFXKWQPRURJXKP-GJZGRUSLSA-N 2 1 297.443 0.632 10 0 CCAEMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904653 354193403 /nfs/dbraw/zinc/19/34/03/354193403.db2.gz CWOWVMRDUZHDLM-KGLIPLIRSA-N 2 1 256.390 0.678 10 0 CCAEMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904653 354193404 /nfs/dbraw/zinc/19/34/04/354193404.db2.gz CWOWVMRDUZHDLM-KGLIPLIRSA-N 2 1 256.390 0.678 10 0 CCAEMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904653 354193405 /nfs/dbraw/zinc/19/34/05/354193405.db2.gz CWOWVMRDUZHDLM-KGLIPLIRSA-N 2 1 256.390 0.678 10 0 CCAEMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904653 354193406 /nfs/dbraw/zinc/19/34/06/354193406.db2.gz CWOWVMRDUZHDLM-KGLIPLIRSA-N 2 1 256.390 0.678 10 0 CCAEMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCC[NH2+]C2)[N@@H+](C)C1 ZINC000333824733 354800352 /nfs/dbraw/zinc/80/03/52/354800352.db2.gz LLPHWQVKPYDHHY-RDBSUJKOSA-N 2 1 298.431 0.489 10 0 CCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333836287 354803085 /nfs/dbraw/zinc/80/30/85/354803085.db2.gz UHOUIGVEOMYNRB-QWHCGFSZSA-N 2 1 280.416 0.912 10 0 CCAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333836286 354803399 /nfs/dbraw/zinc/80/33/99/354803399.db2.gz UHOUIGVEOMYNRB-OLZOCXBDSA-N 2 1 280.416 0.912 10 0 CCAEMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333850198 354805044 /nfs/dbraw/zinc/80/50/44/354805044.db2.gz XBJNNSRHJIOTSX-LBPRGKRZSA-N 2 1 265.361 0.633 10 0 CCAEMP CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000334451381 354868631 /nfs/dbraw/zinc/86/86/31/354868631.db2.gz VRRIXMBVHABUSF-AWEZNQCLSA-N 2 1 280.416 0.960 10 0 CCAEMP C[N@@H+](CCO)C1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000408348133 358044756 /nfs/dbraw/zinc/04/47/56/358044756.db2.gz ZGOQKDGZZNAKFR-UHFFFAOYSA-N 2 1 298.431 0.179 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638116312 374682212 /nfs/dbraw/zinc/68/22/12/374682212.db2.gz MDJKMNMISNWLIS-UMVBOHGHSA-N 2 1 281.400 0.437 10 0 CCAEMP C[NH2+][C@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1cnn(C)c1 ZINC000262446073 190055537 /nfs/dbraw/zinc/05/55/37/190055537.db2.gz VKOKMAGDCNNYAD-AWEZNQCLSA-N 2 1 295.431 0.916 10 0 CCAEMP CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CO1 ZINC000657325029 412961493 /nfs/dbraw/zinc/96/14/93/412961493.db2.gz FMTJYHXPOZKWAY-BFHYXJOUSA-N 2 1 256.390 0.990 10 0 CCAEMP CCOCCN1CC[N@@H+](CCN2CCO[C@@H](C)C2)C[C@H]1C ZINC000249216141 285106597 /nfs/dbraw/zinc/10/65/97/285106597.db2.gz FBBWMBDOYLUFBE-CVEARBPZSA-N 2 1 299.459 0.750 10 0 CCAEMP COC[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000247475570 285205788 /nfs/dbraw/zinc/20/57/88/285205788.db2.gz JQQRIQHJOARJGF-HZPDHXFCSA-N 2 1 299.459 0.748 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000335285716 285265734 /nfs/dbraw/zinc/26/57/34/285265734.db2.gz RTXIUCTZSKTIBZ-NEPJUHHUSA-N 2 1 254.378 0.474 10 0 CCAEMP O=C(N[C@H]1C[C@H]2C[NH2+][C@@H]1C2)c1cn2c[nH+]cc2cn1 ZINC000168856284 389451312 /nfs/dbraw/zinc/45/13/12/389451312.db2.gz ZGENTZCFMSSEOR-GDPRMGEGSA-N 2 1 257.297 0.210 10 0 CCAEMP CO[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000378849158 389760646 /nfs/dbraw/zinc/76/06/46/389760646.db2.gz UVZPFEZVRIJNKS-KGLIPLIRSA-N 2 1 256.390 0.848 10 0 CCAEMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399092377 389788132 /nfs/dbraw/zinc/78/81/32/389788132.db2.gz XBWUSQKRAHFUHC-XQLPTFJDSA-N 2 1 286.416 0.018 10 0 CCAEMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399092377 389788135 /nfs/dbraw/zinc/78/81/35/389788135.db2.gz XBWUSQKRAHFUHC-XQLPTFJDSA-N 2 1 286.416 0.018 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399092377 389788139 /nfs/dbraw/zinc/78/81/39/389788139.db2.gz XBWUSQKRAHFUHC-XQLPTFJDSA-N 2 1 286.416 0.018 10 0 CCAEMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399092377 389788140 /nfs/dbraw/zinc/78/81/40/389788140.db2.gz XBWUSQKRAHFUHC-XQLPTFJDSA-N 2 1 286.416 0.018 10 0 CCAEMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399092377 389788142 /nfs/dbraw/zinc/78/81/42/389788142.db2.gz XBWUSQKRAHFUHC-XQLPTFJDSA-N 2 1 286.416 0.018 10 0 CCAEMP COCCC1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000649298070 390557034 /nfs/dbraw/zinc/55/70/34/390557034.db2.gz NURPKSHZEWWALF-ZDUSSCGKSA-N 2 1 283.416 0.461 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649335094 390591676 /nfs/dbraw/zinc/59/16/76/390591676.db2.gz FCAOBZMWKXURKY-GRYCIOLGSA-N 2 1 287.354 0.926 10 0 CCAEMP OCC[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657943520 413077004 /nfs/dbraw/zinc/07/70/04/413077004.db2.gz PDMJZLLUERFQDF-ZDUSSCGKSA-N 2 1 254.374 0.744 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799554 397386207 /nfs/dbraw/zinc/38/62/07/397386207.db2.gz GUVNKWPWDIAKAO-STQMWFEESA-N 2 1 269.389 0.437 10 0 CCAEMP CC(C)(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000129654189 411720474 /nfs/dbraw/zinc/72/04/74/411720474.db2.gz BEETWNQYWKFORL-AWEZNQCLSA-N 2 1 294.443 0.367 10 0 CCAEMP CC(C)(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000129654189 411720479 /nfs/dbraw/zinc/72/04/79/411720479.db2.gz BEETWNQYWKFORL-AWEZNQCLSA-N 2 1 294.443 0.367 10 0 CCAEMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000653776702 412344832 /nfs/dbraw/zinc/34/48/32/412344832.db2.gz BPSTULXEMLUYSA-REWJHTLYSA-N 2 1 256.390 0.704 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000653776702 412344836 /nfs/dbraw/zinc/34/48/36/412344836.db2.gz BPSTULXEMLUYSA-REWJHTLYSA-N 2 1 256.390 0.704 10 0 CCAEMP CC[C@H](CC[NH3+])[NH+]1CCN(CC(=O)N(C)CC)CC1 ZINC000037223163 173043929 /nfs/dbraw/zinc/04/39/29/173043929.db2.gz ROJZLIFNPKRPOW-CYBMUJFWSA-N 2 1 270.421 0.210 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662738615 414750420 /nfs/dbraw/zinc/75/04/20/414750420.db2.gz YIXFSTLARDNONW-FDYHWXHSSA-N 2 1 251.374 0.809 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662461069 414720411 /nfs/dbraw/zinc/72/04/11/414720411.db2.gz YWAZXMRVTQNVID-YNEHKIRRSA-N 2 1 251.374 0.681 10 0 CCAEMP CC[NH+]1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000071188586 176063433 /nfs/dbraw/zinc/06/34/33/176063433.db2.gz MYOYCBOWPMQCOV-CQSZACIVSA-N 3 1 268.449 0.683 10 0 CCAEMP CC(C)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000089746426 544517072 /nfs/dbraw/zinc/51/70/72/544517072.db2.gz ZNPCZPLHICWPJW-GJZGRUSLSA-N 2 1 296.459 0.374 10 0 CCAEMP C[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000227433083 544834982 /nfs/dbraw/zinc/83/49/82/544834982.db2.gz DEKSNLSHDPMSTP-WZRBSPASSA-N 2 1 253.390 0.960 10 0 CCAEMP CC[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246235080 544909001 /nfs/dbraw/zinc/90/90/01/544909001.db2.gz IFCAZEIARMIWAO-NWDGAFQWSA-N 2 1 271.405 0.417 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000262129374 544940513 /nfs/dbraw/zinc/94/05/13/544940513.db2.gz NOBMRCMZOMMZIA-ZFWWWQNUSA-N 2 1 272.352 0.542 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000262151624 544942218 /nfs/dbraw/zinc/94/22/18/544942218.db2.gz RGTRICAFURJSGB-SWLSCSKDSA-N 2 1 290.342 0.681 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H]1C ZINC000333677258 545041673 /nfs/dbraw/zinc/04/16/73/545041673.db2.gz OFTGXDOVVIMJLQ-MELADBBJSA-N 2 1 298.431 0.489 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H]1C ZINC000333677258 545041674 /nfs/dbraw/zinc/04/16/74/545041674.db2.gz OFTGXDOVVIMJLQ-MELADBBJSA-N 2 1 298.431 0.489 10 0 CCAEMP C([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCOCC1 ZINC000091662407 275394722 /nfs/dbraw/zinc/39/47/22/275394722.db2.gz JZOCISFVLTWSKU-ZIAGYGMSSA-N 2 1 254.374 0.866 10 0 CCAEMP C([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCOCC1 ZINC000091662407 275394724 /nfs/dbraw/zinc/39/47/24/275394724.db2.gz JZOCISFVLTWSKU-ZIAGYGMSSA-N 2 1 254.374 0.866 10 0 CCAEMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188974524 277228005 /nfs/dbraw/zinc/22/80/05/277228005.db2.gz PXQLOCSARHKUGR-QNWHQSFQSA-N 2 1 287.379 0.254 10 0 CCAEMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188974524 277228007 /nfs/dbraw/zinc/22/80/07/277228007.db2.gz PXQLOCSARHKUGR-QNWHQSFQSA-N 2 1 287.379 0.254 10 0 CCAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262620247 277965917 /nfs/dbraw/zinc/96/59/17/277965917.db2.gz DVIIWZKOHWSWKH-RBSFLKMASA-N 2 1 297.443 0.849 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)C2CC2)CC1 ZINC000105862691 278289334 /nfs/dbraw/zinc/28/93/34/278289334.db2.gz KWGHUSMPAIVGMD-ZDUSSCGKSA-N 2 1 297.443 0.632 10 0 CCAEMP CN(C(=O)[C@@H]1CC[NH2+]CC1(F)F)C1CC[NH+](C)CC1 ZINC000335330409 281828424 /nfs/dbraw/zinc/82/84/24/281828424.db2.gz SFUVIDJQOMPYMB-NSHDSACASA-N 2 1 275.343 0.784 10 0 CCAEMP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C1C[NH2+]C1 ZINC000262379360 289251860 /nfs/dbraw/zinc/25/18/60/289251860.db2.gz MUEJCRSWOJXPBU-NWDGAFQWSA-N 2 1 253.390 0.642 10 0 CCAEMP C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1[NH3+] ZINC000333542651 300139143 /nfs/dbraw/zinc/13/91/43/300139143.db2.gz JLHPHIRMORZFGD-APYLGABCSA-N 2 1 280.416 0.990 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000576827160 335252896 /nfs/dbraw/zinc/25/28/96/335252896.db2.gz WBFSDEANNMMFLP-JHJVBQTASA-N 2 1 253.390 0.642 10 0 CCAEMP CC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C3CC3)CC2)O1 ZINC000052371390 519954181 /nfs/dbraw/zinc/95/41/81/519954181.db2.gz UJEPSQAZRODQKI-GJZGRUSLSA-N 2 1 267.417 0.924 10 0 CCAEMP CCCN1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052422009 519858714 /nfs/dbraw/zinc/85/87/14/519858714.db2.gz RBQLVLNPMOHUEG-KBPBESRZSA-N 2 1 255.406 0.781 10 0 CCAEMP COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557585 523345218 /nfs/dbraw/zinc/34/52/18/523345218.db2.gz PWDADPWBYLWGHM-NWDGAFQWSA-N 2 1 259.394 0.457 10 0 CCAEMP Cc1[nH+]ccn1CC[NH2+]CCCN1CCOCC1 ZINC000049330043 527430987 /nfs/dbraw/zinc/43/09/87/527430987.db2.gz SMBROKCMMORYPR-UHFFFAOYSA-N 2 1 252.362 0.503 10 0 CCAEMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1COCC[NH2+]1 ZINC000262660705 536403349 /nfs/dbraw/zinc/40/33/49/536403349.db2.gz XNJJZUSDQLUODS-QWHCGFSZSA-N 2 1 269.389 0.308 10 0 CCAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1COCC[NH2+]1 ZINC000262660705 536403352 /nfs/dbraw/zinc/40/33/52/536403352.db2.gz XNJJZUSDQLUODS-QWHCGFSZSA-N 2 1 269.389 0.308 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc2c1OCCO2 ZINC000263198680 536802347 /nfs/dbraw/zinc/80/23/47/536802347.db2.gz ISLSMAKMKKIDLI-RYUDHWBXSA-N 2 1 294.351 0.136 10 0 CCAEMP OCC[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000399113798 581207512 /nfs/dbraw/zinc/20/75/12/581207512.db2.gz ZZXVMKCXNVBIQQ-UHFFFAOYSA-N 2 1 264.369 0.725 10 0 CCAEMP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000105875711 349726592 /nfs/dbraw/zinc/72/65/92/349726592.db2.gz WGRDXUJZZYZDRA-UHFFFAOYSA-N 2 1 276.384 0.953 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758128 349776559 /nfs/dbraw/zinc/77/65/59/349776559.db2.gz YUDZNTRZNGWMPN-LBPRGKRZSA-N 2 1 269.389 0.356 10 0 CCAEMP CCC[C@](C)([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000262509903 137045226 /nfs/dbraw/zinc/04/52/26/137045226.db2.gz BAYZJZMYFIUVKU-HIFRSBDPSA-N 2 1 285.432 0.857 10 0 CCAEMP Cn1cnc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263180977 137059548 /nfs/dbraw/zinc/05/95/48/137059548.db2.gz GUJDTVZKXCUACW-SMDDNHRTSA-N 2 1 260.341 0.243 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000263285409 137063063 /nfs/dbraw/zinc/06/30/63/137063063.db2.gz UYGDPFSNHPMVEO-MWLCHTKSSA-N 2 1 286.173 0.514 10 0 CCAEMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000310998955 137073801 /nfs/dbraw/zinc/07/38/01/137073801.db2.gz JFXAGKSNUTUZOU-UWVGGRQHSA-N 2 1 261.316 0.666 10 0 CCAEMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000310998955 137073802 /nfs/dbraw/zinc/07/38/02/137073802.db2.gz JFXAGKSNUTUZOU-UWVGGRQHSA-N 2 1 261.316 0.666 10 0 CCAEMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263222096 137060813 /nfs/dbraw/zinc/06/08/13/137060813.db2.gz MAFSFOPASKEEAI-CJNGLKHVSA-N 2 1 286.379 0.851 10 0 CCAEMP Cn1c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)cc2sc1=O ZINC000263223583 137060864 /nfs/dbraw/zinc/06/08/64/137060864.db2.gz MIYBXUYZIZGZNJ-JQWIXIFHSA-N 2 1 293.392 0.270 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C3CC3)CC2)C1 ZINC000105174506 186044389 /nfs/dbraw/zinc/04/43/89/186044389.db2.gz WQMXINBNXAMMCI-ZDUSSCGKSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000105174506 186044391 /nfs/dbraw/zinc/04/43/91/186044391.db2.gz WQMXINBNXAMMCI-ZDUSSCGKSA-N 2 1 280.416 0.960 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CC(C)(C)[NH3+])cn1 ZINC000181373628 282672681 /nfs/dbraw/zinc/67/26/81/282672681.db2.gz QLUJVSLMIXGMIF-NSHDSACASA-N 2 1 265.361 0.020 10 0 CCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181409890 351316969 /nfs/dbraw/zinc/31/69/69/351316969.db2.gz RHLUWGOYKIXMQA-NEPJUHHUSA-N 2 1 265.361 0.020 10 0 CCAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000247372757 352411065 /nfs/dbraw/zinc/41/10/65/352411065.db2.gz FHDWJOWTKBNHJS-UKRRQHHQSA-N 2 1 292.427 0.960 10 0 CCAEMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000247372757 352411072 /nfs/dbraw/zinc/41/10/72/352411072.db2.gz FHDWJOWTKBNHJS-UKRRQHHQSA-N 2 1 292.427 0.960 10 0 CCAEMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000247372757 352411075 /nfs/dbraw/zinc/41/10/75/352411075.db2.gz FHDWJOWTKBNHJS-UKRRQHHQSA-N 2 1 292.427 0.960 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)C(F)(F)F)CC1 ZINC000248584317 352447052 /nfs/dbraw/zinc/44/70/52/352447052.db2.gz PNRFODHIORXHFT-ZYHUDNBSSA-N 2 1 298.349 0.934 10 0 CCAEMP C[C@@H]1CCC[C@](CNC(=O)[C@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000251994552 352512689 /nfs/dbraw/zinc/51/26/89/352512689.db2.gz ZMXXNZYHKQCBBG-NFAWXSAZSA-N 2 1 283.416 0.602 10 0 CCAEMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCCC[NH2+]C2)[N@@H+](C)C1 ZINC000333824732 354800554 /nfs/dbraw/zinc/80/05/54/354800554.db2.gz LLPHWQVKPYDHHY-IHRRRGAJSA-N 2 1 298.431 0.489 10 0 CCAEMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000336231448 213060449 /nfs/dbraw/zinc/06/04/49/213060449.db2.gz JJAWLCNFVHUWGR-AAEUAGOBSA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000336231448 213060451 /nfs/dbraw/zinc/06/04/51/213060451.db2.gz JJAWLCNFVHUWGR-AAEUAGOBSA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000336221791 213049492 /nfs/dbraw/zinc/04/94/92/213049492.db2.gz HFOHYQFBRNHPSV-OCCSQVGLSA-N 2 1 271.380 0.926 10 0 CCAEMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842467 370707697 /nfs/dbraw/zinc/70/76/97/370707697.db2.gz ATQSNXITYAZSCX-KOLCDFICSA-N 2 1 255.387 0.745 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765708 372212989 /nfs/dbraw/zinc/21/29/89/372212989.db2.gz AHSOZGRDWPVJDC-SCRDCRAPSA-N 2 1 251.374 0.587 10 0 CCAEMP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000334927470 207306161 /nfs/dbraw/zinc/30/61/61/207306161.db2.gz HCDJRNUPHYXDQN-GFCCVEGCSA-N 2 1 266.389 0.618 10 0 CCAEMP CC[C@@H](C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1)[NH+](C)C ZINC000246960703 285038363 /nfs/dbraw/zinc/03/83/63/285038363.db2.gz IVOQRFVKGZWTSK-KGLIPLIRSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1)[NH+](C)C ZINC000246960703 285038364 /nfs/dbraw/zinc/03/83/64/285038364.db2.gz IVOQRFVKGZWTSK-KGLIPLIRSA-N 2 1 285.432 0.896 10 0 CCAEMP CC[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000247562502 285054752 /nfs/dbraw/zinc/05/47/52/285054752.db2.gz QYNOFZJREIUHCG-JKSUJKDBSA-N 2 1 299.459 0.486 10 0 CCAEMP CC[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000247562502 285054758 /nfs/dbraw/zinc/05/47/58/285054758.db2.gz QYNOFZJREIUHCG-JKSUJKDBSA-N 2 1 299.459 0.486 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188774783 388941053 /nfs/dbraw/zinc/94/10/53/388941053.db2.gz HVQJOFQRNMJRGH-WDEREUQCSA-N 2 1 289.383 0.364 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000193523908 389072191 /nfs/dbraw/zinc/07/21/91/389072191.db2.gz WSSVUQGEQWTLIJ-SFYZADRCSA-N 2 1 254.359 0.472 10 0 CCAEMP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000095088016 389041830 /nfs/dbraw/zinc/04/18/30/389041830.db2.gz XUXCIOSNEHZUNR-GFCCVEGCSA-N 2 1 253.390 0.914 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000226694715 389148587 /nfs/dbraw/zinc/14/85/87/389148587.db2.gz QYGLJIVLERTQJO-YNEHKIRRSA-N 2 1 269.389 0.210 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000332861409 389382898 /nfs/dbraw/zinc/38/28/98/389382898.db2.gz FTZKQHUHQOCZBW-MELADBBJSA-N 2 1 298.431 0.177 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000332861409 389382899 /nfs/dbraw/zinc/38/28/99/389382899.db2.gz FTZKQHUHQOCZBW-MELADBBJSA-N 2 1 298.431 0.177 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000332861409 389382901 /nfs/dbraw/zinc/38/29/01/389382901.db2.gz FTZKQHUHQOCZBW-MELADBBJSA-N 2 1 298.431 0.177 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333938886 389450691 /nfs/dbraw/zinc/45/06/91/389450691.db2.gz MWEFUTCVLURYAO-UMSGYPCISA-N 2 1 266.389 0.459 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000335284257 389544337 /nfs/dbraw/zinc/54/43/37/389544337.db2.gz FBUOHTHQUKYIQC-PWSUYJOCSA-N 2 1 252.362 0.084 10 0 CCAEMP CC1(NC(=O)[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC000335989743 389618940 /nfs/dbraw/zinc/61/89/40/389618940.db2.gz BEUPEKKXMNWQHX-SECBINFHSA-N 2 1 261.316 0.490 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181411979 389685220 /nfs/dbraw/zinc/68/52/20/389685220.db2.gz KWPDMYQPVIORTL-CYBMUJFWSA-N 2 1 279.388 0.233 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181411979 389685226 /nfs/dbraw/zinc/68/52/26/389685226.db2.gz KWPDMYQPVIORTL-CYBMUJFWSA-N 2 1 279.388 0.233 10 0 CCAEMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000645781482 390493563 /nfs/dbraw/zinc/49/35/63/390493563.db2.gz PZDPSPPZCUPQJA-NEPJUHHUSA-N 2 1 251.374 0.681 10 0 CCAEMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000645781482 390493567 /nfs/dbraw/zinc/49/35/67/390493567.db2.gz PZDPSPPZCUPQJA-NEPJUHHUSA-N 2 1 251.374 0.681 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649335295 390591369 /nfs/dbraw/zinc/59/13/69/390591369.db2.gz QIKBVGDJHMDERL-WOPDTQHZSA-N 2 1 251.374 0.680 10 0 CCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799557 397385745 /nfs/dbraw/zinc/38/57/45/397385745.db2.gz GUVNKWPWDIAKAO-CHWSQXEVSA-N 2 1 269.389 0.437 10 0 CCAEMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000386231793 397501119 /nfs/dbraw/zinc/50/11/19/397501119.db2.gz PZCVJCBHJYWHBU-XQQFMLRXSA-N 2 1 260.378 0.083 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000386231793 397501122 /nfs/dbraw/zinc/50/11/22/397501122.db2.gz PZCVJCBHJYWHBU-XQQFMLRXSA-N 2 1 260.378 0.083 10 0 CCAEMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000386231791 397501649 /nfs/dbraw/zinc/50/16/49/397501649.db2.gz PZCVJCBHJYWHBU-JHJVBQTASA-N 2 1 260.378 0.083 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000386231791 397501654 /nfs/dbraw/zinc/50/16/54/397501654.db2.gz PZCVJCBHJYWHBU-JHJVBQTASA-N 2 1 260.378 0.083 10 0 CCAEMP Cn1cc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cn1 ZINC000311639948 411750131 /nfs/dbraw/zinc/75/01/31/411750131.db2.gz KTQSDVJSPPSBJT-CQSZACIVSA-N 2 1 263.389 0.462 10 0 CCAEMP C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328645296 411759353 /nfs/dbraw/zinc/75/93/53/411759353.db2.gz ZNZCWHORRMNVQG-RYUDHWBXSA-N 2 1 277.372 0.840 10 0 CCAEMP C[C@H]1CCC[N@H+]1CC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328645296 411759358 /nfs/dbraw/zinc/75/93/58/411759358.db2.gz ZNZCWHORRMNVQG-RYUDHWBXSA-N 2 1 277.372 0.840 10 0 CCAEMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653112679 412223825 /nfs/dbraw/zinc/22/38/25/412223825.db2.gz GSIQBYBIWIYHOK-JMJZKYOTSA-N 2 1 291.317 0.737 10 0 CCAEMP Cc1ccccc1OCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031385 174026004 /nfs/dbraw/zinc/02/60/04/174026004.db2.gz HDMPJRRPSBKSPX-UHFFFAOYSA-N 2 1 291.395 0.737 10 0 CCAEMP Cc1ccccc1OCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031385 174026005 /nfs/dbraw/zinc/02/60/05/174026005.db2.gz HDMPJRRPSBKSPX-UHFFFAOYSA-N 2 1 291.395 0.737 10 0 CCAEMP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cc2c[nH+]cn2cn1 ZINC000039073353 174162640 /nfs/dbraw/zinc/16/26/40/174162640.db2.gz OIVBJQRGGRXZFB-FXPVBKGRSA-N 2 1 257.297 0.210 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000662911049 414885507 /nfs/dbraw/zinc/88/55/07/414885507.db2.gz QTSRXZURMTVLOG-JSGCOSHPSA-N 2 1 269.389 0.356 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157793804 544685885 /nfs/dbraw/zinc/68/58/85/544685885.db2.gz LTTZUSAXSYSJKS-FDYHWXHSSA-N 2 1 251.374 0.585 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000252087104 544929096 /nfs/dbraw/zinc/92/90/96/544929096.db2.gz GQJWKDCJRLGSNV-LPWJVIDDSA-N 2 1 253.390 0.960 10 0 CCAEMP Cc1cc(C)n2c(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)cnc2n1 ZINC000262143690 544942362 /nfs/dbraw/zinc/94/23/62/544942362.db2.gz PZUSOYANVQLZKW-YPMHNXCESA-N 2 1 275.356 0.016 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000311020631 545011511 /nfs/dbraw/zinc/01/15/11/545011511.db2.gz LPIDAJFRYRQWPZ-KBPBESRZSA-N 2 1 258.406 0.924 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000311020631 545011513 /nfs/dbraw/zinc/01/15/13/545011513.db2.gz LPIDAJFRYRQWPZ-KBPBESRZSA-N 2 1 258.406 0.924 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCCO ZINC000311020631 545011514 /nfs/dbraw/zinc/01/15/14/545011514.db2.gz LPIDAJFRYRQWPZ-KBPBESRZSA-N 2 1 258.406 0.924 10 0 CCAEMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000261897473 279045507 /nfs/dbraw/zinc/04/55/07/279045507.db2.gz ABSOIHMGTDHPLV-ILXRZTDVSA-N 2 1 291.395 0.376 10 0 CCAEMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000237958952 280104262 /nfs/dbraw/zinc/10/42/62/280104262.db2.gz CDCWWQDOVNCTDE-KGLIPLIRSA-N 2 1 281.400 0.452 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)[C@@H]2C1 ZINC000333817394 290152175 /nfs/dbraw/zinc/15/21/75/290152175.db2.gz KIFBYMJMGVFQRF-FRRDWIJNSA-N 2 1 266.389 0.459 10 0 CCAEMP [NH3+]C1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCC1 ZINC000037812784 295201577 /nfs/dbraw/zinc/20/15/77/295201577.db2.gz FDKGJSIVMXNKHA-GFCCVEGCSA-N 2 1 251.374 0.955 10 0 CCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCCC1 ZINC000037812784 295201580 /nfs/dbraw/zinc/20/15/80/295201580.db2.gz FDKGJSIVMXNKHA-GFCCVEGCSA-N 2 1 251.374 0.955 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000389540348 545086675 /nfs/dbraw/zinc/08/66/75/545086675.db2.gz FQMBZDPBAPSPLH-AVGNSLFASA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392816899 329018788 /nfs/dbraw/zinc/01/87/88/329018788.db2.gz MRXGOEZSUADRHK-CHWSQXEVSA-N 2 1 251.374 0.753 10 0 CCAEMP C[NH+](C)C[C@H]1CCCN1[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000061643000 521873616 /nfs/dbraw/zinc/87/36/16/521873616.db2.gz ZKHPDFQNFYDTAH-HUUCEWRRSA-N 3 1 266.433 0.436 10 0 CCAEMP C[NH+]1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055145246 523879069 /nfs/dbraw/zinc/87/90/69/523879069.db2.gz IOXKPAHBQKKNMI-OLZOCXBDSA-N 2 1 253.390 0.916 10 0 CCAEMP O=C([C@H]1CCC[N@H+]1[C@@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000061590667 526540575 /nfs/dbraw/zinc/54/05/75/526540575.db2.gz RAAYMDIRKDCIID-CHWSQXEVSA-N 2 1 283.441 0.778 10 0 CCAEMP NNc1cc(C[NH+]2CCC(CC(N)=O)CC2)cc[nH+]1 ZINC000052722902 527274031 /nfs/dbraw/zinc/27/40/31/527274031.db2.gz VCEZHLGEEFVXFT-UHFFFAOYSA-N 2 1 263.345 0.455 10 0 CCAEMP [NH3+]C[C@]1([C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000669377313 545206023 /nfs/dbraw/zinc/20/60/23/545206023.db2.gz MGLYWXSENOHVKE-CVEARBPZSA-N 2 1 276.380 0.989 10 0 CCAEMP OCC[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000399016283 581207036 /nfs/dbraw/zinc/20/70/36/581207036.db2.gz DHLHUUZNZZXSCJ-LSDHHAIUSA-N 2 1 267.417 0.660 10 0 CCAEMP OCCN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000399016283 581207037 /nfs/dbraw/zinc/20/70/37/581207037.db2.gz DHLHUUZNZZXSCJ-LSDHHAIUSA-N 2 1 267.417 0.660 10 0 CCAEMP OCCN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000399016283 581207038 /nfs/dbraw/zinc/20/70/38/581207038.db2.gz DHLHUUZNZZXSCJ-LSDHHAIUSA-N 2 1 267.417 0.660 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900378407 614214479 /nfs/dbraw/zinc/21/44/79/614214479.db2.gz QUGJBPGQRAYGAF-IPYPFGDCSA-N 2 1 285.432 0.534 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668117 649708785 /nfs/dbraw/zinc/70/87/85/649708785.db2.gz JPEIBLIDBMJXNY-BFHYXJOUSA-N 2 1 281.400 0.356 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000251687431 649815263 /nfs/dbraw/zinc/81/52/63/649815263.db2.gz IEEPUJQHIIYNCI-UPJWGTAASA-N 2 1 269.389 0.435 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544177 349466600 /nfs/dbraw/zinc/46/66/00/349466600.db2.gz DNNIFKSZFODQCB-OLZOCXBDSA-N 2 1 269.389 0.295 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111269955 349768689 /nfs/dbraw/zinc/76/86/89/349768689.db2.gz JXTQPIUXAGUSSM-CHWSQXEVSA-N 2 1 269.389 0.023 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C ZINC000261721028 290103963 /nfs/dbraw/zinc/10/39/63/290103963.db2.gz KCYLVWHVRXVFHY-IGQOVBAYSA-N 2 1 283.416 0.275 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C ZINC000261721028 290103965 /nfs/dbraw/zinc/10/39/65/290103965.db2.gz KCYLVWHVRXVFHY-IGQOVBAYSA-N 2 1 283.416 0.275 10 0 CCAEMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000262415505 137042967 /nfs/dbraw/zinc/04/29/67/137042967.db2.gz RCTVMVDUXVITRF-AAEUAGOBSA-N 2 1 281.404 0.527 10 0 CCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1F ZINC000263252591 137061647 /nfs/dbraw/zinc/06/16/47/137061647.db2.gz QBLRBBYPCQUDAE-ZYHUDNBSSA-N 2 1 254.305 0.504 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1C ZINC000263267897 137062155 /nfs/dbraw/zinc/06/21/55/137062155.db2.gz RUTKPLOTRIBGAZ-CHWSQXEVSA-N 2 1 250.342 0.674 10 0 CCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000263283158 137062808 /nfs/dbraw/zinc/06/28/08/137062808.db2.gz UOJBZBFJTPDHDP-MXASKKJJSA-N 2 1 289.423 0.992 10 0 CCAEMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263222098 137060849 /nfs/dbraw/zinc/06/08/49/137060849.db2.gz MAFSFOPASKEEAI-XJKSGUPXSA-N 2 1 286.379 0.851 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054290999 348548147 /nfs/dbraw/zinc/54/81/47/348548147.db2.gz FYASOLXPIYQHIS-QWHCGFSZSA-N 2 1 253.390 0.834 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136206030 350418734 /nfs/dbraw/zinc/41/87/34/350418734.db2.gz VAEQQYPOUHDNFB-JSGCOSHPSA-N 2 1 253.390 0.977 10 0 CCAEMP CCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178293484 351227657 /nfs/dbraw/zinc/22/76/57/351227657.db2.gz BDOYETWBHLZZIP-GFCCVEGCSA-N 2 1 250.346 0.792 10 0 CCAEMP CCNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178293484 351227660 /nfs/dbraw/zinc/22/76/60/351227660.db2.gz BDOYETWBHLZZIP-GFCCVEGCSA-N 2 1 250.346 0.792 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181335565 351313684 /nfs/dbraw/zinc/31/36/84/351313684.db2.gz VEWXGLRKBGKVKB-CYBMUJFWSA-N 2 1 279.388 0.235 10 0 CCAEMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC[NH+](C)CC1 ZINC000192832298 351800170 /nfs/dbraw/zinc/80/01/70/351800170.db2.gz DYWFGWPGROSDCH-WZYMTQMTSA-N 3 1 280.460 0.837 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247235831 352406366 /nfs/dbraw/zinc/40/63/66/352406366.db2.gz RSLHVEUQTRUGNQ-GJZGRUSLSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000247235831 352406368 /nfs/dbraw/zinc/40/63/68/352406368.db2.gz RSLHVEUQTRUGNQ-GJZGRUSLSA-N 2 1 294.443 0.319 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000248955449 352469447 /nfs/dbraw/zinc/46/94/47/352469447.db2.gz BYTYGGPIXKIORJ-WRWGMCAJSA-N 2 1 257.353 0.531 10 0 CCAEMP [NH3+][C@H]1COC[C@H]1Nc1cc[nH+]cc1Br ZINC000306498783 354175105 /nfs/dbraw/zinc/17/51/05/354175105.db2.gz GYWXDUKTJZJUSY-IONNQARKSA-N 2 1 258.119 0.982 10 0 CCAEMP C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@H+]1CCC[C@@H](C)C1 ZINC000333948737 354819393 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COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333448661 205328870 /nfs/dbraw/zinc/32/88/70/205328870.db2.gz XEPZLRFOMHCFCD-QWHCGFSZSA-N 2 1 284.404 0.148 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000638115841 374682614 /nfs/dbraw/zinc/68/26/14/374682614.db2.gz JPKFNDHOIYYTRK-XFMPKHEZSA-N 2 1 281.400 0.449 10 0 CCAEMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C2CC2)CC1 ZINC000334955369 207353358 /nfs/dbraw/zinc/35/33/58/207353358.db2.gz LGADCJGGVVQDIT-FUNVUKJBSA-N 2 1 278.400 0.759 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000335286177 208104898 /nfs/dbraw/zinc/10/48/98/208104898.db2.gz WNSZCEPBQCZODR-UKRRQHHQSA-N 2 1 280.416 0.866 10 0 CCAEMP CC[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106386540 389092790 /nfs/dbraw/zinc/09/27/90/389092790.db2.gz JCLRFTQCRWNDAE-JKSUJKDBSA-N 2 1 299.459 0.484 10 0 CCAEMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC000305767991 389089218 /nfs/dbraw/zinc/08/92/18/389089218.db2.gz TYXXNECPYLTMOG-SWLSCSKDSA-N 2 1 295.427 0.432 10 0 CCAEMP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000313952911 389115939 /nfs/dbraw/zinc/11/59/39/389115939.db2.gz CJCAYCGGQRMBDI-CMPLNLGQSA-N 2 1 250.346 0.609 10 0 CCAEMP C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000237364108 389187457 /nfs/dbraw/zinc/18/74/57/389187457.db2.gz KDJUOYDRGUYVRX-MNOVXSKESA-N 2 1 257.378 0.067 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2ccnc2)CC1 ZINC000161680945 389409110 /nfs/dbraw/zinc/40/91/10/389409110.db2.gz QFTSROUKHRRJOF-AWEZNQCLSA-N 3 1 280.416 0.908 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000647971239 390235363 /nfs/dbraw/zinc/23/53/63/390235363.db2.gz ZQONXQGEKJVOPZ-KBPBESRZSA-N 2 1 257.422 0.571 10 0 CCAEMP COC[C@@]1(C(=O)NCC[N@@H+](C)C2CCCC2)CCC[NH2+]1 ZINC000649323303 390581023 /nfs/dbraw/zinc/58/10/23/390581023.db2.gz UQENIQIOOYOHEX-OAHLLOKOSA-N 2 1 283.416 0.746 10 0 CCAEMP Cc1[nH+]ccn1CCC[NH2+]CC1(O)CCOCC1 ZINC000571909040 390758744 /nfs/dbraw/zinc/75/87/44/390758744.db2.gz RSBIFQBQVQEOPH-UHFFFAOYSA-N 2 1 253.346 0.713 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000037643498 397384188 /nfs/dbraw/zinc/38/41/88/397384188.db2.gz YSLZYYYAZUBOKL-HIFPTAJRSA-N 2 1 253.390 0.962 10 0 CCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799555 397385438 /nfs/dbraw/zinc/38/54/38/397385438.db2.gz GUVNKWPWDIAKAO-QWHCGFSZSA-N 2 1 269.389 0.437 10 0 CCAEMP Cc1[nH+]ccn1CCNC(=O)C1CCC([NH3+])CC1 ZINC000310649031 411747990 /nfs/dbraw/zinc/74/79/90/411747990.db2.gz WUDIGCKVITYQPI-UHFFFAOYSA-N 2 1 250.346 0.825 10 0 CCAEMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C(=O)NC(N)=O ZINC000020361940 171160359 /nfs/dbraw/zinc/16/03/59/171160359.db2.gz DWZWYNDHTMSCBL-LBPRGKRZSA-N 2 1 292.383 0.682 10 0 CCAEMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C(=O)NC(N)=O ZINC000020361940 171160362 /nfs/dbraw/zinc/16/03/62/171160362.db2.gz DWZWYNDHTMSCBL-LBPRGKRZSA-N 2 1 292.383 0.682 10 0 CCAEMP COCCCNC(=O)[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000020365863 171164578 /nfs/dbraw/zinc/16/45/78/171164578.db2.gz FKPFOWSVUDFDQM-GFCCVEGCSA-N 2 1 273.421 0.705 10 0 CCAEMP C[C@@H]([NH2+]CCN1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210159 173031456 /nfs/dbraw/zinc/03/14/56/173031456.db2.gz GJJFPUJLVVWQEG-KGLIPLIRSA-N 2 1 255.406 0.639 10 0 CCAEMP C[NH+]1CCN(C(=O)CN(CC[NH3+])Cc2ccccc2)CC1 ZINC000038033249 174031009 /nfs/dbraw/zinc/03/10/09/174031009.db2.gz NBABQGWSLRSTDV-UHFFFAOYSA-N 2 1 290.411 0.221 10 0 CCAEMP NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000038041459 174042373 /nfs/dbraw/zinc/04/23/73/174042373.db2.gz TVTMUECEAMJQDQ-UHFFFAOYSA-N 2 1 269.370 0.176 10 0 CCAEMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C1CC1 ZINC000038043034 174048271 /nfs/dbraw/zinc/04/82/71/174048271.db2.gz OKXRDYBIBZKRQW-CYBMUJFWSA-N 2 1 251.374 0.824 10 0 CCAEMP CN(C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1)C1CC1 ZINC000038043034 174048272 /nfs/dbraw/zinc/04/82/72/174048272.db2.gz OKXRDYBIBZKRQW-CYBMUJFWSA-N 2 1 251.374 0.824 10 0 CCAEMP COCCOCCOCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662267691 414703162 /nfs/dbraw/zinc/70/31/62/414703162.db2.gz XSTBUJWWEPKQCY-RRFJBIMHSA-N 2 1 286.416 0.725 10 0 CCAEMP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1N(C)C ZINC000662278341 414704893 /nfs/dbraw/zinc/70/48/93/414704893.db2.gz FZFMIRZFZAUATH-JHJVBQTASA-N 2 1 253.390 0.389 10 0 CCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1N(C)C ZINC000662278341 414704894 /nfs/dbraw/zinc/70/48/94/414704894.db2.gz FZFMIRZFZAUATH-JHJVBQTASA-N 2 1 253.390 0.389 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])C1CCOCC1 ZINC000071188398 176062789 /nfs/dbraw/zinc/06/27/89/176062789.db2.gz QKKXDFANVNXYLC-JSGCOSHPSA-N 2 1 255.406 0.624 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1(C[NH3+])CCOCC1 ZINC000071189084 176064317 /nfs/dbraw/zinc/06/43/17/176064317.db2.gz IDWIOQYQBSNPDQ-LBPRGKRZSA-N 2 1 269.389 0.152 10 0 CCAEMP COCCC[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192320 176073526 /nfs/dbraw/zinc/07/35/26/176073526.db2.gz CFYONRVERCLXIX-UONOGXRCSA-N 2 1 257.422 0.885 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089461839 544514352 /nfs/dbraw/zinc/51/43/52/544514352.db2.gz KEULMXKAVVUUQI-VXGBXAGGSA-N 2 1 257.378 0.056 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C ZINC000261731133 544936656 /nfs/dbraw/zinc/93/66/56/544936656.db2.gz KWXALUDLJDVHFI-MELADBBJSA-N 2 1 283.416 0.683 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C ZINC000261731133 544936663 /nfs/dbraw/zinc/93/66/63/544936663.db2.gz KWXALUDLJDVHFI-MELADBBJSA-N 2 1 283.416 0.683 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088358124 279130444 /nfs/dbraw/zinc/13/04/44/279130444.db2.gz MUKDIMWHCOMGID-NEPJUHHUSA-N 2 1 257.378 0.067 10 0 CCAEMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333466642 279166626 /nfs/dbraw/zinc/16/66/26/279166626.db2.gz AHZRMTXHVGHAMZ-WCQYABFASA-N 2 1 272.368 0.472 10 0 CCAEMP CC[C@H](O)C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000174070643 288111331 /nfs/dbraw/zinc/11/13/31/288111331.db2.gz FAHGYEFMXVWTOC-HNNXBMFYSA-N 2 1 285.432 0.097 10 0 CCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261999836 279384835 /nfs/dbraw/zinc/38/48/35/279384835.db2.gz NIMAPQYKMTUKAX-NEPJUHHUSA-N 2 1 269.389 0.293 10 0 CCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261999836 279384838 /nfs/dbraw/zinc/38/48/38/279384838.db2.gz NIMAPQYKMTUKAX-NEPJUHHUSA-N 2 1 269.389 0.293 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000248854426 279392559 /nfs/dbraw/zinc/39/25/59/279392559.db2.gz CMDSWENGHQWAMW-WOPDTQHZSA-N 2 1 255.362 0.093 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000248854426 279392560 /nfs/dbraw/zinc/39/25/60/279392560.db2.gz CMDSWENGHQWAMW-WOPDTQHZSA-N 2 1 255.362 0.093 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000262133073 280057227 /nfs/dbraw/zinc/05/72/27/280057227.db2.gz GPPDSSXQCMQBLW-OCCSQVGLSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[C@@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247390484 280089024 /nfs/dbraw/zinc/08/90/24/280089024.db2.gz XBHBYXXOADRXCI-AAEUAGOBSA-N 2 1 271.405 0.275 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000116278155 290084776 /nfs/dbraw/zinc/08/47/76/290084776.db2.gz JDNHYBDYOJKKDM-GXTWGEPZSA-N 2 1 283.416 0.242 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399095972 545089015 /nfs/dbraw/zinc/08/90/15/545089015.db2.gz SNQGOLSZUZOMQU-XQLPTFJDSA-N 2 1 270.417 0.780 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399095972 545089016 /nfs/dbraw/zinc/08/90/16/545089016.db2.gz SNQGOLSZUZOMQU-XQLPTFJDSA-N 2 1 270.417 0.780 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399095972 545089017 /nfs/dbraw/zinc/08/90/17/545089017.db2.gz SNQGOLSZUZOMQU-XQLPTFJDSA-N 2 1 270.417 0.780 10 0 CCAEMP [NH3+]C[C@]1(N2CC[NH+](C3CC3)CC2)CCCSC1 ZINC000061590180 527243215 /nfs/dbraw/zinc/24/32/15/527243215.db2.gz ZAVNHHWJJWSYPF-CYBMUJFWSA-N 2 1 255.431 0.991 10 0 CCAEMP CC[NH2+][C@H](CC[N@H+](CCOC)C(CC)CC)C(N)=O ZINC000062525500 520189342 /nfs/dbraw/zinc/18/93/42/520189342.db2.gz BYKJZNBZUSDGIL-CYBMUJFWSA-N 2 1 273.421 0.977 10 0 CCAEMP CC[NH2+][C@H](CC[N@@H+](CCOC)C(CC)CC)C(N)=O ZINC000062525500 520189351 /nfs/dbraw/zinc/18/93/51/520189351.db2.gz BYKJZNBZUSDGIL-CYBMUJFWSA-N 2 1 273.421 0.977 10 0 CCAEMP CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCC[NH3+])C1 ZINC000049204341 521649546 /nfs/dbraw/zinc/64/95/46/521649546.db2.gz LIEWECXUJJCENG-NSHDSACASA-N 2 1 263.407 0.129 10 0 CCAEMP C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055145247 523879157 /nfs/dbraw/zinc/87/91/57/523879157.db2.gz IOXKPAHBQKKNMI-QWHCGFSZSA-N 2 1 253.390 0.916 10 0 CCAEMP C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055136282 525362384 /nfs/dbraw/zinc/36/23/84/525362384.db2.gz WCENWYOSIQNWPH-LPWJVIDDSA-N 2 1 253.390 0.960 10 0 CCAEMP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000055124325 525664294 /nfs/dbraw/zinc/66/42/94/525664294.db2.gz KIXWBZXPVKLDFZ-AVGNSLFASA-N 2 1 253.390 0.914 10 0 CCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc(OC)c1OC ZINC000263160033 536801631 /nfs/dbraw/zinc/80/16/31/536801631.db2.gz DUEIAKJNBJCLJQ-NWDGAFQWSA-N 2 1 296.367 0.382 10 0 CCAEMP CCCCOC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310912037 623592477 /nfs/dbraw/zinc/59/24/77/623592477.db2.gz DEEFNDCVRTVHDC-CRWXNKLISA-N 2 1 256.390 0.833 10 0 CCAEMP CC(C)(C[NH3+])c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000252698041 624469355 /nfs/dbraw/zinc/46/93/55/624469355.db2.gz KTERJDJULAPOQA-UWVGGRQHSA-N 2 1 266.345 0.842 10 0 CCAEMP CC(C)(C[NH3+])c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000252698041 624469356 /nfs/dbraw/zinc/46/93/56/624469356.db2.gz KTERJDJULAPOQA-UWVGGRQHSA-N 2 1 266.345 0.842 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCCCC[NH3+])C[C@H]1C ZINC000249092322 649740712 /nfs/dbraw/zinc/74/07/12/649740712.db2.gz WLLOQVZLVFHLJG-OLZOCXBDSA-N 2 1 271.405 0.419 10 0 CCAEMP CCC[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+](C)C ZINC000155648356 290698096 /nfs/dbraw/zinc/69/80/96/290698096.db2.gz HIVMZZLEHJMOPQ-CYBMUJFWSA-N 2 1 285.432 0.632 10 0 CCAEMP CN(C(=O)C1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261556748 137007907 /nfs/dbraw/zinc/00/79/07/137007907.db2.gz WGEVRLNYOJMUNN-OAHLLOKOSA-N 2 1 273.380 0.939 10 0 CCAEMP Fc1cncc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261592294 137011487 /nfs/dbraw/zinc/01/14/87/137011487.db2.gz MHPYGXQLZCGYKT-AWEZNQCLSA-N 2 1 264.348 0.700 10 0 CCAEMP Fc1cncc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261592294 137011488 /nfs/dbraw/zinc/01/14/88/137011488.db2.gz MHPYGXQLZCGYKT-AWEZNQCLSA-N 2 1 264.348 0.700 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000262198079 137030536 /nfs/dbraw/zinc/03/05/36/137030536.db2.gz ZTGZYWWAAAJARQ-PWSUYJOCSA-N 2 1 272.295 0.958 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000263285411 137063056 /nfs/dbraw/zinc/06/30/56/137063056.db2.gz UYGDPFSNHPMVEO-ONGXEEELSA-N 2 1 286.173 0.514 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000263305541 137063390 /nfs/dbraw/zinc/06/33/90/137063390.db2.gz XUJRPJWBIZKQTG-ZWNOBZJWSA-N 2 1 290.392 0.875 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000263305538 137063392 /nfs/dbraw/zinc/06/33/92/137063392.db2.gz XUJRPJWBIZKQTG-GWCFXTLKSA-N 2 1 290.392 0.875 10 0 CCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000045135555 348334149 /nfs/dbraw/zinc/33/41/49/348334149.db2.gz SXKQPCKXDGCYRR-CYBMUJFWSA-N 2 1 283.416 0.588 10 0 CCAEMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088357672 349360983 /nfs/dbraw/zinc/36/09/83/349360983.db2.gz WJPNOFCMFREXNI-QWHCGFSZSA-N 2 1 271.405 0.602 10 0 CCAEMP CC(C)[N@@H+](C)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131280125 350270237 /nfs/dbraw/zinc/27/02/37/350270237.db2.gz CAJKJZFYVHDQMU-UHFFFAOYSA-N 2 1 270.421 0.127 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136201721 350417803 /nfs/dbraw/zinc/41/78/03/350417803.db2.gz NLRRQYODFOFEOF-OCCSQVGLSA-N 2 1 253.390 0.977 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000167515543 350811209 /nfs/dbraw/zinc/81/12/09/350811209.db2.gz TWKYXMIIAPCSGU-UPJWGTAASA-N 2 1 251.374 0.539 10 0 CCAEMP Cc1cccc(N2CCC(NC(=O)[C@@H](C)[NH3+])CC2)[nH+]1 ZINC000169023765 350835131 /nfs/dbraw/zinc/83/51/31/350835131.db2.gz HCPIRILESZEHJL-LLVKDONJSA-N 2 1 262.357 0.822 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171639578 350922954 /nfs/dbraw/zinc/92/29/54/350922954.db2.gz RSLHVEUQTRUGNQ-HUUCEWRRSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171639578 350922958 /nfs/dbraw/zinc/92/29/58/350922958.db2.gz RSLHVEUQTRUGNQ-HUUCEWRRSA-N 2 1 294.443 0.319 10 0 CCAEMP O=C(NCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171897201 350941293 /nfs/dbraw/zinc/94/12/93/350941293.db2.gz FNDRYYBOCPTSIH-AWEZNQCLSA-N 2 1 296.415 0.198 10 0 CCAEMP O=C(NCCC[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171897201 350941295 /nfs/dbraw/zinc/94/12/95/350941295.db2.gz FNDRYYBOCPTSIH-AWEZNQCLSA-N 2 1 296.415 0.198 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C1CC1 ZINC000171907341 350942933 /nfs/dbraw/zinc/94/29/33/350942933.db2.gz IRVKPXIJELSGGI-GXTWGEPZSA-N 2 1 280.416 0.959 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+](C)C1CC1 ZINC000171907341 350942937 /nfs/dbraw/zinc/94/29/37/350942937.db2.gz IRVKPXIJELSGGI-GXTWGEPZSA-N 2 1 280.416 0.959 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000171907341 350942939 /nfs/dbraw/zinc/94/29/39/350942939.db2.gz IRVKPXIJELSGGI-GXTWGEPZSA-N 2 1 280.416 0.959 10 0 CCAEMP COCCOCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182889957 351371829 /nfs/dbraw/zinc/37/18/29/351371829.db2.gz LKDYICUXKXOQHO-INIZCTEOSA-N 2 1 299.459 0.751 10 0 CCAEMP COCCOCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182889957 351371831 /nfs/dbraw/zinc/37/18/31/351371831.db2.gz LKDYICUXKXOQHO-INIZCTEOSA-N 2 1 299.459 0.751 10 0 CCAEMP C[N@@H+]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000189338997 351670544 /nfs/dbraw/zinc/67/05/44/351670544.db2.gz BLTQOWJSNKFGGZ-UHFFFAOYSA-N 2 1 275.418 0.050 10 0 CCAEMP C[N@H+]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000189338997 351670547 /nfs/dbraw/zinc/67/05/47/351670547.db2.gz BLTQOWJSNKFGGZ-UHFFFAOYSA-N 2 1 275.418 0.050 10 0 CCAEMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC[NH+](C)CC1 ZINC000192832288 351800028 /nfs/dbraw/zinc/80/00/28/351800028.db2.gz DYWFGWPGROSDCH-HNSVSWJLSA-N 3 1 280.460 0.837 10 0 CCAEMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236903671 352226307 /nfs/dbraw/zinc/22/63/07/352226307.db2.gz GARQZUBMXLKJGE-OLZOCXBDSA-N 2 1 269.389 0.165 10 0 CCAEMP C[C@@H](C(=O)NC[C@H]1CN(C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203151 352316144 /nfs/dbraw/zinc/31/61/44/352316144.db2.gz ZWIUEGHAVAOUJN-CRWXNKLISA-N 2 1 283.416 0.695 10 0 CCAEMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247087758 352397213 /nfs/dbraw/zinc/39/72/13/352397213.db2.gz PPPBERVJVPPCOS-ZYHUDNBSSA-N 2 1 293.371 0.500 10 0 CCAEMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247087758 352397218 /nfs/dbraw/zinc/39/72/18/352397218.db2.gz PPPBERVJVPPCOS-ZYHUDNBSSA-N 2 1 293.371 0.500 10 0 CCAEMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000333012302 354744215 /nfs/dbraw/zinc/74/42/15/354744215.db2.gz BLLYTUZJONOFGQ-VXGBXAGGSA-N 2 1 262.357 0.971 10 0 CCAEMP CN1CCC[C@@H]1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000333012302 354744216 /nfs/dbraw/zinc/74/42/16/354744216.db2.gz BLLYTUZJONOFGQ-VXGBXAGGSA-N 2 1 262.357 0.971 10 0 CCAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000333936511 354817844 /nfs/dbraw/zinc/81/78/44/354817844.db2.gz KNAAOEONPMEBCU-OLZOCXBDSA-N 2 1 268.405 0.851 10 0 CCAEMP NC(=O)[C@]1(O)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000375477688 283362011 /nfs/dbraw/zinc/36/20/11/283362011.db2.gz FALKWBUJYNBQPQ-AWEZNQCLSA-N 2 1 269.389 0.175 10 0 CCAEMP NC(=O)[C@]1(O)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000375477688 283362012 /nfs/dbraw/zinc/36/20/12/283362012.db2.gz FALKWBUJYNBQPQ-AWEZNQCLSA-N 2 1 269.389 0.175 10 0 CCAEMP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178312067 189106163 /nfs/dbraw/zinc/10/61/63/189106163.db2.gz ACCZBHKJIPYXEF-GFCCVEGCSA-N 2 1 293.371 0.502 10 0 CCAEMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178312067 189106164 /nfs/dbraw/zinc/10/61/64/189106164.db2.gz ACCZBHKJIPYXEF-GFCCVEGCSA-N 2 1 293.371 0.502 10 0 CCAEMP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178320486 189107055 /nfs/dbraw/zinc/10/70/55/189107055.db2.gz ORVNOBJNWXAAEX-NSHDSACASA-N 2 1 279.344 0.112 10 0 CCAEMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178320486 189107056 /nfs/dbraw/zinc/10/70/56/189107056.db2.gz ORVNOBJNWXAAEX-NSHDSACASA-N 2 1 279.344 0.112 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000333399241 205288403 /nfs/dbraw/zinc/28/84/03/205288403.db2.gz PSKCIDBPVRXEMO-IJLUTSLNSA-N 2 1 266.389 0.520 10 0 CCAEMP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000334128653 206037723 /nfs/dbraw/zinc/03/77/23/206037723.db2.gz RPGXSIDGZKPJPI-QWHCGFSZSA-N 2 1 291.399 0.839 10 0 CCAEMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000334128653 206037726 /nfs/dbraw/zinc/03/77/26/206037726.db2.gz RPGXSIDGZKPJPI-QWHCGFSZSA-N 2 1 291.399 0.839 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCC[NH2+]1 ZINC000638109201 374675506 /nfs/dbraw/zinc/67/55/06/374675506.db2.gz SKSXZGRMBAYPSD-DZGCQCFKSA-N 2 1 281.400 0.452 10 0 CCAEMP COCCC1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000638728448 375324496 /nfs/dbraw/zinc/32/44/96/375324496.db2.gz RRXSSDQOZRFGLV-ZDUSSCGKSA-N 2 1 283.416 0.603 10 0 CCAEMP C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000334949536 207342337 /nfs/dbraw/zinc/34/23/37/207342337.db2.gz UQRDUIZRJKTHGZ-RYUDHWBXSA-N 2 1 266.389 0.640 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1C ZINC000333677256 285042415 /nfs/dbraw/zinc/04/24/15/285042415.db2.gz OFTGXDOVVIMJLQ-BFHYXJOUSA-N 2 1 298.431 0.489 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1C ZINC000333677256 285042417 /nfs/dbraw/zinc/04/24/17/285042417.db2.gz OFTGXDOVVIMJLQ-BFHYXJOUSA-N 2 1 298.431 0.489 10 0 CCAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251830116 285149915 /nfs/dbraw/zinc/14/99/15/285149915.db2.gz PLVDYYUQKUDLMA-XQHKEYJVSA-N 2 1 251.374 0.680 10 0 CCAEMP CCC[C@@H](C(=O)NCC[N@@H+](CC)CCO)[NH+](C)C ZINC000183976089 388767020 /nfs/dbraw/zinc/76/70/20/388767020.db2.gz BHQVPTFWEDIGMD-LBPRGKRZSA-N 2 1 259.394 0.147 10 0 CCAEMP CC(C)[NH2+]CCN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000193457813 389070092 /nfs/dbraw/zinc/07/00/92/389070092.db2.gz WWXTUCKJOZFFCN-KBPBESRZSA-N 2 1 255.406 0.637 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195132348 389116396 /nfs/dbraw/zinc/11/63/96/389116396.db2.gz JHIYMISTMBDCGE-STQMWFEESA-N 2 1 268.405 0.864 10 0 CCAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000195132348 389116398 /nfs/dbraw/zinc/11/63/98/389116398.db2.gz JHIYMISTMBDCGE-STQMWFEESA-N 2 1 268.405 0.864 10 0 CCAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000195132348 389116400 /nfs/dbraw/zinc/11/64/00/389116400.db2.gz JHIYMISTMBDCGE-STQMWFEESA-N 2 1 268.405 0.864 10 0 CCAEMP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000179251371 389648220 /nfs/dbraw/zinc/64/82/20/389648220.db2.gz ODTOZABBJMLOSA-HNNXBMFYSA-N 2 1 267.417 0.879 10 0 CCAEMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000179251371 389648224 /nfs/dbraw/zinc/64/82/24/389648224.db2.gz ODTOZABBJMLOSA-HNNXBMFYSA-N 2 1 267.417 0.879 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]12 ZINC000567270826 390685538 /nfs/dbraw/zinc/68/55/38/390685538.db2.gz PZRFSMPSUOAFOO-ZOBORPQBSA-N 2 1 254.374 0.851 10 0 CCAEMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000246513427 287266495 /nfs/dbraw/zinc/26/64/95/287266495.db2.gz QSKLOODRYZGCMB-ZIAGYGMSSA-N 2 1 283.416 0.746 10 0 CCAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000246513427 287266501 /nfs/dbraw/zinc/26/65/01/287266501.db2.gz QSKLOODRYZGCMB-ZIAGYGMSSA-N 2 1 283.416 0.746 10 0 CCAEMP CC[C@@H]1CN([C@]2(C[NH3+])C[NH+]3CCC2CC3)CCO1 ZINC000036769482 172688464 /nfs/dbraw/zinc/68/84/64/172688464.db2.gz KXFYJXRFZHEDCO-ZIAGYGMSSA-N 2 1 253.390 0.520 10 0 CCAEMP CC[C@H](CC[NH3+])N1CCC[N@@H+](C[C@@H](C)C(N)=O)CC1 ZINC000037227042 173047472 /nfs/dbraw/zinc/04/74/72/173047472.db2.gz SGQQWEBTAMDTRY-CHWSQXEVSA-N 2 1 270.421 0.243 10 0 CCAEMP CN(C)C(=O)C[N@H+](C)C[C@@H](O)c1ccc(C[NH3+])cc1 ZINC000037270216 173082340 /nfs/dbraw/zinc/08/23/40/173082340.db2.gz MMIIWVXAEJHCPA-CYBMUJFWSA-N 2 1 265.357 0.199 10 0 CCAEMP CN(C)C(=O)C[N@@H+](C)C[C@@H](O)c1ccc(C[NH3+])cc1 ZINC000037270216 173082346 /nfs/dbraw/zinc/08/23/46/173082346.db2.gz MMIIWVXAEJHCPA-CYBMUJFWSA-N 2 1 265.357 0.199 10 0 CCAEMP COCCOCCOCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662267699 414703284 /nfs/dbraw/zinc/70/32/84/414703284.db2.gz XSTBUJWWEPKQCY-ZNMIVQPWSA-N 2 1 286.416 0.725 10 0 CCAEMP COCCOCCOCCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000662275713 414704739 /nfs/dbraw/zinc/70/47/39/414704739.db2.gz DLGLRZZNFJURCT-QWHCGFSZSA-N 2 1 260.378 0.335 10 0 CCAEMP COCCOCCOCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000662275713 414704740 /nfs/dbraw/zinc/70/47/40/414704740.db2.gz DLGLRZZNFJURCT-QWHCGFSZSA-N 2 1 260.378 0.335 10 0 CCAEMP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000662844793 414837007 /nfs/dbraw/zinc/83/70/07/414837007.db2.gz BFCFPUIWMXLYCN-NEPJUHHUSA-N 2 1 269.389 0.211 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000662844793 414837012 /nfs/dbraw/zinc/83/70/12/414837012.db2.gz BFCFPUIWMXLYCN-NEPJUHHUSA-N 2 1 269.389 0.211 10 0 CCAEMP CCC[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071191052 176067769 /nfs/dbraw/zinc/06/77/69/176067769.db2.gz QZHAEBNFEUBCNG-OLZOCXBDSA-N 2 1 270.421 0.114 10 0 CCAEMP C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000220564260 544816430 /nfs/dbraw/zinc/81/64/30/544816430.db2.gz GFRNTWSOJYLPCH-LSDHHAIUSA-N 2 1 267.417 0.783 10 0 CCAEMP O=C(N1CC[N@H+]2CCC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223762939 544826369 /nfs/dbraw/zinc/82/63/69/544826369.db2.gz XJRVFXDGUXRCDT-ZYHUDNBSSA-N 2 1 291.317 0.835 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250219623 544922445 /nfs/dbraw/zinc/92/24/45/544922445.db2.gz DPVLBWQAXFMRDX-RWMBFGLXSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000252651278 544930490 /nfs/dbraw/zinc/93/04/90/544930490.db2.gz GVQHRYJNGHIPSR-YNEHKIRRSA-N 2 1 253.390 0.833 10 0 CCAEMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262098261 544938798 /nfs/dbraw/zinc/93/87/98/544938798.db2.gz IHWBNILTROLSSX-TZMCWYRMSA-N 2 1 273.336 0.610 10 0 CCAEMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C1 ZINC000091304067 277189026 /nfs/dbraw/zinc/18/90/26/277189026.db2.gz XFYAVPDNNNKVPI-MNOVXSKESA-N 2 1 255.362 0.886 10 0 CCAEMP CC1(C)C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] ZINC000261698949 278341153 /nfs/dbraw/zinc/34/11/53/278341153.db2.gz HZMMQUHLUKWZBD-RYUDHWBXSA-N 2 1 251.374 0.809 10 0 CCAEMP CC1(C)C[N@H+]([C@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] ZINC000261698949 278341155 /nfs/dbraw/zinc/34/11/55/278341155.db2.gz HZMMQUHLUKWZBD-RYUDHWBXSA-N 2 1 251.374 0.809 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@H](C)C2C[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000262467692 280374406 /nfs/dbraw/zinc/37/44/06/280374406.db2.gz XZDUDORNEWUIAI-OUCADQQQSA-N 2 1 283.416 0.146 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000333777739 290098329 /nfs/dbraw/zinc/09/83/29/290098329.db2.gz DFAMYEZFXIRXFY-MELADBBJSA-N 2 1 298.431 0.225 10 0 CCAEMP [NH3+]C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333944162 295252783 /nfs/dbraw/zinc/25/27/83/295252783.db2.gz RREJYIKYQUJHRY-AVGNSLFASA-N 2 1 266.389 0.746 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000247508665 297097982 /nfs/dbraw/zinc/09/79/82/297097982.db2.gz VQWDWUCOLVBDKB-OCCSQVGLSA-N 2 1 280.416 0.959 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000174601528 335159945 /nfs/dbraw/zinc/15/99/45/335159945.db2.gz YDLABRDNUBZQRG-ZIAGYGMSSA-N 2 1 285.432 0.630 10 0 CCAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CCCOC)C(N)=O ZINC000062034757 520034278 /nfs/dbraw/zinc/03/42/78/520034278.db2.gz VKZCVRCKZDFNKC-AWEZNQCLSA-N 2 1 273.421 0.979 10 0 CCAEMP CC[NH2+][C@@H](C)CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061271378 520065432 /nfs/dbraw/zinc/06/54/32/520065432.db2.gz LYQHRUMIRLIOIZ-RYUDHWBXSA-N 2 1 253.390 0.975 10 0 CCAEMP CCC[N@H+](CCN(C)C)CCn1cc(C[NH2+]C)nn1 ZINC000052544205 521656815 /nfs/dbraw/zinc/65/68/15/521656815.db2.gz ZPNRIQWDRLYHKE-UHFFFAOYSA-N 2 1 268.409 0.271 10 0 CCAEMP CCC[N@@H+](CCN(C)C)CCn1cc(C[NH2+]C)nn1 ZINC000052544205 521656817 /nfs/dbraw/zinc/65/68/17/521656817.db2.gz ZPNRIQWDRLYHKE-UHFFFAOYSA-N 2 1 268.409 0.271 10 0 CCAEMP COCC[C@@H]([NH3+])C(=O)NCCCC[N@@H+](C)C(C)C ZINC000052810336 521821410 /nfs/dbraw/zinc/82/14/10/521821410.db2.gz WLFBCLKANPROIM-GFCCVEGCSA-N 2 1 259.394 0.587 10 0 CCAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CCOC)[C@@H](C)COC)O1 ZINC000052572427 522093767 /nfs/dbraw/zinc/09/37/67/522093767.db2.gz CUVTUBHBTGXZPE-MJBXVCDLSA-N 2 1 274.405 0.737 10 0 CCAEMP C[NH+]1CCN(C(=O)COCC[C@H]2CCCC[NH2+]2)CC1 ZINC000051862153 523874124 /nfs/dbraw/zinc/87/41/24/523874124.db2.gz BUXJWONDGYMUML-CYBMUJFWSA-N 2 1 269.389 0.309 10 0 CCAEMP COC(=O)[C@H]([NH3+])CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062523742 523911203 /nfs/dbraw/zinc/91/12/03/523911203.db2.gz PWLXTHWRBJBCHJ-LLVKDONJSA-N 2 1 257.378 0.293 10 0 CCAEMP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000157767629 527238992 /nfs/dbraw/zinc/23/89/92/527238992.db2.gz BXPKOAIAQOAAKE-XQHKEYJVSA-N 2 1 267.373 0.236 10 0 CCAEMP C[C@H](CCCCO)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000398407040 581187998 /nfs/dbraw/zinc/18/79/98/581187998.db2.gz AACMSDGFQGZBQE-ZIAGYGMSSA-N 2 1 258.406 0.974 10 0 CCAEMP CC(C)(C[NH3+])c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000137527927 614088637 /nfs/dbraw/zinc/08/86/37/614088637.db2.gz KTERJDJULAPOQA-ZJUUUORDSA-N 2 1 266.345 0.842 10 0 CCAEMP CC(C)(C[NH3+])c1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000137527927 614088641 /nfs/dbraw/zinc/08/86/41/614088641.db2.gz KTERJDJULAPOQA-ZJUUUORDSA-N 2 1 266.345 0.842 10 0 CCAEMP O[C@@H](CN1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000311254040 623683356 /nfs/dbraw/zinc/68/33/56/623683356.db2.gz QEEVCZXMWCGOST-HUUCEWRRSA-N 2 1 267.417 0.613 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000124099879 646264604 /nfs/dbraw/zinc/26/46/04/646264604.db2.gz NDSDUHPTUMWIQV-RTXFEEFZSA-N 2 1 251.374 0.809 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCCCC[NH3+])C[C@@H]1C ZINC000249092325 649740676 /nfs/dbraw/zinc/74/06/76/649740676.db2.gz WLLOQVZLVFHLJG-STQMWFEESA-N 2 1 271.405 0.419 10 0 CCAEMP C([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCOCC1 ZINC000091662408 349472409 /nfs/dbraw/zinc/47/24/09/349472409.db2.gz JZOCISFVLTWSKU-UONOGXRCSA-N 2 1 254.374 0.866 10 0 CCAEMP C([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCOCC1 ZINC000091662408 349472414 /nfs/dbraw/zinc/47/24/14/349472414.db2.gz JZOCISFVLTWSKU-UONOGXRCSA-N 2 1 254.374 0.866 10 0 CCAEMP COCCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845997 349725696 /nfs/dbraw/zinc/72/56/96/349725696.db2.gz DVTXBAZBUCMNKG-INIZCTEOSA-N 2 1 299.459 0.750 10 0 CCAEMP CCC[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+](C)C ZINC000155648241 290697863 /nfs/dbraw/zinc/69/78/63/290697863.db2.gz HIVMZZLEHJMOPQ-ZDUSSCGKSA-N 2 1 285.432 0.632 10 0 CCAEMP CC1(C)C[N@H+](CCN2C(=O)CCC2=O)CC[C@@H]1[NH3+] ZINC000261563925 137008439 /nfs/dbraw/zinc/00/84/39/137008439.db2.gz HBICITYOHWKBSW-JTQLQIEISA-N 2 1 253.346 0.195 10 0 CCAEMP CC1(C)C[N@@H+](CCN2C(=O)CCC2=O)CC[C@@H]1[NH3+] ZINC000261563925 137008440 /nfs/dbraw/zinc/00/84/40/137008440.db2.gz HBICITYOHWKBSW-JTQLQIEISA-N 2 1 253.346 0.195 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)C[C@@H]1C ZINC000262402441 137042173 /nfs/dbraw/zinc/04/21/73/137042173.db2.gz PPTKTJIDGKZPIB-NWDGAFQWSA-N 2 1 269.389 0.021 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)C[C@@H]1C ZINC000262402441 137042174 /nfs/dbraw/zinc/04/21/74/137042174.db2.gz PPTKTJIDGKZPIB-NWDGAFQWSA-N 2 1 269.389 0.021 10 0 CCAEMP Cc1cccc2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)n21 ZINC000263129534 137058994 /nfs/dbraw/zinc/05/89/94/137058994.db2.gz BOFFZKFPFKPZNI-DGCLKSJQSA-N 2 1 260.341 0.313 10 0 CCAEMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000261856461 137022856 /nfs/dbraw/zinc/02/28/56/137022856.db2.gz VYXWFWRYVYBDIA-QLFBSQMISA-N 2 1 289.379 0.176 10 0 CCAEMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262316302 137037250 /nfs/dbraw/zinc/03/72/50/137037250.db2.gz QWLZRDGKQXJMGS-NWDGAFQWSA-N 2 1 280.372 0.093 10 0 CCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263252590 137061602 /nfs/dbraw/zinc/06/16/02/137061602.db2.gz QBLRBBYPCQUDAE-PWSUYJOCSA-N 2 1 254.305 0.504 10 0 CCAEMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263256262 137061808 /nfs/dbraw/zinc/06/18/08/137061808.db2.gz QMPNBRCMKCTKOP-YGRLFVJLSA-N 2 1 266.389 0.215 10 0 CCAEMP Cc1ccc2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)n2c1 ZINC000263268775 137061987 /nfs/dbraw/zinc/06/19/87/137061987.db2.gz RWGDRMDRWQYONM-DGCLKSJQSA-N 2 1 260.341 0.313 10 0 CCAEMP C[C@H](CNC(=O)C1C[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000263298967 137063326 /nfs/dbraw/zinc/06/33/26/137063326.db2.gz NAKWNIADNWRTDK-SNVBAGLBSA-N 2 1 279.409 0.830 10 0 CCAEMP C[C@H](CNC(=O)C1C[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000263298967 137063327 /nfs/dbraw/zinc/06/33/27/137063327.db2.gz NAKWNIADNWRTDK-SNVBAGLBSA-N 2 1 279.409 0.830 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291002 348548087 /nfs/dbraw/zinc/54/80/87/348548087.db2.gz FYASOLXPIYQHIS-STQMWFEESA-N 2 1 253.390 0.834 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000083704059 349309988 /nfs/dbraw/zinc/30/99/88/349309988.db2.gz PSNCRBOWNGNBOK-UPJWGTAASA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129806550 350223011 /nfs/dbraw/zinc/22/30/11/350223011.db2.gz GRPYBGRGSYWEPZ-UONOGXRCSA-N 2 1 294.443 0.365 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[N@H+]1C ZINC000158098059 350653604 /nfs/dbraw/zinc/65/36/04/350653604.db2.gz JHPDTOHOHHEOAR-FDYHWXHSSA-N 2 1 253.390 0.973 10 0 CCAEMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1COCC[NH2+]1 ZINC000168740607 350830990 /nfs/dbraw/zinc/83/09/90/350830990.db2.gz ZTPVSHNOHPUMDR-AWEZNQCLSA-N 2 1 283.416 0.747 10 0 CCAEMP CC[N@@H+](CC(=O)N1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000179168955 351260069 /nfs/dbraw/zinc/26/00/69/351260069.db2.gz YTPNSYJKNJAUJW-CYBMUJFWSA-N 2 1 251.374 0.777 10 0 CCAEMP CC[NH+](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000179168955 351260071 /nfs/dbraw/zinc/26/00/71/351260071.db2.gz YTPNSYJKNJAUJW-CYBMUJFWSA-N 2 1 251.374 0.777 10 0 CCAEMP CC[NH+](CC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000179168955 351260075 /nfs/dbraw/zinc/26/00/75/351260075.db2.gz YTPNSYJKNJAUJW-CYBMUJFWSA-N 2 1 251.374 0.777 10 0 CCAEMP [NH3+]Cc1nc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cs1 ZINC000186506616 351499588 /nfs/dbraw/zinc/49/95/88/351499588.db2.gz GKLBEMIXGOMNIZ-VIFPVBQESA-N 2 1 280.397 0.958 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000251826896 352511702 /nfs/dbraw/zinc/51/17/02/352511702.db2.gz PGYAESKANASDMX-AAEUAGOBSA-N 2 1 251.374 0.824 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000154545034 188150116 /nfs/dbraw/zinc/15/01/16/188150116.db2.gz VJLRMVAFWFCHSQ-GXSJLCMTSA-N 2 1 279.344 0.239 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000154545034 188150117 /nfs/dbraw/zinc/15/01/17/188150117.db2.gz VJLRMVAFWFCHSQ-GXSJLCMTSA-N 2 1 279.344 0.239 10 0 CCAEMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000335939211 283040023 /nfs/dbraw/zinc/04/00/23/283040023.db2.gz TZVPGAUEWCVVRF-CHWSQXEVSA-N 2 1 251.374 0.635 10 0 CCAEMP C[NH+]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000335939211 283040024 /nfs/dbraw/zinc/04/00/24/283040024.db2.gz TZVPGAUEWCVVRF-CHWSQXEVSA-N 2 1 251.374 0.635 10 0 CCAEMP C[NH+]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000335939211 283040025 /nfs/dbraw/zinc/04/00/25/283040025.db2.gz TZVPGAUEWCVVRF-CHWSQXEVSA-N 2 1 251.374 0.635 10 0 CCAEMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333659785 354771741 /nfs/dbraw/zinc/77/17/41/354771741.db2.gz LIQIQSFLMRHFFP-AWEZNQCLSA-N 2 1 298.431 0.492 10 0 CCAEMP C[C@H]1CN(C(=O)NC2C[NH2+]C2)CC[N@H+](C2CCC2)C1 ZINC000335395909 354995866 /nfs/dbraw/zinc/99/58/66/354995866.db2.gz NDFSMMGXSSBXLJ-LLVKDONJSA-N 2 1 266.389 0.474 10 0 CCAEMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841382 370708080 /nfs/dbraw/zinc/70/80/80/370708080.db2.gz JZMJHOKDKMBFFB-SRVKXCTJSA-N 2 1 257.378 0.054 10 0 CCAEMP O=C([C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCC(O)CC1 ZINC000038042930 296109067 /nfs/dbraw/zinc/10/90/67/296109067.db2.gz RYXGYZUXHGKFGH-CQSZACIVSA-N 2 1 281.400 0.186 10 0 CCAEMP O=C([C@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC(O)CC1 ZINC000038042930 296109070 /nfs/dbraw/zinc/10/90/70/296109070.db2.gz RYXGYZUXHGKFGH-CQSZACIVSA-N 2 1 281.400 0.186 10 0 CCAEMP COC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171973335 285244662 /nfs/dbraw/zinc/24/46/62/285244662.db2.gz HZXOUMMLAPJJPB-OCCSQVGLSA-N 2 1 274.405 0.018 10 0 CCAEMP C=CCc1ccccc1OC[C@H](O)C[NH2+]CC[NH3+] ZINC000205678833 389129964 /nfs/dbraw/zinc/12/99/64/389129964.db2.gz RWRGAVDUFICLTI-CYBMUJFWSA-N 2 1 250.342 0.703 10 0 CCAEMP CCN1CC[NH+]([C@@H]2CCN(CC[NH2+]C(C)C)C2)CC1 ZINC000191488397 285334593 /nfs/dbraw/zinc/33/45/93/285334593.db2.gz RKSRWCZDOVOCTR-OAHLLOKOSA-N 2 1 268.449 0.696 10 0 CCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000333394486 389411798 /nfs/dbraw/zinc/41/17/98/389411798.db2.gz PERNYEFLTNGHDV-WXHSDQCUSA-N 2 1 266.389 0.602 10 0 CCAEMP [NH3+]C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333944163 389450437 /nfs/dbraw/zinc/45/04/37/389450437.db2.gz RREJYIKYQUJHRY-RWMBFGLXSA-N 2 1 266.389 0.746 10 0 CCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398728377 389784669 /nfs/dbraw/zinc/78/46/69/389784669.db2.gz KHCQVVTXVFAXHQ-DGAVXFQQSA-N 2 1 256.390 0.392 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398728377 389784672 /nfs/dbraw/zinc/78/46/72/389784672.db2.gz KHCQVVTXVFAXHQ-DGAVXFQQSA-N 2 1 256.390 0.392 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398728377 389784676 /nfs/dbraw/zinc/78/46/76/389784676.db2.gz KHCQVVTXVFAXHQ-DGAVXFQQSA-N 2 1 256.390 0.392 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398728377 389784679 /nfs/dbraw/zinc/78/46/79/389784679.db2.gz KHCQVVTXVFAXHQ-DGAVXFQQSA-N 2 1 256.390 0.392 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[NH+](CC3CC3)CC2)CCC[NH2+]1 ZINC000649299260 390559277 /nfs/dbraw/zinc/55/92/77/390559277.db2.gz COFPIEVMQOGXCG-OAHLLOKOSA-N 2 1 281.400 0.309 10 0 CCAEMP COC[C@]1(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CCC[NH2+]1 ZINC000649335219 390591478 /nfs/dbraw/zinc/59/14/78/390591478.db2.gz LYZFSLHVPYGLKJ-YDHLFZDLSA-N 2 1 281.400 0.450 10 0 CCAEMP COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000649310380 390569241 /nfs/dbraw/zinc/56/92/41/390569241.db2.gz AQWZFPFEMBYMNW-JSGCOSHPSA-N 2 1 269.389 0.213 10 0 CCAEMP NC(=O)C1([NH3+])CCN(c2cc[nH+]cc2Cl)CC1 ZINC000584636482 397583284 /nfs/dbraw/zinc/58/32/84/397583284.db2.gz RYOOTPLLFPAPFD-UHFFFAOYSA-N 2 1 254.721 0.518 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300521734 411743528 /nfs/dbraw/zinc/74/35/28/411743528.db2.gz LTTZUSAXSYSJKS-FVCCEPFGSA-N 2 1 251.374 0.585 10 0 CCAEMP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000019486397 170812483 /nfs/dbraw/zinc/81/24/83/170812483.db2.gz ABWNCGTWJDLDHD-CVEARBPZSA-N 2 1 285.391 0.911 10 0 CCAEMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653114293 412225535 /nfs/dbraw/zinc/22/55/35/412225535.db2.gz CUFLWTUNCKHHNS-NXEZZACHSA-N 2 1 290.289 0.706 10 0 CCAEMP CN(C)[C@@H]1CCC[N@H+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273945 545889486 /nfs/dbraw/zinc/88/94/86/545889486.db2.gz XGHNTDWYUCBKCG-CQSZACIVSA-N 2 1 254.422 0.436 10 0 CCAEMP C[NH+](C)[C@@H]1CCCN(C2CCN(CC[NH3+])CC2)C1 ZINC000725273945 545889492 /nfs/dbraw/zinc/88/94/92/545889492.db2.gz XGHNTDWYUCBKCG-CQSZACIVSA-N 2 1 254.422 0.436 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C ZINC000261787273 544936870 /nfs/dbraw/zinc/93/68/70/544936870.db2.gz PVOMOXOWJXZTOC-XDQVBPFNSA-N 2 1 283.416 0.417 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000261712829 544937045 /nfs/dbraw/zinc/93/70/45/544937045.db2.gz JJXIRRLIHARYBN-YNEHKIRRSA-N 2 1 251.374 0.811 10 0 CCAEMP Cc1cc(C)n2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cnc2n1 ZINC000262143686 544942094 /nfs/dbraw/zinc/94/20/94/544942094.db2.gz PZUSOYANVQLZKW-DGCLKSJQSA-N 2 1 275.356 0.016 10 0 CCAEMP C(C[N@H+]1CC[C@H](N2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000062980721 275393377 /nfs/dbraw/zinc/39/33/77/275393377.db2.gz MGKPZJPUCNBHDD-HNNXBMFYSA-N 2 1 267.417 0.783 10 0 CCAEMP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CCC[NH+]1CC ZINC000386178547 545085916 /nfs/dbraw/zinc/08/59/16/545085916.db2.gz TZEWFYZDFNVLDC-ZIAGYGMSSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH+](C)C[C@@H](O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000386178547 545085917 /nfs/dbraw/zinc/08/59/17/545085917.db2.gz TZEWFYZDFNVLDC-ZIAGYGMSSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH+](C)C[C@@H](O)CN(C)C[C@H]1CCC[N@H+]1CC ZINC000386178547 545085918 /nfs/dbraw/zinc/08/59/18/545085918.db2.gz TZEWFYZDFNVLDC-ZIAGYGMSSA-N 2 1 257.422 0.715 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000389644757 545086771 /nfs/dbraw/zinc/08/67/71/545086771.db2.gz MDNFLYHRSNXGGB-AVGNSLFASA-N 2 1 253.390 0.975 10 0 CCAEMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCCC[NH2+]1 ZINC000394377365 545088191 /nfs/dbraw/zinc/08/81/91/545088191.db2.gz CPFQCGXDMICVHF-UKRRQHHQSA-N 2 1 280.416 0.025 10 0 CCAEMP CCCO[C@H]1CCC[N@H+](CC[C@H]([NH2+]CC)C(N)=O)C1 ZINC000062526824 520284936 /nfs/dbraw/zinc/28/49/36/520284936.db2.gz QMNDTFWNUWZXDZ-STQMWFEESA-N 2 1 271.405 0.731 10 0 CCAEMP CCCO[C@H]1CCC[N@@H+](CC[C@H]([NH2+]CC)C(N)=O)C1 ZINC000062526824 520284941 /nfs/dbraw/zinc/28/49/41/520284941.db2.gz QMNDTFWNUWZXDZ-STQMWFEESA-N 2 1 271.405 0.731 10 0 CCAEMP CC[N@H+](CC[C@H]([NH2+]C(C)C)C(N)=O)[C@@H](C)COC ZINC000062456933 521157898 /nfs/dbraw/zinc/15/78/98/521157898.db2.gz HJFXBRLAOLOHDL-RYUDHWBXSA-N 2 1 259.394 0.585 10 0 CCAEMP CC[N@@H+](CC[C@H]([NH2+]C(C)C)C(N)=O)[C@@H](C)COC ZINC000062456933 521157903 /nfs/dbraw/zinc/15/79/03/521157903.db2.gz HJFXBRLAOLOHDL-RYUDHWBXSA-N 2 1 259.394 0.585 10 0 CCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557547 521741561 /nfs/dbraw/zinc/74/15/61/521741561.db2.gz QQBSPJQLSXHTCR-VHSXEESVSA-N 2 1 258.366 0.150 10 0 CCAEMP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000163426371 524403837 /nfs/dbraw/zinc/40/38/37/524403837.db2.gz KTGZJIGJFRKDMC-ZIAGYGMSSA-N 2 1 298.431 0.300 10 0 CCAEMP [NH3+]Cc1cn(CC[N@H+]2CCc3ccccc3C2)nn1 ZINC000052419125 527262886 /nfs/dbraw/zinc/26/28/86/527262886.db2.gz DIXGAKYSDIITSL-UHFFFAOYSA-N 2 1 257.341 0.795 10 0 CCAEMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1COCC[NH2+]1 ZINC000262660703 536406202 /nfs/dbraw/zinc/40/62/02/536406202.db2.gz XNJJZUSDQLUODS-CHWSQXEVSA-N 2 1 269.389 0.308 10 0 CCAEMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1COCC[NH2+]1 ZINC000262660703 536406204 /nfs/dbraw/zinc/40/62/04/536406204.db2.gz XNJJZUSDQLUODS-CHWSQXEVSA-N 2 1 269.389 0.308 10 0 CCAEMP COC(=O)[C@]12C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]1COCC2 ZINC000261820259 631632536 /nfs/dbraw/zinc/63/25/36/631632536.db2.gz QKLRSXLPUIIBIR-VNHYZAJKSA-N 2 1 282.384 0.498 10 0 CCAEMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)n2ncnc2n1 ZINC000322074840 639954792 /nfs/dbraw/zinc/95/47/92/639954792.db2.gz FLBCUJLQTBRWLA-UHFFFAOYSA-N 2 1 275.360 0.268 10 0 CCAEMP [NH3+]C1CC[NH+](CCNc2ccc3nccnc3n2)CC1 ZINC000322253474 639956903 /nfs/dbraw/zinc/95/69/03/639956903.db2.gz QQBZYMNRMBDPLG-UHFFFAOYSA-N 2 1 272.356 0.860 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CCOC ZINC000092629885 649725741 /nfs/dbraw/zinc/72/57/41/649725741.db2.gz IJUBGNROTYQVFB-VXGBXAGGSA-N 2 1 257.378 0.293 10 0 CCAEMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326131 362222356 /nfs/dbraw/zinc/22/23/56/362222356.db2.gz KHEDJZLAXYLHST-WDEREUQCSA-N 2 1 270.377 0.139 10 0 CCAEMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326131 362222363 /nfs/dbraw/zinc/22/23/63/362222363.db2.gz KHEDJZLAXYLHST-WDEREUQCSA-N 2 1 270.377 0.139 10 0 CCAEMP Cn1cnc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC000263180974 137059777 /nfs/dbraw/zinc/05/97/77/137059777.db2.gz GUJDTVZKXCUACW-FZMZJTMJSA-N 2 1 260.341 0.243 10 0 CCAEMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263110408 137058394 /nfs/dbraw/zinc/05/83/94/137058394.db2.gz AGDZPGZEKJSMRQ-OCCSQVGLSA-N 2 1 280.416 0.925 10 0 CCAEMP O=C(C1C[NH2+]C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000262167265 137029467 /nfs/dbraw/zinc/02/94/67/137029467.db2.gz BWISTQAGUKPFBX-SMDDNHRTSA-N 2 1 263.385 0.681 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000311688563 137075492 /nfs/dbraw/zinc/07/54/92/137075492.db2.gz KIWWWDQFVBXETR-HUUCEWRRSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311688563 137075493 /nfs/dbraw/zinc/07/54/93/137075493.db2.gz KIWWWDQFVBXETR-HUUCEWRRSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311688563 137075494 /nfs/dbraw/zinc/07/54/94/137075494.db2.gz KIWWWDQFVBXETR-HUUCEWRRSA-N 2 1 269.433 0.858 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000263205702 137060325 /nfs/dbraw/zinc/06/03/25/137060325.db2.gz JQYQQKMKUWVRQF-FZMZJTMJSA-N 2 1 273.340 0.142 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000054307502 348549423 /nfs/dbraw/zinc/54/94/23/348549423.db2.gz XNMBBGGJRBXMKW-QWHCGFSZSA-N 2 1 265.401 0.977 10 0 CCAEMP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)C[NH+]1CCCCC1 ZINC000088371244 349363934 /nfs/dbraw/zinc/36/39/34/349363934.db2.gz PJRYWNKZUQGZPC-STQMWFEESA-N 2 1 269.389 0.213 10 0 CCAEMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000173504597 351041989 /nfs/dbraw/zinc/04/19/89/351041989.db2.gz VFKQOPSHYFXAOT-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173504597 351041994 /nfs/dbraw/zinc/04/19/94/351041994.db2.gz VFKQOPSHYFXAOT-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173504597 351041997 /nfs/dbraw/zinc/04/19/97/351041997.db2.gz VFKQOPSHYFXAOT-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186539806 351502932 /nfs/dbraw/zinc/50/29/32/351502932.db2.gz QXBGTRVPMMLTQG-GXTWGEPZSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[N@H+]1CCO[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186539806 351502934 /nfs/dbraw/zinc/50/29/34/351502934.db2.gz QXBGTRVPMMLTQG-GXTWGEPZSA-N 2 1 281.400 0.450 10 0 CCAEMP Cc1cc(NC(=O)CC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)no1 ZINC000193634316 351837482 /nfs/dbraw/zinc/83/74/82/351837482.db2.gz RQXIRCUVUHVIDM-TXEJJXNPSA-N 2 1 278.356 0.805 10 0 CCAEMP Cc1cc(NC(=O)CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)no1 ZINC000193634316 351837484 /nfs/dbraw/zinc/83/74/84/351837484.db2.gz RQXIRCUVUHVIDM-TXEJJXNPSA-N 2 1 278.356 0.805 10 0 CCAEMP Cc1cc(NC(=O)CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)no1 ZINC000193634316 351837485 /nfs/dbraw/zinc/83/74/85/351837485.db2.gz RQXIRCUVUHVIDM-TXEJJXNPSA-N 2 1 278.356 0.805 10 0 CCAEMP Cc1cc(NC(=O)CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)no1 ZINC000193634316 351837488 /nfs/dbraw/zinc/83/74/88/351837488.db2.gz RQXIRCUVUHVIDM-TXEJJXNPSA-N 2 1 278.356 0.805 10 0 CCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000250533872 352505946 /nfs/dbraw/zinc/50/59/46/352505946.db2.gz YGKUKUVPARTEEE-AGIUHOORSA-N 2 1 253.390 0.960 10 0 CCAEMP [NH3+][C@@H]1COC[C@H]1Nc1cc[nH+]cc1Br ZINC000306498784 354175093 /nfs/dbraw/zinc/17/50/93/354175093.db2.gz GYWXDUKTJZJUSY-VXNVDRBHSA-N 2 1 258.119 0.982 10 0 CCAEMP CCc1nc(C)cc(NCC(=O)N2CCNCC2)n1 ZINC000311636205 354202455 /nfs/dbraw/zinc/20/24/55/354202455.db2.gz WNKTZVIMNQIFKX-UHFFFAOYSA-N 2 1 263.345 0.191 10 0 CCAEMP C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328645104 354245206 /nfs/dbraw/zinc/24/52/06/354245206.db2.gz RYOLNQGSRTZUQP-ZDUSSCGKSA-N 2 1 276.384 1.000 10 0 CCAEMP C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328645104 354245210 /nfs/dbraw/zinc/24/52/10/354245210.db2.gz RYOLNQGSRTZUQP-ZDUSSCGKSA-N 2 1 276.384 1.000 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000333612287 354763141 /nfs/dbraw/zinc/76/31/41/354763141.db2.gz GXCLQXFQWYGEFN-CQSZACIVSA-N 2 1 298.431 0.492 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000333612287 354763145 /nfs/dbraw/zinc/76/31/45/354763145.db2.gz GXCLQXFQWYGEFN-CQSZACIVSA-N 2 1 298.431 0.492 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000333612287 354763148 /nfs/dbraw/zinc/76/31/48/354763148.db2.gz GXCLQXFQWYGEFN-CQSZACIVSA-N 2 1 298.431 0.492 10 0 CCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000333936513 354817850 /nfs/dbraw/zinc/81/78/50/354817850.db2.gz KNAAOEONPMEBCU-STQMWFEESA-N 2 1 268.405 0.851 10 0 CCAEMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333784563 354793059 /nfs/dbraw/zinc/79/30/59/354793059.db2.gz FEIUREBVLVQIJS-CYBMUJFWSA-N 2 1 266.389 0.690 10 0 CCAEMP CO[C@](C)(C[NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000398969017 357780552 /nfs/dbraw/zinc/78/05/52/357780552.db2.gz UOHFEZZYVNQKHA-CQSZACIVSA-N 2 1 256.390 0.848 10 0 CCAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CCCCO1 ZINC000399010829 357780739 /nfs/dbraw/zinc/78/07/39/357780739.db2.gz ATNAHDMCOSRFFT-JSGCOSHPSA-N 2 1 256.390 0.990 10 0 CCAEMP CN(C)[C@@H](C[NH3+])c1ccc(N2CC[NH+](C)CC2)o1 ZINC000409441781 358114532 /nfs/dbraw/zinc/11/45/32/358114532.db2.gz QTGQXSRUGQADBS-NSHDSACASA-N 2 1 252.362 0.593 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000631842878 370707360 /nfs/dbraw/zinc/70/73/60/370707360.db2.gz HAYIGEHJEVAHKJ-QWHCGFSZSA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000631842878 370707366 /nfs/dbraw/zinc/70/73/66/370707366.db2.gz HAYIGEHJEVAHKJ-QWHCGFSZSA-N 2 1 253.390 0.772 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843242 370707792 /nfs/dbraw/zinc/70/77/92/370707792.db2.gz LEBOFSXCSAIZAX-RYUDHWBXSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843242 370707796 /nfs/dbraw/zinc/70/77/96/370707796.db2.gz LEBOFSXCSAIZAX-RYUDHWBXSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@@H]1C[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000631844605 370710134 /nfs/dbraw/zinc/71/01/34/370710134.db2.gz KAFSXNRSUCYCQR-NEPJUHHUSA-N 2 1 287.363 0.809 10 0 CCAEMP CO[C@H]1CN(CCCc2c[nH+]cn2C)[C@@](C)(C[NH3+])C1 ZINC000630369623 370070985 /nfs/dbraw/zinc/07/09/85/370070985.db2.gz WZPRJMDZYVEBRN-ZIAGYGMSSA-N 2 1 266.389 0.791 10 0 CCAEMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333448664 205328471 /nfs/dbraw/zinc/32/84/71/205328471.db2.gz XEPZLRFOMHCFCD-STQMWFEESA-N 2 1 284.404 0.148 10 0 CCAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000333493894 205373138 /nfs/dbraw/zinc/37/31/38/205373138.db2.gz CQCFZZGJGVXYDC-JSGCOSHPSA-N 2 1 280.416 0.934 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000246850202 285034809 /nfs/dbraw/zinc/03/48/09/285034809.db2.gz VROKIYUOFMPWLD-GJZGRUSLSA-N 2 1 269.433 0.859 10 0 CCAEMP CCC[C@@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+](C)C ZINC000184077861 388769137 /nfs/dbraw/zinc/76/91/37/388769137.db2.gz PRSBHUGDQQAHDD-GJZGRUSLSA-N 2 1 298.475 0.859 10 0 CCAEMP CCOCCN1CC[N@H+](CCN2CCO[C@H](C)C2)C[C@@H]1C ZINC000192734843 389049902 /nfs/dbraw/zinc/04/99/02/389049902.db2.gz FBBWMBDOYLUFBE-JKSUJKDBSA-N 2 1 299.459 0.750 10 0 CCAEMP CCOCCN1CC[N@@H+](CCN2CCO[C@H](C)C2)C[C@@H]1C ZINC000192734843 389049908 /nfs/dbraw/zinc/04/99/08/389049908.db2.gz FBBWMBDOYLUFBE-JKSUJKDBSA-N 2 1 299.459 0.750 10 0 CCAEMP CC[C@@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@@H+]1C[C@H](C)O ZINC000302022691 389061903 /nfs/dbraw/zinc/06/19/03/389061903.db2.gz IXBANLCEIVBZOT-NWDGAFQWSA-N 2 1 292.383 0.462 10 0 CCAEMP CC[C@@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@H+]1C[C@H](C)O ZINC000302022691 389061906 /nfs/dbraw/zinc/06/19/06/389061906.db2.gz IXBANLCEIVBZOT-NWDGAFQWSA-N 2 1 292.383 0.462 10 0 CCAEMP C[C@H]1C[N@H+](CCN2CC[NH+]3CCCC[C@H]3C2)CCO1 ZINC000249303277 389253893 /nfs/dbraw/zinc/25/38/93/389253893.db2.gz SPPFVBGOPXZSPD-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1C[N@@H+](CCN2CC[NH+]3CCCC[C@H]3C2)CCO1 ZINC000249303277 389253896 /nfs/dbraw/zinc/25/38/96/389253896.db2.gz SPPFVBGOPXZSPD-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1C[NH+](CCN2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000249303277 389253899 /nfs/dbraw/zinc/25/38/99/389253899.db2.gz SPPFVBGOPXZSPD-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1C[NH+](CCN2CC[N@H+]3CCCC[C@H]3C2)CCO1 ZINC000249303277 389253901 /nfs/dbraw/zinc/25/39/01/389253901.db2.gz SPPFVBGOPXZSPD-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(CCCn2ccnc2)C[C@H]1C ZINC000245842994 389219399 /nfs/dbraw/zinc/21/93/99/389219399.db2.gz CZALNTSNMBGUIA-KGLIPLIRSA-N 2 1 266.389 0.660 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(CCCn2ccnc2)C[C@H]1C ZINC000245842994 389219403 /nfs/dbraw/zinc/21/94/03/389219403.db2.gz CZALNTSNMBGUIA-KGLIPLIRSA-N 2 1 266.389 0.660 10 0 CCAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CN2CCCC2=O)CCN1C ZINC000177060225 389570548 /nfs/dbraw/zinc/57/05/48/389570548.db2.gz AGLWLZHKRIPPOP-MCIONIFRSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC000177060225 389570551 /nfs/dbraw/zinc/57/05/51/389570551.db2.gz AGLWLZHKRIPPOP-MCIONIFRSA-N 2 1 283.416 0.384 10 0 CCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC000177060225 389570555 /nfs/dbraw/zinc/57/05/55/389570555.db2.gz AGLWLZHKRIPPOP-MCIONIFRSA-N 2 1 283.416 0.384 10 0 CCAEMP CCOCCN1CC[N@@H+]([C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC000180613878 389672548 /nfs/dbraw/zinc/67/25/48/389672548.db2.gz GAXVFLICOFCNTG-HOTGVXAUSA-N 2 1 299.459 0.750 10 0 CCAEMP CCOCCN1CC[N@H+]([C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC000180613878 389672550 /nfs/dbraw/zinc/67/25/50/389672550.db2.gz GAXVFLICOFCNTG-HOTGVXAUSA-N 2 1 299.459 0.750 10 0 CCAEMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399092383 389788499 /nfs/dbraw/zinc/78/84/99/389788499.db2.gz XBWUSQKRAHFUHC-YJNKXOJESA-N 2 1 286.416 0.018 10 0 CCAEMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399092383 389788502 /nfs/dbraw/zinc/78/85/02/389788502.db2.gz XBWUSQKRAHFUHC-YJNKXOJESA-N 2 1 286.416 0.018 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399092383 389788503 /nfs/dbraw/zinc/78/85/03/389788503.db2.gz XBWUSQKRAHFUHC-YJNKXOJESA-N 2 1 286.416 0.018 10 0 CCAEMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399092383 389788505 /nfs/dbraw/zinc/78/85/05/389788505.db2.gz XBWUSQKRAHFUHC-YJNKXOJESA-N 2 1 286.416 0.018 10 0 CCAEMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399092383 389788508 /nfs/dbraw/zinc/78/85/08/389788508.db2.gz XBWUSQKRAHFUHC-YJNKXOJESA-N 2 1 286.416 0.018 10 0 CCAEMP C[N@H+](CCCCS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000647912794 390216636 /nfs/dbraw/zinc/21/66/36/390216636.db2.gz BQEYKPRFFSYBTM-LBPRGKRZSA-N 2 1 262.419 0.885 10 0 CCAEMP C[N@@H+](CCCCS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000647912794 390216640 /nfs/dbraw/zinc/21/66/40/390216640.db2.gz BQEYKPRFFSYBTM-LBPRGKRZSA-N 2 1 262.419 0.885 10 0 CCAEMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000645781484 390493536 /nfs/dbraw/zinc/49/35/36/390493536.db2.gz PZDPSPPZCUPQJA-RYUDHWBXSA-N 2 1 251.374 0.681 10 0 CCAEMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000645781484 390493541 /nfs/dbraw/zinc/49/35/41/390493541.db2.gz PZDPSPPZCUPQJA-RYUDHWBXSA-N 2 1 251.374 0.681 10 0 CCAEMP COC[C@]1(C(=O)NCC[N@@H+](C)C2CCCC2)CCC[NH2+]1 ZINC000649323302 390581582 /nfs/dbraw/zinc/58/15/82/390581582.db2.gz UQENIQIOOYOHEX-HNNXBMFYSA-N 2 1 283.416 0.746 10 0 CCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649298943 390558766 /nfs/dbraw/zinc/55/87/66/390558766.db2.gz NHDRYOBUEGWFST-CHWSQXEVSA-N 2 1 269.389 0.023 10 0 CCAEMP COC[C@@]1(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000649299062 390558786 /nfs/dbraw/zinc/55/87/86/390558786.db2.gz WTVRGBVAFFVIJB-DZGCQCFKSA-N 2 1 283.416 0.555 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000111268033 411701442 /nfs/dbraw/zinc/70/14/42/411701442.db2.gz CSAPQLQGHVTLLD-HZSPNIEDSA-N 2 1 281.400 0.165 10 0 CCAEMP CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000300409066 411743390 /nfs/dbraw/zinc/74/33/90/411743390.db2.gz ITDDRSFSWBKBLJ-AAEUAGOBSA-N 2 1 253.390 0.962 10 0 CCAEMP Cc1ccccc1[C@H](C[NH3+])N1CC[NH+](CCO)CC1 ZINC000020225429 171088579 /nfs/dbraw/zinc/08/85/79/171088579.db2.gz PIZJEHDOYRJLLY-HNNXBMFYSA-N 2 1 263.385 0.605 10 0 CCAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC000020303230 171140225 /nfs/dbraw/zinc/14/02/25/171140225.db2.gz IWDFCYANQXEQPC-JTQLQIEISA-N 2 1 258.366 0.152 10 0 CCAEMP C[NH+]1CCN(CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022153812 171360864 /nfs/dbraw/zinc/36/08/64/171360864.db2.gz ARDQVYIAWBKNLZ-UHFFFAOYSA-N 2 1 262.357 0.331 10 0 CCAEMP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851594 414842496 /nfs/dbraw/zinc/84/24/96/414842496.db2.gz BXJZGQGIVNXCIX-IUODEOHRSA-N 2 1 283.416 0.744 10 0 CCAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)CC1(CO)CCOCC1 ZINC000071191627 176069795 /nfs/dbraw/zinc/06/97/95/176069795.db2.gz LRUGBYNWZDGXGL-CYBMUJFWSA-N 2 1 256.390 0.659 10 0 CCAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC1(CO)CCOCC1 ZINC000071191627 176069796 /nfs/dbraw/zinc/06/97/96/176069796.db2.gz LRUGBYNWZDGXGL-CYBMUJFWSA-N 2 1 256.390 0.659 10 0 CCAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC1(CO)CCOCC1 ZINC000071191627 176069798 /nfs/dbraw/zinc/06/97/98/176069798.db2.gz LRUGBYNWZDGXGL-CYBMUJFWSA-N 2 1 256.390 0.659 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250645450 544923865 /nfs/dbraw/zinc/92/38/65/544923865.db2.gz JQJGWLRIWRXTBM-RWMBFGLXSA-N 2 1 251.374 0.668 10 0 CCAEMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000261776150 276154328 /nfs/dbraw/zinc/15/43/28/276154328.db2.gz PBHBFPRGPBXISN-SNVBAGLBSA-N 2 1 282.388 0.376 10 0 CCAEMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000261776150 276154330 /nfs/dbraw/zinc/15/43/30/276154330.db2.gz PBHBFPRGPBXISN-SNVBAGLBSA-N 2 1 282.388 0.376 10 0 CCAEMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000335839727 277056350 /nfs/dbraw/zinc/05/63/50/277056350.db2.gz XRDUFFAFKXTVAW-CHWSQXEVSA-N 2 1 251.374 0.777 10 0 CCAEMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000335839727 277056351 /nfs/dbraw/zinc/05/63/51/277056351.db2.gz XRDUFFAFKXTVAW-CHWSQXEVSA-N 2 1 251.374 0.777 10 0 CCAEMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000335839727 277056352 /nfs/dbraw/zinc/05/63/52/277056352.db2.gz XRDUFFAFKXTVAW-CHWSQXEVSA-N 2 1 251.374 0.777 10 0 CCAEMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000335839727 277056353 /nfs/dbraw/zinc/05/63/53/277056353.db2.gz XRDUFFAFKXTVAW-CHWSQXEVSA-N 2 1 251.374 0.777 10 0 CCAEMP CCN(C)C(=O)CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000178199351 279014457 /nfs/dbraw/zinc/01/44/57/279014457.db2.gz MJOJTXJQTLDWEJ-CQSZACIVSA-N 2 1 299.459 0.879 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000388659912 545086561 /nfs/dbraw/zinc/08/65/61/545086561.db2.gz BDUJMFQRNVNPNZ-HUUCEWRRSA-N 2 1 269.433 0.858 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000388659912 545086562 /nfs/dbraw/zinc/08/65/62/545086562.db2.gz BDUJMFQRNVNPNZ-HUUCEWRRSA-N 2 1 269.433 0.858 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000388659912 545086563 /nfs/dbraw/zinc/08/65/63/545086563.db2.gz BDUJMFQRNVNPNZ-HUUCEWRRSA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)[C@@H](C)O1 ZINC000385150196 336141152 /nfs/dbraw/zinc/14/11/52/336141152.db2.gz MZHOVOAYBUCQQH-SYQHCUMBSA-N 2 1 256.390 0.989 10 0 CCAEMP CC[NH2+]CCS(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000055083989 519926462 /nfs/dbraw/zinc/92/64/62/519926462.db2.gz VUWAKUVYOCLSIM-UHFFFAOYSA-N 2 1 277.434 0.199 10 0 CCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000182823421 520718101 /nfs/dbraw/zinc/71/81/01/520718101.db2.gz HUAAZKVNSGXOHZ-NWDGAFQWSA-N 2 1 257.378 0.029 10 0 CCAEMP CN(C)C[C@@H]1CCC[N@@H+]1CCN1CCC[NH2+]CC1 ZINC000061652373 521838118 /nfs/dbraw/zinc/83/81/18/521838118.db2.gz WPZKPJSEWKVZSA-AWEZNQCLSA-N 2 1 254.422 0.308 10 0 CCAEMP CN(C)C[C@@H]1CCC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061652373 521838131 /nfs/dbraw/zinc/83/81/31/521838131.db2.gz WPZKPJSEWKVZSA-AWEZNQCLSA-N 2 1 254.422 0.308 10 0 CCAEMP [NH3+]Cc1cn(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000052573148 527262704 /nfs/dbraw/zinc/26/27/04/527262704.db2.gz UZWNSMGCTGWWSW-STQMWFEESA-N 2 1 265.361 0.380 10 0 CCAEMP [NH3+]Cc1cn(CC[N@H+]2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000052573148 527262708 /nfs/dbraw/zinc/26/27/08/527262708.db2.gz UZWNSMGCTGWWSW-STQMWFEESA-N 2 1 265.361 0.380 10 0 CCAEMP OCC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667842946 545157552 /nfs/dbraw/zinc/15/75/52/545157552.db2.gz UKCGFZRTQUGDMZ-UONOGXRCSA-N 2 1 254.374 0.600 10 0 CCAEMP CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261574241 535094653 /nfs/dbraw/zinc/09/46/53/535094653.db2.gz MPSPHZAQMVSOLQ-AVGNSLFASA-N 2 1 274.430 0.869 10 0 CCAEMP CC(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261574241 535094657 /nfs/dbraw/zinc/09/46/57/535094657.db2.gz MPSPHZAQMVSOLQ-AVGNSLFASA-N 2 1 274.430 0.869 10 0 CCAEMP CCN1CC[NH+](CCC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261906176 535679118 /nfs/dbraw/zinc/67/91/18/535679118.db2.gz WXKUCBNJOLLFFT-LSDHHAIUSA-N 2 1 296.459 0.600 10 0 CCAEMP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263259615 536576749 /nfs/dbraw/zinc/57/67/49/536576749.db2.gz QTWOSDRKLVJIET-CHWSQXEVSA-N 2 1 280.368 0.682 10 0 CCAEMP COC(=O)[C@@H]1CCCCN1c1noc([C@H]([NH3+])CCC[NH3+])n1 ZINC000757121390 581694989 /nfs/dbraw/zinc/69/49/89/581694989.db2.gz NBJCIPIOPRDSDU-ZJUUUORDSA-N 2 1 297.359 0.340 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900378408 614214289 /nfs/dbraw/zinc/21/42/89/614214289.db2.gz QUGJBPGQRAYGAF-NFAWXSAZSA-N 2 1 285.432 0.534 10 0 CCAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000091544362 622858806 /nfs/dbraw/zinc/85/88/06/622858806.db2.gz IVNTWNNEVDANAM-MJBXVCDLSA-N 2 1 253.390 0.520 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178848320 631577952 /nfs/dbraw/zinc/57/79/52/631577952.db2.gz UXLBYFAAMCDAIC-GXTWGEPZSA-N 2 1 280.347 0.884 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCCCCC[NH3+])C[C@@H]1C ZINC000246489809 649677515 /nfs/dbraw/zinc/67/75/15/649677515.db2.gz PERLGQYCWNBHCB-KBPBESRZSA-N 2 1 285.432 0.809 10 0 CCAEMP CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250199846 649756878 /nfs/dbraw/zinc/75/68/78/649756878.db2.gz BHPRYTMDUIQSFK-RYUDHWBXSA-N 2 1 275.418 0.142 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1scnc1C1CC1 ZINC000263177673 137059715 /nfs/dbraw/zinc/05/97/15/137059715.db2.gz GIMLXTTXBONUCL-NXEZZACHSA-N 2 1 253.371 0.690 10 0 CCAEMP Cc1ncc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)n1-c1ccccc1 ZINC000263154590 137059288 /nfs/dbraw/zinc/05/92/88/137059288.db2.gz DHDBIQHOTHKGPN-BBRMVZONSA-N 2 1 286.379 0.851 10 0 CCAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263255805 137061666 /nfs/dbraw/zinc/06/16/66/137061666.db2.gz FNNOZCQTQNKPPM-LLVKDONJSA-N 2 1 253.390 0.833 10 0 CCAEMP COc1ccc(C)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263286192 137062887 /nfs/dbraw/zinc/06/28/87/137062887.db2.gz VAYYRRRCOYAVHM-CHWSQXEVSA-N 2 1 250.342 0.674 10 0 CCAEMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263187923 137059959 /nfs/dbraw/zinc/05/99/59/137059959.db2.gz HOPWGRAEQOGVHD-DGCLKSJQSA-N 2 1 252.362 0.442 10 0 CCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1O ZINC000263242339 137061316 /nfs/dbraw/zinc/06/13/16/137061316.db2.gz OTNQWWDWSZBTHA-PWSUYJOCSA-N 2 1 252.314 0.071 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(CC)CC[NH2+]C2)C1 ZINC000062898888 348672058 /nfs/dbraw/zinc/67/20/58/348672058.db2.gz JMYSRIUPPUGGLZ-OCCSQVGLSA-N 2 1 253.390 0.977 10 0 CCAEMP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000088371556 349364275 /nfs/dbraw/zinc/36/42/75/349364275.db2.gz ZMXXNZYHKQCBBG-IPYPFGDCSA-N 2 1 283.416 0.602 10 0 CCAEMP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105147315 186043179 /nfs/dbraw/zinc/04/31/79/186043179.db2.gz QIQJXSOBBYHHSS-UHFFFAOYSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105147315 186043181 /nfs/dbraw/zinc/04/31/81/186043181.db2.gz QIQJXSOBBYHHSS-UHFFFAOYSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105233554 186046685 /nfs/dbraw/zinc/04/66/85/186046685.db2.gz PNIWXZARKADXAD-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105233554 186046686 /nfs/dbraw/zinc/04/66/86/186046686.db2.gz PNIWXZARKADXAD-CQSZACIVSA-N 2 1 298.431 0.444 10 0 CCAEMP Cn1cc[nH+]c1CC1CC[NH+](CCOCCO)CC1 ZINC000132973535 350321336 /nfs/dbraw/zinc/32/13/36/350321336.db2.gz SVTAJTJFSWFXSQ-UHFFFAOYSA-N 2 1 267.373 0.684 10 0 CCAEMP CCC[C@@H](C(=O)NCCC[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000161567098 350724887 /nfs/dbraw/zinc/72/48/87/350724887.db2.gz RJPALRNVCMCYPT-HNNXBMFYSA-N 2 1 298.475 0.861 10 0 CCAEMP CCC[C@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000162127640 350736674 /nfs/dbraw/zinc/73/66/74/350736674.db2.gz NGBOPJWMLRRZNI-LSDHHAIUSA-N 2 1 298.475 0.716 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@H]1C ZINC000168026051 350818655 /nfs/dbraw/zinc/81/86/55/350818655.db2.gz KUPKFDIFENGMDP-CYBMUJFWSA-N 2 1 283.416 0.555 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@H]1C ZINC000168026051 350818659 /nfs/dbraw/zinc/81/86/59/350818659.db2.gz KUPKFDIFENGMDP-CYBMUJFWSA-N 2 1 283.416 0.555 10 0 CCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000180829358 351292670 /nfs/dbraw/zinc/29/26/70/351292670.db2.gz LOWIVGIDFPKIHY-HUUCEWRRSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CC[NH+](C)CC1 ZINC000180829358 351292674 /nfs/dbraw/zinc/29/26/74/351292674.db2.gz LOWIVGIDFPKIHY-HUUCEWRRSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CC[NH+](C)CC1 ZINC000180829358 351292677 /nfs/dbraw/zinc/29/26/77/351292677.db2.gz LOWIVGIDFPKIHY-HUUCEWRRSA-N 2 1 294.443 0.319 10 0 CCAEMP COCC[N@H+]1CCN(CCn2ccnc2)C[C@H]1C ZINC000122657491 187044614 /nfs/dbraw/zinc/04/46/14/187044614.db2.gz ZEBOQSSFGQVZRQ-CYBMUJFWSA-N 2 1 252.362 0.536 10 0 CCAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000225554377 352008890 /nfs/dbraw/zinc/00/88/90/352008890.db2.gz UEVJCQZIQYWETD-ZIAGYGMSSA-N 2 1 283.416 0.288 10 0 CCAEMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236789862 352215034 /nfs/dbraw/zinc/21/50/34/352215034.db2.gz 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357782120 /nfs/dbraw/zinc/78/21/20/357782120.db2.gz KHFIENKUMSAVKB-UHFFFAOYSA-N 2 1 285.432 0.144 10 0 CCAEMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000336221789 213048816 /nfs/dbraw/zinc/04/88/16/213048816.db2.gz HFOHYQFBRNHPSV-JSGCOSHPSA-N 2 1 271.380 0.926 10 0 CCAEMP OC[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000409434393 358113264 /nfs/dbraw/zinc/11/32/64/358113264.db2.gz OZTTUUVLBSBZFT-PSASIEDQSA-N 2 1 252.280 0.841 10 0 CCAEMP OC[C@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000409434393 358113266 /nfs/dbraw/zinc/11/32/66/358113266.db2.gz OZTTUUVLBSBZFT-PSASIEDQSA-N 2 1 252.280 0.841 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634763106 372211089 /nfs/dbraw/zinc/21/10/89/372211089.db2.gz NYGVHQNJTCCMEU-JSGCOSHPSA-N 2 1 251.374 0.540 10 0 CCAEMP C[N@@H+](CCNC(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000333405020 205291948 /nfs/dbraw/zinc/29/19/48/205291948.db2.gz QMFJNRONZPJUOS-LLVKDONJSA-N 2 1 254.378 0.522 10 0 CCAEMP 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/nfs/dbraw/zinc/07/45/64/389074564.db2.gz PZYVIDQHBKLXMX-FRRDWIJNSA-N 2 1 264.369 0.966 10 0 CCAEMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606571 389074566 /nfs/dbraw/zinc/07/45/66/389074566.db2.gz PZYVIDQHBKLXMX-FRRDWIJNSA-N 2 1 264.369 0.966 10 0 CCAEMP CC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247817524 389243454 /nfs/dbraw/zinc/24/34/54/389243454.db2.gz WOLKHJGOWSGCSY-JSGCOSHPSA-N 2 1 258.406 0.782 10 0 CCAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000252560722 389265314 /nfs/dbraw/zinc/26/53/14/389265314.db2.gz VVZASTAGEPUBLE-LOWDOPEQSA-N 2 1 267.373 0.093 10 0 CCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000333136407 389405862 /nfs/dbraw/zinc/40/58/62/389405862.db2.gz CLLPLFXWGYMSCL-QWHCGFSZSA-N 2 1 268.405 0.768 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000333897363 389448410 /nfs/dbraw/zinc/44/84/10/389448410.db2.gz AZSFOBNXGIVBMB-SDDRHHMPSA-N 2 1 254.378 0.520 10 0 CCAEMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1[NH3+] ZINC000333941710 389450801 /nfs/dbraw/zinc/45/08/01/389450801.db2.gz PFVMZBPUYLCKBS-YVECIDJPSA-N 2 1 266.389 0.602 10 0 CCAEMP COCC[N@@H+](C)CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180990137 389679767 /nfs/dbraw/zinc/67/97/67/389679767.db2.gz WUYNXZYGCMCDNL-CQSZACIVSA-N 2 1 271.405 0.603 10 0 CCAEMP C[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000649323363 390580909 /nfs/dbraw/zinc/58/09/09/390580909.db2.gz YDHSBXCUCXNQID-LBPRGKRZSA-N 2 1 269.389 0.213 10 0 CCAEMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000649333337 390590171 /nfs/dbraw/zinc/59/01/71/390590171.db2.gz NCXDJFBZWUAYCB-OBJOEFQTSA-N 2 1 269.389 0.354 10 0 CCAEMP C[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000371559703 144336651 /nfs/dbraw/zinc/33/66/51/144336651.db2.gz KKNVXKZIDHJHAK-SCUASFONSA-N 2 1 259.353 0.580 10 0 CCAEMP CC(C)n1ccnc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000649419107 397610035 /nfs/dbraw/zinc/61/00/35/397610035.db2.gz FTJFFGOIAHTXCH-CQSZACIVSA-N 2 1 277.416 0.944 10 0 CCAEMP CC(C)n1ccnc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000649419107 397610038 /nfs/dbraw/zinc/61/00/38/397610038.db2.gz FTJFFGOIAHTXCH-CQSZACIVSA-N 2 1 277.416 0.944 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129716515 411720561 /nfs/dbraw/zinc/72/05/61/411720561.db2.gz LVDGCRJXGDMHHX-CYBMUJFWSA-N 2 1 282.432 0.128 10 0 CCAEMP C[C@H](C(=O)Nc1ccccc1C[NH3+])N1CC[NH+](C)CC1 ZINC000022156275 171362560 /nfs/dbraw/zinc/36/25/60/171362560.db2.gz BNKAWUBDZCPNBV-GFCCVEGCSA-N 2 1 276.384 0.720 10 0 CCAEMP C[C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)[NH2+]1 ZINC000037393636 173174545 /nfs/dbraw/zinc/17/45/45/173174545.db2.gz PDUPJWSKVPJGBL-OLZOCXBDSA-N 2 1 269.389 0.356 10 0 CCAEMP C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000251074438 544925638 /nfs/dbraw/zinc/92/56/38/544925638.db2.gz GFRNTWSOJYLPCH-HUUCEWRRSA-N 2 1 267.417 0.783 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC[N@H+]1C ZINC000252087106 544928963 /nfs/dbraw/zinc/92/89/63/544928963.db2.gz GQJWKDCJRLGSNV-XQHKEYJVSA-N 2 1 253.390 0.960 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000252923692 544931190 /nfs/dbraw/zinc/93/11/90/544931190.db2.gz KEZFVPLMOIJJCS-OLZOCXBDSA-N 2 1 281.400 0.450 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000262098263 544939184 /nfs/dbraw/zinc/93/91/84/544939184.db2.gz IIBSIYGIGXBFNQ-FZMZJTMJSA-N 2 1 290.342 0.886 10 0 CCAEMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262093643 544939827 /nfs/dbraw/zinc/93/98/27/544939827.db2.gz HIMGVKNCCNMMAM-AAEUAGOBSA-N 2 1 260.341 0.313 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000262117645 544940217 /nfs/dbraw/zinc/94/02/17/544940217.db2.gz LLNVHELHCQLQFG-ZYHUDNBSSA-N 2 1 272.295 0.958 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000262153493 544942112 /nfs/dbraw/zinc/94/21/12/544942112.db2.gz RPCJABJRNZEKNC-MNOVXSKESA-N 2 1 272.295 0.958 10 0 CCAEMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)cnc21 ZINC000262146935 544942469 /nfs/dbraw/zinc/94/24/69/544942469.db2.gz QNDXARXZXPOPLA-KGLIPLIRSA-N 2 1 289.383 0.682 10 0 CCAEMP c1cc(NC[C@@H]2CC[NH2+]C2)nc(N2CCCCC2)[nH+]1 ZINC000333603208 545040626 /nfs/dbraw/zinc/04/06/26/545040626.db2.gz WUHXSHOYMMHGSM-GFCCVEGCSA-N 2 1 261.373 0.910 10 0 CCAEMP C1Cc2[nH+]c(N3CCCC3)nc(N3CC[NH2+]CC3)c2C1 ZINC000057328776 273483031 /nfs/dbraw/zinc/48/30/31/273483031.db2.gz QXTAYZSHDCDFNA-UHFFFAOYSA-N 2 1 273.384 0.975 10 0 CCAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262299297 276075974 /nfs/dbraw/zinc/07/59/74/276075974.db2.gz ADIFQMBHPBBBGI-GJZGRUSLSA-N 2 1 291.395 0.477 10 0 CCAEMP CC[N@@H+](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000248629726 279052302 /nfs/dbraw/zinc/05/23/02/279052302.db2.gz OTVXNPAAFISBOX-CYZMBNFOSA-N 2 1 251.374 0.666 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C[C@@H]2CCC[NH2+]2)cn1 ZINC000181410756 279347510 /nfs/dbraw/zinc/34/75/10/279347510.db2.gz NHWAPJMKDWFPAB-STQMWFEESA-N 2 1 277.372 0.035 10 0 CCAEMP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1C[NH3+] ZINC000333305987 288483793 /nfs/dbraw/zinc/48/37/93/288483793.db2.gz QWJACNIGJZXGTF-VEGXAWMVSA-N 2 1 269.389 0.195 10 0 CCAEMP [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000085368469 295338772 /nfs/dbraw/zinc/33/87/72/295338772.db2.gz LWGCLSNRRKDQFX-UPJWGTAASA-N 2 1 251.374 0.811 10 0 CCAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)CC(=O)N(CC)CC ZINC000062741079 520306573 /nfs/dbraw/zinc/30/65/73/520306573.db2.gz RNIMCTAVQWOQFD-GFCCVEGCSA-N 2 1 259.394 0.541 10 0 CCAEMP C[NH+](C)CCN1CC[NH+](C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000061653809 521765080 /nfs/dbraw/zinc/76/50/80/521765080.db2.gz ZXGRIUPEWJVBLH-CABCVRRESA-N 3 1 268.449 0.683 10 0 CCAEMP CC(C)C[NH2+]C[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000053012448 519746122 /nfs/dbraw/zinc/74/61/22/519746122.db2.gz MXGJVIPEIRWTRA-OAHLLOKOSA-N 2 1 269.433 0.886 10 0 CCAEMP C[NH2+]C(C)(C)C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000061317737 521933765 /nfs/dbraw/zinc/93/37/65/521933765.db2.gz IQMNBTKYZJCVQY-UHFFFAOYSA-N 2 1 257.378 0.165 10 0 CCAEMP C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C[C@@H]1[NH3+] ZINC000055130372 524635184 /nfs/dbraw/zinc/63/51/84/524635184.db2.gz ARKZBTSNEZUQOS-VOAKCMCISA-N 2 1 253.390 0.818 10 0 CCAEMP C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205388 524838643 /nfs/dbraw/zinc/83/86/43/524838643.db2.gz PDNRIVPUBGCGLB-YUTCNCBUSA-N 2 1 265.405 0.834 10 0 CCAEMP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263309643 535459031 /nfs/dbraw/zinc/45/90/31/535459031.db2.gz YJOHGHMHGSFRNJ-TZMCWYRMSA-N 2 1 250.342 0.755 10 0 CCAEMP Cc1cc2c(NCC[NH+]3CCC([NH3+])CC3)nccn2n1 ZINC000322077307 633136666 /nfs/dbraw/zinc/13/66/66/633136666.db2.gz FYDOQKSBOUMVKJ-UHFFFAOYSA-N 2 1 274.372 0.873 10 0 CCAEMP CC[N@@H+]1CCO[C@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000166031719 636916174 /nfs/dbraw/zinc/91/61/74/636916174.db2.gz MGHIPRZJIXJAQY-GFCCVEGCSA-N 2 1 271.405 0.602 10 0 CCAEMP CC[N@H+]1CCO[C@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000166031719 636916179 /nfs/dbraw/zinc/91/61/79/636916179.db2.gz MGHIPRZJIXJAQY-GFCCVEGCSA-N 2 1 271.405 0.602 10 0 CCAEMP CCCCOC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000227910436 637039308 /nfs/dbraw/zinc/03/93/08/637039308.db2.gz UXKORZVGAWOZMU-CQSZACIVSA-N 2 1 273.421 0.001 10 0 CCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543911 637062600 /nfs/dbraw/zinc/06/26/00/637062600.db2.gz NXZHFCSOJWHDCP-REWJHTLYSA-N 2 1 256.390 0.832 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000094459724 349568141 /nfs/dbraw/zinc/56/81/41/349568141.db2.gz OWVCZPJWSLVTMW-QWHCGFSZSA-N 2 1 281.400 0.450 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000601326120 362222498 /nfs/dbraw/zinc/22/24/98/362222498.db2.gz KDYAWGFAIBCDHR-QWRGUYRKSA-N 2 1 282.388 0.281 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000601326120 362222505 /nfs/dbraw/zinc/22/25/05/362222505.db2.gz KDYAWGFAIBCDHR-QWRGUYRKSA-N 2 1 282.388 0.281 10 0 CCAEMP CCC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000162234028 290738755 /nfs/dbraw/zinc/73/87/55/290738755.db2.gz XBRVHOFCWWIHMY-ZIAGYGMSSA-N 2 1 285.432 0.801 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000262383004 137041060 /nfs/dbraw/zinc/04/10/60/137041060.db2.gz YBOZIDWKZXPMRH-CYBMUJFWSA-N 2 1 292.383 0.449 10 0 CCAEMP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262462789 137044225 /nfs/dbraw/zinc/04/42/25/137044225.db2.gz XJWCACMDFBTWHB-AAEUAGOBSA-N 2 1 253.390 0.962 10 0 CCAEMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263110402 137058360 /nfs/dbraw/zinc/05/83/60/137058360.db2.gz AGDZPGZEKJSMRQ-GXTWGEPZSA-N 2 1 280.416 0.925 10 0 CCAEMP C[C@@H]([NH3+])CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000261798866 137020813 /nfs/dbraw/zinc/02/08/13/137020813.db2.gz KVBVDQBDMSBXRJ-UKRRQHHQSA-N 2 1 291.395 0.602 10 0 CCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263283159 137062724 /nfs/dbraw/zinc/06/27/24/137062724.db2.gz UOJBZBFJTPDHDP-SIXLDLHFSA-N 2 1 289.423 0.992 10 0 CCAEMP CO[C@H]1C[C@@H](C(=O)NCC2=CC[NH+](C)CC2)[N@@H+](C)C1 ZINC000346193326 137272396 /nfs/dbraw/zinc/27/23/96/137272396.db2.gz PVMRAOYSAYSQBL-STQMWFEESA-N 2 1 267.373 0.084 10 0 CCAEMP CO[C@H]1C[C@@H](C(=O)NCC2=CC[N@H+](C)CC2)[NH+](C)C1 ZINC000346193326 137272397 /nfs/dbraw/zinc/27/23/97/137272397.db2.gz PVMRAOYSAYSQBL-STQMWFEESA-N 2 1 267.373 0.084 10 0 CCAEMP CO[C@H]1C[C@@H](C(=O)NCC2=CC[N@@H+](C)CC2)[NH+](C)C1 ZINC000346193326 137272398 /nfs/dbraw/zinc/27/23/98/137272398.db2.gz PVMRAOYSAYSQBL-STQMWFEESA-N 2 1 267.373 0.084 10 0 CCAEMP COC(C[N@@H+](C)C1CCN(CCn2cccn2)CC1)OC ZINC000189010533 351645707 /nfs/dbraw/zinc/64/57/07/351645707.db2.gz WMQKKXJNIRDCNB-UHFFFAOYSA-N 2 1 296.415 0.898 10 0 CCAEMP COC(CN(C)C1CC[NH+](CCn2cccn2)CC1)OC ZINC000189010533 351645710 /nfs/dbraw/zinc/64/57/10/351645710.db2.gz WMQKKXJNIRDCNB-UHFFFAOYSA-N 2 1 296.415 0.898 10 0 CCAEMP COC(C[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1)OC ZINC000189122705 351653154 /nfs/dbraw/zinc/65/31/54/351653154.db2.gz CBNWWKSENBWTIJ-CQSZACIVSA-N 2 1 285.432 0.707 10 0 CCAEMP COC(C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)OC ZINC000189122705 351653155 /nfs/dbraw/zinc/65/31/55/351653155.db2.gz CBNWWKSENBWTIJ-CQSZACIVSA-N 2 1 285.432 0.707 10 0 CCAEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)NC3CCCC3)C[C@@H]2C1 ZINC000193643387 351838615 /nfs/dbraw/zinc/83/86/15/351838615.db2.gz ZGPGDBMGBXQULR-BETUJISGSA-N 2 1 265.401 0.929 10 0 CCAEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)NC3CCCC3)C[C@@H]2C1 ZINC000193643387 351838619 /nfs/dbraw/zinc/83/86/19/351838619.db2.gz ZGPGDBMGBXQULR-BETUJISGSA-N 2 1 265.401 0.929 10 0 CCAEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)NC3CCCC3)C[C@@H]2C1 ZINC000193643387 351838622 /nfs/dbraw/zinc/83/86/22/351838622.db2.gz ZGPGDBMGBXQULR-BETUJISGSA-N 2 1 265.401 0.929 10 0 CCAEMP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000234807002 352172221 /nfs/dbraw/zinc/17/22/21/352172221.db2.gz GGPKRIZGZRTQRO-BFHYXJOUSA-N 2 1 274.405 0.282 10 0 CCAEMP COC[C@H](C)OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000234807002 352172224 /nfs/dbraw/zinc/17/22/24/352172224.db2.gz GGPKRIZGZRTQRO-BFHYXJOUSA-N 2 1 274.405 0.282 10 0 CCAEMP COC[C@H](C)OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000234807002 352172227 /nfs/dbraw/zinc/17/22/27/352172227.db2.gz GGPKRIZGZRTQRO-BFHYXJOUSA-N 2 1 274.405 0.282 10 0 CCAEMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246186771 352352831 /nfs/dbraw/zinc/35/28/31/352352831.db2.gz CRRCSGYOGNPDQZ-CHWSQXEVSA-N 2 1 269.389 0.165 10 0 CCAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246186771 352352835 /nfs/dbraw/zinc/35/28/35/352352835.db2.gz CRRCSGYOGNPDQZ-CHWSQXEVSA-N 2 1 269.389 0.165 10 0 CCAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC000245969511 352343916 /nfs/dbraw/zinc/34/39/16/352343916.db2.gz VJLRMVAFWFCHSQ-MWLCHTKSSA-N 2 1 279.344 0.239 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC000245969511 352343919 /nfs/dbraw/zinc/34/39/19/352343919.db2.gz VJLRMVAFWFCHSQ-MWLCHTKSSA-N 2 1 279.344 0.239 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000249392140 352489852 /nfs/dbraw/zinc/48/98/52/352489852.db2.gz GEQOSDHXRMKWCD-WUHRBBMRSA-N 2 1 269.389 0.208 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250211148 352503452 /nfs/dbraw/zinc/50/34/52/352503452.db2.gz CPRXTYZRPPWGKS-CHWSQXEVSA-N 2 1 253.390 0.977 10 0 CCAEMP [NH3+][C@H]1COC[C@@H]1Nc1cc[nH+]cc1Br ZINC000306498782 354175138 /nfs/dbraw/zinc/17/51/38/354175138.db2.gz GYWXDUKTJZJUSY-CBAPKCEASA-N 2 1 258.119 0.982 10 0 CCAEMP Cc1cc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000631840366 370705750 /nfs/dbraw/zinc/70/57/50/370705750.db2.gz SECWSCVGWCGPNI-GXSJLCMTSA-N 2 1 266.345 0.260 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2F)C[C@H]1C[NH3+] ZINC000631842813 370708266 /nfs/dbraw/zinc/70/82/66/370708266.db2.gz GEOGVRVDWAPLIF-WCQYABFASA-N 2 1 279.359 0.969 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2F)C[C@H]1C[NH3+] ZINC000631842813 370708270 /nfs/dbraw/zinc/70/82/70/370708270.db2.gz GEOGVRVDWAPLIF-WCQYABFASA-N 2 1 279.359 0.969 10 0 CCAEMP Cc1[nH+]cc(CNC[C@H](O)C[NH+]2CCCCC2)n1C ZINC000657325585 412961737 /nfs/dbraw/zinc/96/17/37/412961737.db2.gz KDQHNIOVLVWRJB-AWEZNQCLSA-N 2 1 266.389 0.665 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH+](CC)C2CC2)CC[N@H+]1C[C@H](C)O ZINC000246294060 285013738 /nfs/dbraw/zinc/01/37/38/285013738.db2.gz PAGIHLHUWHFRPW-UONOGXRCSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[N@H+](CC)C2CC2)CC[NH+]1C[C@H](C)O ZINC000246294060 285013740 /nfs/dbraw/zinc/01/37/40/285013740.db2.gz PAGIHLHUWHFRPW-UONOGXRCSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[N@@H+](CC)C2CC2)CC[NH+]1C[C@H](C)O ZINC000246294060 285013744 /nfs/dbraw/zinc/01/37/44/285013744.db2.gz PAGIHLHUWHFRPW-UONOGXRCSA-N 2 1 297.443 0.774 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C)CC2)C1 ZINC000334368723 285230557 /nfs/dbraw/zinc/23/05/57/285230557.db2.gz MHESNRUQZAZUPM-CYBMUJFWSA-N 2 1 268.405 0.818 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000334368723 285230560 /nfs/dbraw/zinc/23/05/60/285230560.db2.gz MHESNRUQZAZUPM-CYBMUJFWSA-N 2 1 268.405 0.818 10 0 CCAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000334368723 285230566 /nfs/dbraw/zinc/23/05/66/285230566.db2.gz MHESNRUQZAZUPM-CYBMUJFWSA-N 2 1 268.405 0.818 10 0 CCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306786833 389091028 /nfs/dbraw/zinc/09/10/28/389091028.db2.gz PRKPRRMWPWAVMK-USXIJHARSA-N 2 1 289.423 0.916 10 0 CCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263227181 389298890 /nfs/dbraw/zinc/29/88/90/389298890.db2.gz MZDRAEMZGUFNSL-NEPJUHHUSA-N 2 1 266.341 0.374 10 0 CCAEMP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000170830567 389464153 /nfs/dbraw/zinc/46/41/53/389464153.db2.gz LZGKUHRZGXBAFF-TZMCWYRMSA-N 2 1 280.416 0.816 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000335593655 389576841 /nfs/dbraw/zinc/57/68/41/389576841.db2.gz JTVWBUKOCYDITJ-WCQYABFASA-N 2 1 251.374 0.681 10 0 CCAEMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000182354677 389707250 /nfs/dbraw/zinc/70/72/50/389707250.db2.gz QCVJWRRNQFBUAJ-GJZGRUSLSA-N 2 1 296.459 0.598 10 0 CCAEMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000645084437 390368899 /nfs/dbraw/zinc/36/88/99/390368899.db2.gz UWYFSHXCMHIMMQ-IMRBUKKESA-N 2 1 256.390 0.989 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649328099 390586292 /nfs/dbraw/zinc/58/62/92/390586292.db2.gz XJMMOFMIADJPIW-TZMCWYRMSA-N 2 1 267.373 0.062 10 0 CCAEMP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000649304880 390563852 /nfs/dbraw/zinc/56/38/52/390563852.db2.gz KVNMEQZDTPUUJP-ZFWWWQNUSA-N 2 1 283.416 0.602 10 0 CCAEMP CC(C)[C@H](CNC(=O)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000040770610 397392888 /nfs/dbraw/zinc/39/28/88/397392888.db2.gz PUCVAIRRYUEMLE-STQMWFEESA-N 2 1 270.421 0.112 10 0 CCAEMP CCO[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@H]1C[NH3+] ZINC000405614196 411804281 /nfs/dbraw/zinc/80/42/81/411804281.db2.gz TVFBLRVTNJUQTA-GHMZBOCLSA-N 2 1 265.361 0.343 10 0 CCAEMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCC(N)=O ZINC000020872585 171277260 /nfs/dbraw/zinc/27/72/60/171277260.db2.gz YFFMFKMEMBDBLS-UHFFFAOYSA-N 2 1 281.356 0.258 10 0 CCAEMP NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000022167219 171366347 /nfs/dbraw/zinc/36/63/47/171366347.db2.gz PAMCBHZFOCPDBX-UHFFFAOYSA-N 2 1 290.367 0.281 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653110445 412222284 /nfs/dbraw/zinc/22/22/84/412222284.db2.gz JBDPELFLGZBXBD-GMTAPVOTSA-N 2 1 293.333 0.842 10 0 CCAEMP CC[N@H+]([C@H](C)C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000037538782 173259246 /nfs/dbraw/zinc/25/92/46/173259246.db2.gz MDTDSVZSWCZDCC-GFCCVEGCSA-N 2 1 269.389 0.308 10 0 CCAEMP CC[N@@H+]([C@H](C)C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000037538782 173259247 /nfs/dbraw/zinc/25/92/47/173259247.db2.gz MDTDSVZSWCZDCC-GFCCVEGCSA-N 2 1 269.389 0.308 10 0 CCAEMP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851601 414842618 /nfs/dbraw/zinc/84/26/18/414842618.db2.gz BXJZGQGIVNXCIX-WFASDCNBSA-N 2 1 283.416 0.744 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662852418 414842710 /nfs/dbraw/zinc/84/27/10/414842710.db2.gz KENNLPPWQYOYOW-NEPJUHHUSA-N 2 1 269.389 0.211 10 0 CCAEMP CN(CC[NH2+]C1CCOCC1)C[C@H]1CC[N@@H+](C)C1 ZINC000071192282 176074031 /nfs/dbraw/zinc/07/40/31/176074031.db2.gz WHDPEXXXXVLMLE-ZDUSSCGKSA-N 2 1 255.406 0.639 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000094459970 544544602 /nfs/dbraw/zinc/54/46/02/544544602.db2.gz ALOZUOLBHBCHHU-LOWDOPEQSA-N 2 1 251.374 0.809 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000136364213 544639558 /nfs/dbraw/zinc/63/95/58/544639558.db2.gz IPFWZTKWKRDOLD-DGCLKSJQSA-N 2 1 253.390 0.960 10 0 CCAEMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000227800577 544837613 /nfs/dbraw/zinc/83/76/13/544837613.db2.gz AHZGKPSAAFJVKN-MJBXVCDLSA-N 2 1 281.400 0.437 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000251571723 544927692 /nfs/dbraw/zinc/92/76/92/544927692.db2.gz CAOVLDRCFNHOIS-RYUDHWBXSA-N 2 1 251.374 0.953 10 0 CCAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252587870 544929363 /nfs/dbraw/zinc/92/93/63/544929363.db2.gz AGMANHAXDRNZEA-AVGNSLFASA-N 2 1 251.374 0.681 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000262151627 544942249 /nfs/dbraw/zinc/94/22/49/544942249.db2.gz RGTRICAFURJSGB-WFASDCNBSA-N 2 1 290.342 0.681 10 0 CCAEMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000262515927 287715806 /nfs/dbraw/zinc/71/58/06/287715806.db2.gz CPPJLTRAORXZIW-AVGNSLFASA-N 2 1 271.405 0.275 10 0 CCAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000162040124 277078351 /nfs/dbraw/zinc/07/83/51/277078351.db2.gz OYPRYFJTDWXIFC-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000162040124 277078352 /nfs/dbraw/zinc/07/83/52/277078352.db2.gz OYPRYFJTDWXIFC-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000162040124 277078353 /nfs/dbraw/zinc/07/83/53/277078353.db2.gz OYPRYFJTDWXIFC-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP CO[C@H]1C[C@@H](CO)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000344683474 277348495 /nfs/dbraw/zinc/34/84/95/277348495.db2.gz UXBVJUJBXKTAOJ-KBPBESRZSA-N 2 1 256.390 0.944 10 0 CCAEMP CO[C@H]1C[C@@H](CO)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000344683474 277348496 /nfs/dbraw/zinc/34/84/96/277348496.db2.gz UXBVJUJBXKTAOJ-KBPBESRZSA-N 2 1 256.390 0.944 10 0 CCAEMP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000085370884 278987799 /nfs/dbraw/zinc/98/77/99/278987799.db2.gz VHYOXMAVGXYYJO-ZNMIVQPWSA-N 2 1 297.443 0.977 10 0 CCAEMP CC[C@@H](C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588061 280106114 /nfs/dbraw/zinc/10/61/14/280106114.db2.gz MUOFIFGBHXCAOB-ZIAGYGMSSA-N 2 1 299.459 0.926 10 0 CCAEMP CC(C)[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000095088015 280272461 /nfs/dbraw/zinc/27/24/61/280272461.db2.gz XUXCIOSNEHZUNR-LBPRGKRZSA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@H](C(=O)N(C)C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246340275 289242379 /nfs/dbraw/zinc/24/23/79/289242379.db2.gz URRIWDZTVKNACI-HUUCEWRRSA-N 2 1 296.459 0.565 10 0 CCAEMP C[C@H](C(=O)N(C)C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246340275 289242381 /nfs/dbraw/zinc/24/23/81/289242381.db2.gz URRIWDZTVKNACI-HUUCEWRRSA-N 2 1 296.459 0.565 10 0 CCAEMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1[NH+](C)C ZINC000310939435 297010941 /nfs/dbraw/zinc/01/09/41/297010941.db2.gz KSYAEYYOLIFXIO-KWCYVHTRSA-N 2 1 255.406 0.323 10 0 CCAEMP NC(=O)NC(=O)CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000170928176 295067404 /nfs/dbraw/zinc/06/74/04/295067404.db2.gz CVMUFRGCDAXJDZ-UHFFFAOYSA-N 2 1 282.388 0.522 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)NCC[N@@H+]1CC=CCC1 ZINC000392895128 329062356 /nfs/dbraw/zinc/06/23/56/329062356.db2.gz CGTMNAOYDLPHQJ-ZDUSSCGKSA-N 2 1 251.374 0.754 10 0 CCAEMP CC[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](C3CC3)CC2)O1 ZINC000052371389 519981336 /nfs/dbraw/zinc/98/13/36/519981336.db2.gz UJEPSQAZRODQKI-HUUCEWRRSA-N 2 1 267.417 0.924 10 0 CCAEMP CC[C@@](C)(C[NH3+])C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061653752 523639066 /nfs/dbraw/zinc/63/90/66/523639066.db2.gz ZCPOJCWPXBWACD-AWEZNQCLSA-N 3 1 256.438 0.541 10 0 CCAEMP C[N@@H+]1CC[C@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000049309788 523980922 /nfs/dbraw/zinc/98/09/22/523980922.db2.gz OVAQIQLVTIHKDG-MRVPVSSYSA-N 2 1 253.268 0.206 10 0 CCAEMP C[N@H+]1CC[C@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000049309788 523980926 /nfs/dbraw/zinc/98/09/26/523980926.db2.gz OVAQIQLVTIHKDG-MRVPVSSYSA-N 2 1 253.268 0.206 10 0 CCAEMP NC(=[NH2+])c1c(F)cccc1N1CC[NH+](CCO)CC1 ZINC000062714764 526819656 /nfs/dbraw/zinc/81/96/56/526819656.db2.gz CCTVGEMOJMHMGU-UHFFFAOYSA-N 2 1 266.320 0.224 10 0 CCAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC000671715978 545258537 /nfs/dbraw/zinc/25/85/37/545258537.db2.gz UYOYQSNKBJLLTC-ZIAGYGMSSA-N 2 1 255.406 0.469 10 0 CCAEMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](O)c1cnc[nH]1 ZINC000865190607 616196929 /nfs/dbraw/zinc/19/69/29/616196929.db2.gz BPNMQYQNMIQAAV-JHJVBQTASA-N 2 1 278.356 0.528 10 0 CCAEMP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](O)c1c[nH]cn1 ZINC000865190607 616196930 /nfs/dbraw/zinc/19/69/30/616196930.db2.gz BPNMQYQNMIQAAV-JHJVBQTASA-N 2 1 278.356 0.528 10 0 CCAEMP C[N@H+]1CC[C@@](N)(c2nc(-c3ccn4c[nH+]cc4c3)no2)C1 ZINC000888078007 616347969 /nfs/dbraw/zinc/34/79/69/616347969.db2.gz AOLRRNCVINAAMU-AWEZNQCLSA-N 2 1 284.323 0.874 10 0 CCAEMP COC(=O)[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000312068587 625362208 /nfs/dbraw/zinc/36/22/08/625362208.db2.gz MFQGOGOXACGMCK-YNEHKIRRSA-N 2 1 270.373 0.184 10 0 CCAEMP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000312068587 625362214 /nfs/dbraw/zinc/36/22/14/625362214.db2.gz MFQGOGOXACGMCK-YNEHKIRRSA-N 2 1 270.373 0.184 10 0 CCAEMP CCCCOC[C@@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313333540 625770984 /nfs/dbraw/zinc/77/09/84/625770984.db2.gz FIAHQOGMSAMGCS-STQMWFEESA-N 2 1 260.378 0.214 10 0 CCAEMP CCCCOC[C@@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313333540 625770995 /nfs/dbraw/zinc/77/09/95/625770995.db2.gz FIAHQOGMSAMGCS-STQMWFEESA-N 2 1 260.378 0.214 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455239 631353160 /nfs/dbraw/zinc/35/31/60/631353160.db2.gz CKSYNRSNVGOOPF-SRVKXCTJSA-N 2 1 255.362 0.045 10 0 CCAEMP [NH3+][C@@H](CC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C1CC1 ZINC000123833387 646191458 /nfs/dbraw/zinc/19/14/58/646191458.db2.gz ISGHRKUGSORXEH-STQMWFEESA-N 2 1 251.374 0.811 10 0 CCAEMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000251155706 649805806 /nfs/dbraw/zinc/80/58/06/649805806.db2.gz KSSJJJNLNCRBEM-RRFJBIMHSA-N 2 1 295.427 0.746 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252651477 649830627 /nfs/dbraw/zinc/83/06/27/649830627.db2.gz OLQHRMIRGOADRA-FQUUOJAGSA-N 2 1 281.400 0.354 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1scnc1C1CC1 ZINC000263177677 137059496 /nfs/dbraw/zinc/05/94/96/137059496.db2.gz GIMLXTTXBONUCL-VHSXEESVSA-N 2 1 253.371 0.690 10 0 CCAEMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263110412 137058327 /nfs/dbraw/zinc/05/83/27/137058327.db2.gz AGDZPGZEKJSMRQ-TZMCWYRMSA-N 2 1 280.416 0.925 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1C ZINC000263267899 137062261 /nfs/dbraw/zinc/06/22/61/137062261.db2.gz RUTKPLOTRIBGAZ-OLZOCXBDSA-N 2 1 250.342 0.674 10 0 CCAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2C[NH2+]C2)C[C@@H](C)O1 ZINC000263301351 137063249 /nfs/dbraw/zinc/06/32/49/137063249.db2.gz NLZZJEBBLOVAND-GHMZBOCLSA-N 2 1 269.389 0.210 10 0 CCAEMP C[N@@H+](C[C@@H](O)CN1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000310923215 137072876 /nfs/dbraw/zinc/07/28/76/137072876.db2.gz HMYIOFKZJQSJGH-UONOGXRCSA-N 2 1 253.390 0.222 10 0 CCAEMP C[NH+](C[C@@H](O)CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000310923215 137072877 /nfs/dbraw/zinc/07/28/77/137072877.db2.gz HMYIOFKZJQSJGH-UONOGXRCSA-N 2 1 253.390 0.222 10 0 CCAEMP C[NH+](C[C@@H](O)CN1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000310923215 137072878 /nfs/dbraw/zinc/07/28/78/137072878.db2.gz HMYIOFKZJQSJGH-UONOGXRCSA-N 2 1 253.390 0.222 10 0 CCAEMP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263204814 137060677 /nfs/dbraw/zinc/06/06/77/137060677.db2.gz JPRRPERSONQIBR-CHWSQXEVSA-N 2 1 264.325 0.143 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054292202 348548030 /nfs/dbraw/zinc/54/80/30/348548030.db2.gz RPDZOMYCTPPDOJ-STQMWFEESA-N 2 1 253.390 0.834 10 0 CCAEMP CC(C)[NH+](CCNC(=O)[C@@H]1COCC[NH2+]1)C(C)C ZINC000088357515 349361008 /nfs/dbraw/zinc/36/10/08/349361008.db2.gz RXPQQYKDMQCAIX-LBPRGKRZSA-N 2 1 257.378 0.210 10 0 CCAEMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000123700945 350081139 /nfs/dbraw/zinc/08/11/39/350081139.db2.gz WCWKDDZWQSYTFL-GFCCVEGCSA-N 2 1 276.384 0.953 10 0 CCAEMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000123700945 350081143 /nfs/dbraw/zinc/08/11/43/350081143.db2.gz WCWKDDZWQSYTFL-GFCCVEGCSA-N 2 1 276.384 0.953 10 0 CCAEMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCN1CC[NH2+]CC1 ZINC000090623474 180015211 /nfs/dbraw/zinc/01/52/11/180015211.db2.gz QQAGCDJMQSIJIG-NSHDSACASA-N 2 1 257.378 0.341 10 0 CCAEMP CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000193068710 351809957 /nfs/dbraw/zinc/80/99/57/351809957.db2.gz ZIHGVJRBIXOXIT-OLMTUDMXSA-N 2 1 295.427 0.837 10 0 CCAEMP CC[C@H]1CN(Cc2c[nH]cn2)CC[N@H+]1C[C@H](C)O ZINC000245756954 352336957 /nfs/dbraw/zinc/33/69/57/352336957.db2.gz OVVIWZQYZGFSGX-AAEUAGOBSA-N 2 1 252.362 0.687 10 0 CCAEMP CC[C@H]1CN(Cc2cnc[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000245756954 352336960 /nfs/dbraw/zinc/33/69/60/352336960.db2.gz OVVIWZQYZGFSGX-AAEUAGOBSA-N 2 1 252.362 0.687 10 0 CCAEMP CC[C@H]1CN(Cc2cnc[nH]2)CC[N@H+]1C[C@H](C)O ZINC000245756954 352336962 /nfs/dbraw/zinc/33/69/62/352336962.db2.gz OVVIWZQYZGFSGX-AAEUAGOBSA-N 2 1 252.362 0.687 10 0 CCAEMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[NH+](C)C ZINC000246822955 352383967 /nfs/dbraw/zinc/38/39/67/352383967.db2.gz CBEXUXROYNQXOA-DZGCQCFKSA-N 2 1 290.411 0.970 10 0 CCAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C1CC1 ZINC000247478037 352417356 /nfs/dbraw/zinc/41/73/56/352417356.db2.gz IRVKPXIJELSGGI-OCCSQVGLSA-N 2 1 280.416 0.959 10 0 CCAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000247478037 352417359 /nfs/dbraw/zinc/41/73/59/352417359.db2.gz IRVKPXIJELSGGI-OCCSQVGLSA-N 2 1 280.416 0.959 10 0 CCAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000247478037 352417362 /nfs/dbraw/zinc/41/73/62/352417362.db2.gz IRVKPXIJELSGGI-OCCSQVGLSA-N 2 1 280.416 0.959 10 0 CCAEMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282537805 353432993 /nfs/dbraw/zinc/43/29/93/353432993.db2.gz ZLLWSSWWHAOSSR-JQWIXIFHSA-N 2 1 250.346 0.838 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000334954687 291190049 /nfs/dbraw/zinc/19/00/49/291190049.db2.gz CXFCEVRQJCMCFX-YPMHNXCESA-N 2 1 266.389 0.617 10 0 CCAEMP C[C@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)C[C@@H]1C[NH3+] ZINC000631844168 370709904 /nfs/dbraw/zinc/70/99/04/370709904.db2.gz VNCWXOURVLAHLW-RYUDHWBXSA-N 2 1 272.352 0.721 10 0 CCAEMP Cn1c2ccccc2[nH+]c1NCC1([NH3+])CCOCC1 ZINC000630524040 370144774 /nfs/dbraw/zinc/14/47/74/370144774.db2.gz FEUUMMQHVYISAZ-UHFFFAOYSA-N 2 1 260.341 0.915 10 0 CCAEMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333410227 205297515 /nfs/dbraw/zinc/29/75/15/205297515.db2.gz RDRFZSRWRDYLOK-LBPRGKRZSA-N 2 1 286.445 0.477 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[N@H+]1C[C@H](C)O ZINC000245432858 389206888 /nfs/dbraw/zinc/20/68/88/389206888.db2.gz OUGHLLJJBZRSCU-UONOGXRCSA-N 2 1 285.432 0.632 10 0 CCAEMP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1[NH3+] ZINC000333542655 389421648 /nfs/dbraw/zinc/42/16/48/389421648.db2.gz JLHPHIRMORZFGD-RKFYDKJMSA-N 2 1 280.416 0.990 10 0 CCAEMP CCc1cc(NC[C@@H]2C[NH2+]CCCO2)nc(C)[nH+]1 ZINC000333592658 389432822 /nfs/dbraw/zinc/43/28/22/389432822.db2.gz SXHKQYGVTHQBQC-LBPRGKRZSA-N 2 1 250.346 0.560 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000173291971 389500680 /nfs/dbraw/zinc/50/06/80/389500680.db2.gz XCVAHNSMNGZYAO-QWHCGFSZSA-N 2 1 271.405 0.242 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000173291971 389500684 /nfs/dbraw/zinc/50/06/84/389500684.db2.gz XCVAHNSMNGZYAO-QWHCGFSZSA-N 2 1 271.405 0.242 10 0 CCAEMP C[N@@H+](CC1CCS(=O)(=O)CC1)[C@H]1CCC[NH2+]CC1 ZINC000647912997 390216966 /nfs/dbraw/zinc/21/69/66/390216966.db2.gz WNUDVQDJVYESAX-ZDUSSCGKSA-N 2 1 274.430 0.885 10 0 CCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649318452 390575737 /nfs/dbraw/zinc/57/57/37/390575737.db2.gz LRPVDSOXDSEEIT-OCCSQVGLSA-N 2 1 271.405 0.602 10 0 CCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649318489 390576435 /nfs/dbraw/zinc/57/64/35/390576435.db2.gz PCRILRMCOVZELK-NEPJUHHUSA-N 2 1 257.378 0.069 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646140805 390616646 /nfs/dbraw/zinc/61/66/46/390616646.db2.gz XPEGNXVYQXUIOA-VXGBXAGGSA-N 2 1 253.390 0.927 10 0 CCAEMP Cn1c2ccccc2[nH+]c1NC[C@H]1C[NH2+]CCCO1 ZINC000389845128 397511453 /nfs/dbraw/zinc/51/14/53/397511453.db2.gz ZPQUIZXRNQBAFN-LLVKDONJSA-N 2 1 260.341 0.786 10 0 CCAEMP Cn1c2ccccc2[nH+]c1NC[C@@H]1C[NH2+]CCCO1 ZINC000389845129 397511474 /nfs/dbraw/zinc/51/14/74/397511474.db2.gz ZPQUIZXRNQBAFN-NSHDSACASA-N 2 1 260.341 0.786 10 0 CCAEMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000311006609 411748262 /nfs/dbraw/zinc/74/82/62/411748262.db2.gz JIDWVRDKTSUTNF-YUTCNCBUSA-N 2 1 256.390 0.582 10 0 CCAEMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000311006609 411748266 /nfs/dbraw/zinc/74/82/66/411748266.db2.gz JIDWVRDKTSUTNF-YUTCNCBUSA-N 2 1 256.390 0.582 10 0 CCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C1Cc2ccccc2C1 ZINC000038031130 174024869 /nfs/dbraw/zinc/02/48/69/174024869.db2.gz XSLOVRBNUBXRPV-UHFFFAOYSA-N 2 1 273.380 0.517 10 0 CCAEMP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCCC1 ZINC000038042788 174048018 /nfs/dbraw/zinc/04/80/18/174048018.db2.gz DGFPROFOEAVBMZ-ZDUSSCGKSA-N 2 1 251.374 0.825 10 0 CCAEMP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCCC1 ZINC000038042788 174048020 /nfs/dbraw/zinc/04/80/20/174048020.db2.gz DGFPROFOEAVBMZ-ZDUSSCGKSA-N 2 1 251.374 0.825 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662593581 414731401 /nfs/dbraw/zinc/73/14/01/414731401.db2.gz PLBLPZHLGGNBLN-VXGBXAGGSA-N 2 1 253.390 0.833 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071189833 176065984 /nfs/dbraw/zinc/06/59/84/176065984.db2.gz ZQLNSFHMSBRFBG-STQMWFEESA-N 2 1 253.390 0.786 10 0 CCAEMP CN(Cc1csc(C[NH3+])n1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191804 176072555 /nfs/dbraw/zinc/07/25/55/176072555.db2.gz DOTJUPIITCRTMF-JTQLQIEISA-N 2 1 254.403 0.985 10 0 CCAEMP CCN1CCN([C@@H](CC[NH3+])C[NH+]2CCCCC2)CC1 ZINC000076705779 177065494 /nfs/dbraw/zinc/06/54/94/177065494.db2.gz IHDKRIWZTPQNMA-HNNXBMFYSA-N 2 1 268.449 0.827 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000089455329 544512982 /nfs/dbraw/zinc/51/29/82/544512982.db2.gz ZQTUTGCBQODRMA-KKUMJFAQSA-N 2 1 295.427 0.685 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000089456813 544513493 /nfs/dbraw/zinc/51/34/93/544513493.db2.gz JQJGWLRIWRXTBM-XQQFMLRXSA-N 2 1 251.374 0.668 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C ZINC000246216206 544908685 /nfs/dbraw/zinc/90/86/85/544908685.db2.gz GFTOBRXBMIBOPG-QWRGUYRKSA-N 2 1 257.378 0.027 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000250659485 544924312 /nfs/dbraw/zinc/92/43/12/544924312.db2.gz PFQMAKIEJGTLKO-DYEKYZERSA-N 2 1 265.401 0.962 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@H]1C[NH2+]CCO1 ZINC000251717177 544927411 /nfs/dbraw/zinc/92/74/11/544927411.db2.gz JSOZUKSUZFQGPG-MGPQQGTHSA-N 2 1 253.390 0.533 10 0 CCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261710660 544937278 /nfs/dbraw/zinc/93/72/78/544937278.db2.gz JFMGRSRKECWANO-RBSFLKMASA-N 2 1 297.443 0.834 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000262153495 544941543 /nfs/dbraw/zinc/94/15/43/544941543.db2.gz RPCJABJRNZEKNC-WDEREUQCSA-N 2 1 272.295 0.958 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000311020634 545011529 /nfs/dbraw/zinc/01/15/29/545011529.db2.gz LPIDAJFRYRQWPZ-KGLIPLIRSA-N 2 1 258.406 0.924 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000311020634 545011531 /nfs/dbraw/zinc/01/15/31/545011531.db2.gz LPIDAJFRYRQWPZ-KGLIPLIRSA-N 2 1 258.406 0.924 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCCO ZINC000311020634 545011533 /nfs/dbraw/zinc/01/15/33/545011533.db2.gz LPIDAJFRYRQWPZ-KGLIPLIRSA-N 2 1 258.406 0.924 10 0 CCAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000408095735 288079802 /nfs/dbraw/zinc/07/98/02/288079802.db2.gz PRKPHWJYXGYSDS-JHJVBQTASA-N 2 1 289.445 0.340 10 0 CCAEMP CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000180527704 279301234 /nfs/dbraw/zinc/30/12/34/279301234.db2.gz RJDMKAAABOIAQS-CQSZACIVSA-N 2 1 282.432 0.177 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000180527704 279301236 /nfs/dbraw/zinc/30/12/36/279301236.db2.gz RJDMKAAABOIAQS-CQSZACIVSA-N 2 1 282.432 0.177 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246193419 279333090 /nfs/dbraw/zinc/33/30/90/279333090.db2.gz MNGCFSDJPUZGKM-KBPBESRZSA-N 2 1 298.431 0.443 10 0 CCAEMP C[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043162 300342295 /nfs/dbraw/zinc/34/22/95/300342295.db2.gz UBPOFBUDCLUPTI-JSGCOSHPSA-N 2 1 281.400 0.450 10 0 CCAEMP C[C@H]1COCCN1C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043162 300342298 /nfs/dbraw/zinc/34/22/98/300342298.db2.gz UBPOFBUDCLUPTI-JSGCOSHPSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[NH2+][C@@H](CC[NH+]1CCC(OCC)CC1)C(N)=O ZINC000062453392 520087667 /nfs/dbraw/zinc/08/76/67/520087667.db2.gz VSQFQHPFNJOVMT-LBPRGKRZSA-N 2 1 257.378 0.341 10 0 CCAEMP CCO[C@@H]1CCC[N@@H+](CCn2cc(C[NH2+]C)nn2)C1 ZINC000052372213 520320822 /nfs/dbraw/zinc/32/08/22/520320822.db2.gz PYXOVPVVKNTUHL-CYBMUJFWSA-N 2 1 267.377 0.498 10 0 CCAEMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000049557532 524167029 /nfs/dbraw/zinc/16/70/29/524167029.db2.gz QWAFFTSKRRSLBR-NEPJUHHUSA-N 2 1 257.378 0.164 10 0 CCAEMP C[C@H]1CC[C@H](C(=O)N2CCC[N@@H+](C)CC2)C[C@@H]1[NH3+] ZINC000055124301 524379577 /nfs/dbraw/zinc/37/95/77/524379577.db2.gz CRTHAGSQIIBKNO-AVGNSLFASA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@@H]1CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C[C@@H]1[NH3+] ZINC000055124303 524555042 /nfs/dbraw/zinc/55/50/42/524555042.db2.gz CRTHAGSQIIBKNO-UPJWGTAASA-N 2 1 253.390 0.914 10 0 CCAEMP [NH3+]Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000061710169 527256119 /nfs/dbraw/zinc/25/61/19/527256119.db2.gz UKQALMJBXINFSW-ZDUSSCGKSA-N 2 1 263.341 0.541 10 0 CCAEMP C[NH2+]C[C@H](C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000263301450 536461476 /nfs/dbraw/zinc/46/14/76/536461476.db2.gz ZHOYHETZQGDYEQ-QWHCGFSZSA-N 2 1 283.416 0.554 10 0 CCAEMP [NH3+][C@@H](CC1CC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000306112481 649894605 /nfs/dbraw/zinc/89/46/05/649894605.db2.gz WVCXNSWJRYDQKJ-OLZOCXBDSA-N 2 1 251.374 0.811 10 0 CCAEMP [NH3+][C@@H](CC1CC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000306112481 649894608 /nfs/dbraw/zinc/89/46/08/649894608.db2.gz WVCXNSWJRYDQKJ-OLZOCXBDSA-N 2 1 251.374 0.811 10 0 CCAEMP CCCCOC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300312744 614453443 /nfs/dbraw/zinc/45/34/43/614453443.db2.gz KWAZSAQKACYAEY-RRFJBIMHSA-N 2 1 286.416 0.617 10 0 CCAEMP CCCCOC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300312744 614453446 /nfs/dbraw/zinc/45/34/46/614453446.db2.gz KWAZSAQKACYAEY-RRFJBIMHSA-N 2 1 286.416 0.617 10 0 CCAEMP C[C@H]([NH3+])CCc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686043 622912460 /nfs/dbraw/zinc/91/24/60/622912460.db2.gz UEIPOTQSUQYLKA-HBNTYKKESA-N 2 1 266.345 0.885 10 0 CCAEMP C[C@H]([NH3+])CCc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686043 622912468 /nfs/dbraw/zinc/91/24/68/622912468.db2.gz UEIPOTQSUQYLKA-HBNTYKKESA-N 2 1 266.345 0.885 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311251100 623682499 /nfs/dbraw/zinc/68/24/99/623682499.db2.gz FAMHNKYFGYCFEU-HUUCEWRRSA-N 2 1 269.433 0.859 10 0 CCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000306064275 624594182 /nfs/dbraw/zinc/59/41/82/624594182.db2.gz XOWZYDGAIZZDBI-FRRDWIJNSA-N 2 1 256.390 0.846 10 0 CCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000306064275 624594190 /nfs/dbraw/zinc/59/41/90/624594190.db2.gz XOWZYDGAIZZDBI-FRRDWIJNSA-N 2 1 256.390 0.846 10 0 CCAEMP C[NH+](C)CC(=O)Nc1ccc(OC2CC[NH2+]CC2)nc1 ZINC000169749335 637057809 /nfs/dbraw/zinc/05/78/09/637057809.db2.gz DJFMTATUEHENLP-UHFFFAOYSA-N 2 1 278.356 0.713 10 0 CCAEMP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062973810 637190149 /nfs/dbraw/zinc/19/01/49/637190149.db2.gz MHHPBOWDYOMEAR-CQSZACIVSA-N 2 1 253.390 0.535 10 0 CCAEMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062973810 637190155 /nfs/dbraw/zinc/19/01/55/637190155.db2.gz MHHPBOWDYOMEAR-CQSZACIVSA-N 2 1 253.390 0.535 10 0 CCAEMP C[NH+]1CCN(C(=O)CC[NH2+]CCc2ccccc2)CC1 ZINC000242836699 638457069 /nfs/dbraw/zinc/45/70/69/638457069.db2.gz FTOUWWWNNUNASH-UHFFFAOYSA-N 2 1 275.396 0.983 10 0 CCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250583689 649776509 /nfs/dbraw/zinc/77/65/09/649776509.db2.gz LARZTTIVRWDAKU-PIGZVRMJSA-N 2 1 256.390 0.987 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758132 349776121 /nfs/dbraw/zinc/77/61/21/349776121.db2.gz YUDZNTRZNGWMPN-GFCCVEGCSA-N 2 1 269.389 0.356 10 0 CCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000262515929 137045551 /nfs/dbraw/zinc/04/55/51/137045551.db2.gz CPPJLTRAORXZIW-XQQFMLRXSA-N 2 1 271.405 0.275 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000262198081 137030491 /nfs/dbraw/zinc/03/04/91/137030491.db2.gz ZTGZYWWAAAJARQ-ZYHUDNBSSA-N 2 1 272.295 0.958 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263217838 137060307 /nfs/dbraw/zinc/06/03/07/137060307.db2.gz LEYKDJSWOBQFDP-STQMWFEESA-N 2 1 280.368 0.764 10 0 CCAEMP CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088358211 349361040 /nfs/dbraw/zinc/36/10/40/349361040.db2.gz PYZFLKHFHYTVQG-ZDUSSCGKSA-N 2 1 269.389 0.356 10 0 CCAEMP CC1CC[NH+](CCCCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000236697567 352206392 /nfs/dbraw/zinc/20/63/92/352206392.db2.gz FDQZBEPSVIVRNP-CQSZACIVSA-N 2 1 283.416 0.603 10 0 CCAEMP CCC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000245930692 352342895 /nfs/dbraw/zinc/34/28/95/352342895.db2.gz YILFRGJIIYPGDK-BFHYXJOUSA-N 2 1 285.432 0.630 10 0 CCAEMP CCC[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000245930692 352342900 /nfs/dbraw/zinc/34/29/00/352342900.db2.gz YILFRGJIIYPGDK-BFHYXJOUSA-N 2 1 285.432 0.630 10 0 CCAEMP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000333358166 354756949 /nfs/dbraw/zinc/75/69/49/354756949.db2.gz KRTIULIMRXNWEZ-VXGBXAGGSA-N 2 1 268.405 0.910 10 0 CCAEMP O=C([C@H]1CCNCC1(F)F)N1CCN2CCCC[C@H]2C1 ZINC000335120227 354967327 /nfs/dbraw/zinc/96/73/27/354967327.db2.gz VJQPSDGOVKDGEM-NWDGAFQWSA-N 2 1 287.354 0.928 10 0 CCAEMP O=C(NC1C[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000335378291 354994678 /nfs/dbraw/zinc/99/46/78/354994678.db2.gz KWIFCWJMZGCRGW-BXUZGUMPSA-N 2 1 278.400 0.617 10 0 CCAEMP NC(=[NH2+])NCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000584605004 359179034 /nfs/dbraw/zinc/17/90/34/359179034.db2.gz YNJRRIQWJRCBIH-UHFFFAOYSA-N 2 1 261.373 0.682 10 0 CCAEMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC000336364327 296037480 /nfs/dbraw/zinc/03/74/80/296037480.db2.gz HQORLDCWEVDJJI-NSHDSACASA-N 2 1 287.354 0.833 10 0 CCAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333486591 205366420 /nfs/dbraw/zinc/36/64/20/205366420.db2.gz CTMPKAGRNCOTTP-CYBMUJFWSA-N 2 1 284.404 0.102 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334257378 206266371 /nfs/dbraw/zinc/26/63/71/206266371.db2.gz NCRBRGPKTPTJNT-ZDUSSCGKSA-N 2 1 280.416 0.960 10 0 CCAEMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000638975942 375491976 /nfs/dbraw/zinc/49/19/76/375491976.db2.gz QOANSZLQCHWETH-LBPRGKRZSA-N 2 1 269.389 0.308 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C ZINC000178775692 285040148 /nfs/dbraw/zinc/04/01/48/285040148.db2.gz RJUKXIIVRKAEGW-LBPRGKRZSA-N 2 1 269.389 0.437 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C ZINC000178775692 285040150 /nfs/dbraw/zinc/04/01/50/285040150.db2.gz RJUKXIIVRKAEGW-LBPRGKRZSA-N 2 1 269.389 0.437 10 0 CCAEMP COC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915580 389088563 /nfs/dbraw/zinc/08/85/63/389088563.db2.gz WUQZROGKZPEXSJ-NSHDSACASA-N 2 1 258.362 0.184 10 0 CCAEMP COC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915580 389088567 /nfs/dbraw/zinc/08/85/67/389088567.db2.gz WUQZROGKZPEXSJ-NSHDSACASA-N 2 1 258.362 0.184 10 0 CCAEMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000313952913 389116216 /nfs/dbraw/zinc/11/62/16/389116216.db2.gz CJCAYCGGQRMBDI-JQWIXIFHSA-N 2 1 250.346 0.609 10 0 CCAEMP COC[C@H](O)C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195287764 389121859 /nfs/dbraw/zinc/12/18/59/389121859.db2.gz MKPJFIJMZKNEPR-JKSUJKDBSA-N 2 1 293.411 0.843 10 0 CCAEMP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1[NH3+] ZINC000333542652 389421368 /nfs/dbraw/zinc/42/13/68/389421368.db2.gz JLHPHIRMORZFGD-JWURUJNWSA-N 2 1 280.416 0.990 10 0 CCAEMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@@H]1[NH3+] ZINC000333687387 389440275 /nfs/dbraw/zinc/44/02/75/389440275.db2.gz CFEGHCSIPFKOPO-XBFCOCLRSA-N 2 1 280.416 0.992 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1Cc1ncnn1C ZINC000177372688 389581305 /nfs/dbraw/zinc/58/13/05/389581305.db2.gz HEDJMYFSJFNMEL-LBPRGKRZSA-N 2 1 260.345 0.985 10 0 CCAEMP CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000579355003 390164796 /nfs/dbraw/zinc/16/47/96/390164796.db2.gz SZGPYNALZREWBV-QJPTWQEYSA-N 2 1 272.414 0.480 10 0 CCAEMP CS(=O)(=O)CC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000579355003 390164798 /nfs/dbraw/zinc/16/47/98/390164798.db2.gz SZGPYNALZREWBV-QJPTWQEYSA-N 2 1 272.414 0.480 10 0 CCAEMP COCC1(C[NH2+]C2CC[NH+](CCO)CC2)CCC1 ZINC000398951746 411775175 /nfs/dbraw/zinc/77/51/75/411775175.db2.gz DVPFFPVORLDOBU-UHFFFAOYSA-N 2 1 256.390 0.849 10 0 CCAEMP [NH3+]C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000020225996 171090164 /nfs/dbraw/zinc/09/01/64/171090164.db2.gz PAAZYGGMLAMBBZ-CQSZACIVSA-N 2 1 283.803 0.950 10 0 CCAEMP C[C@@H]1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)[NH2+]1 ZINC000037393634 173174667 /nfs/dbraw/zinc/17/46/67/173174667.db2.gz PDUPJWSKVPJGBL-CHWSQXEVSA-N 2 1 269.389 0.356 10 0 CCAEMP CC[N@H+]([C@@H](C)C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000037538780 173258646 /nfs/dbraw/zinc/25/86/46/173258646.db2.gz MDTDSVZSWCZDCC-LBPRGKRZSA-N 2 1 269.389 0.308 10 0 CCAEMP CC[N@@H+]([C@@H](C)C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000037538780 173258648 /nfs/dbraw/zinc/25/86/48/173258648.db2.gz MDTDSVZSWCZDCC-LBPRGKRZSA-N 2 1 269.389 0.308 10 0 CCAEMP C[N@@H+](CCCn1ccc(N)n1)C[C@@H]1CC[NH+](C)C1 ZINC000071352573 176135460 /nfs/dbraw/zinc/13/54/60/176135460.db2.gz AJPMJOBKPDHUAK-LBPRGKRZSA-N 2 1 251.378 0.739 10 0 CCAEMP C[NH+](CCCn1ccc(N)n1)C[C@@H]1CC[N@H+](C)C1 ZINC000071352573 176135462 /nfs/dbraw/zinc/13/54/62/176135462.db2.gz AJPMJOBKPDHUAK-LBPRGKRZSA-N 2 1 251.378 0.739 10 0 CCAEMP C[NH+](CCCn1ccc(N)n1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071352573 176135463 /nfs/dbraw/zinc/13/54/63/176135463.db2.gz AJPMJOBKPDHUAK-LBPRGKRZSA-N 2 1 251.378 0.739 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)COCC[NH3+] ZINC000094447072 544544226 /nfs/dbraw/zinc/54/42/26/544544226.db2.gz SZUUGBDLRCMPMS-VXGBXAGGSA-N 2 1 255.362 0.047 10 0 CCAEMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371159 544505961 /nfs/dbraw/zinc/50/59/61/544505961.db2.gz QKLALZKXJBZNGV-AWEZNQCLSA-N 2 1 283.416 0.554 10 0 CCAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371159 544505963 /nfs/dbraw/zinc/50/59/63/544505963.db2.gz QKLALZKXJBZNGV-AWEZNQCLSA-N 2 1 283.416 0.554 10 0 CCAEMP CC(C)(C)n1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262075760 544939340 /nfs/dbraw/zinc/93/93/40/544939340.db2.gz DGDRXSCHONECGS-NWDGAFQWSA-N 2 1 252.362 0.308 10 0 CCAEMP COCc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262132634 544940775 /nfs/dbraw/zinc/94/07/75/544940775.db2.gz OFUVGFGMZYHLOF-KBPBESRZSA-N 2 1 250.342 0.503 10 0 CCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000262515930 287871579 /nfs/dbraw/zinc/87/15/79/287871579.db2.gz CPPJLTRAORXZIW-YNEHKIRRSA-N 2 1 271.405 0.275 10 0 CCAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ncnn3C2)[C@@H](C)C1 ZINC000246303462 276231555 /nfs/dbraw/zinc/23/15/55/276231555.db2.gz DFYHKLFYAICGIS-AVGNSLFASA-N 2 1 263.389 0.913 10 0 CCAEMP COC(=O)C[C@H]1CSCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262093819 277330762 /nfs/dbraw/zinc/33/07/62/277330762.db2.gz UZBSTCGMLTZMRE-WCQYABFASA-N 2 1 272.414 0.967 10 0 CCAEMP COC(=O)C[C@H]1CSCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262093819 277330763 /nfs/dbraw/zinc/33/07/63/277330763.db2.gz UZBSTCGMLTZMRE-WCQYABFASA-N 2 1 272.414 0.967 10 0 CCAEMP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000085370885 279159470 /nfs/dbraw/zinc/15/94/70/279159470.db2.gz VHYOXMAVGXYYJO-KFWWJZLASA-N 2 1 297.443 0.977 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000248854423 279392534 /nfs/dbraw/zinc/39/25/34/279392534.db2.gz CMDSWENGHQWAMW-SRVKXCTJSA-N 2 1 255.362 0.093 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000248854423 279392536 /nfs/dbraw/zinc/39/25/36/279392536.db2.gz CMDSWENGHQWAMW-SRVKXCTJSA-N 2 1 255.362 0.093 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)[C@@H]2C1 ZINC000333817395 290153005 /nfs/dbraw/zinc/15/30/05/290153005.db2.gz KIFBYMJMGVFQRF-JHJVBQTASA-N 2 1 266.389 0.459 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000389615545 545086951 /nfs/dbraw/zinc/08/69/51/545086951.db2.gz ZEILJXXODOEVQT-ZDUSSCGKSA-N 2 1 282.432 0.271 10 0 CCAEMP C(CN1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049565573 518387740 /nfs/dbraw/zinc/38/77/40/518387740.db2.gz XSAKMFOJTBOYMU-KGLIPLIRSA-N 2 1 253.390 0.535 10 0 CCAEMP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCN(CC)CC2)O1 ZINC000052422486 519981648 /nfs/dbraw/zinc/98/16/48/519981648.db2.gz MWERYMWATXSYJY-ZIAGYGMSSA-N 2 1 255.406 0.781 10 0 CCAEMP CC[NH2+][C@H](C)CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061271379 520165356 /nfs/dbraw/zinc/16/53/56/520165356.db2.gz LYQHRUMIRLIOIZ-NEPJUHHUSA-N 2 1 253.390 0.975 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000055124615 521667804 /nfs/dbraw/zinc/66/78/04/521667804.db2.gz FXQOQYQPNNUJBS-UPJWGTAASA-N 2 1 253.390 0.914 10 0 CCAEMP C[NH2+]Cc1cn(CC[NH+]2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000052380542 522146378 /nfs/dbraw/zinc/14/63/78/522146378.db2.gz QIUBWOJTLWOCQZ-QWRGUYRKSA-N 2 1 253.350 0.107 10 0 CCAEMP COC(=O)[C@@H]([NH3+])CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062523738 523596280 /nfs/dbraw/zinc/59/62/80/523596280.db2.gz PWLXTHWRBJBCHJ-NSHDSACASA-N 2 1 257.378 0.293 10 0 CCAEMP C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](C)CC2)C[C@@H]1[NH3+] ZINC000055124298 524630203 /nfs/dbraw/zinc/63/02/03/524630203.db2.gz CRTHAGSQIIBKNO-AGIUHOORSA-N 2 1 253.390 0.914 10 0 CCAEMP Cc1nccn1CC[N@H+]1CCCN(CC[NH3+])CC1 ZINC000049329600 527426426 /nfs/dbraw/zinc/42/64/26/527426426.db2.gz NFAARRXXEPAGLC-UHFFFAOYSA-N 2 1 251.378 0.158 10 0 CCAEMP C[NH2+][C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1cnn(C)c1 ZINC000262356917 536383382 /nfs/dbraw/zinc/38/33/82/536383382.db2.gz JUJNCEUQRXQPKL-OLZOCXBDSA-N 2 1 279.388 0.137 10 0 CCAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CC[NH+](C)CC1 ZINC000399000297 581207086 /nfs/dbraw/zinc/20/70/86/581207086.db2.gz RXEVCGIQVGKCAQ-CYBMUJFWSA-N 3 1 269.433 0.763 10 0 CCAEMP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399276774 581208990 /nfs/dbraw/zinc/20/89/90/581208990.db2.gz VZFQWSDLVQLFTN-LBPRGKRZSA-N 2 1 252.362 0.318 10 0 CCAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000299926171 631756587 /nfs/dbraw/zinc/75/65/87/631756587.db2.gz KMSBDCMGTFFSQA-IGQOVBAYSA-N 2 1 254.374 0.743 10 0 CCAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000299926171 631756594 /nfs/dbraw/zinc/75/65/94/631756594.db2.gz KMSBDCMGTFFSQA-IGQOVBAYSA-N 2 1 254.374 0.743 10 0 CCAEMP NC(=O)c1cc(NCC[NH+]2CCC([NH3+])CC2)ccn1 ZINC000321430338 632855760 /nfs/dbraw/zinc/85/57/60/632855760.db2.gz WZFBHZVJBWZBBH-UHFFFAOYSA-N 2 1 263.345 0.016 10 0 CCAEMP C[C@]1(C[N@H+]2CC[C@@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000222905331 636886288 /nfs/dbraw/zinc/88/62/88/636886288.db2.gz MWEUOTKTPUWXCS-CABCVRRESA-N 2 1 267.417 0.783 10 0 CCAEMP CC[C@@H]1CN(C(=O)CCCCC[NH3+])CC[N@H+]1C[C@H](C)O ZINC000249087879 649740685 /nfs/dbraw/zinc/74/06/85/649740685.db2.gz UETMPBQLPZRBSF-UONOGXRCSA-N 2 1 285.432 0.809 10 0 CCAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000111270805 349769344 /nfs/dbraw/zinc/76/93/44/349769344.db2.gz DWIFCEIXYKIYQF-FRRDWIJNSA-N 2 1 253.390 0.688 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C ZINC000246197857 290090268 /nfs/dbraw/zinc/09/02/68/290090268.db2.gz DQXNUOYJMHZURL-NEPJUHHUSA-N 2 1 269.389 0.171 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C ZINC000246197857 290090273 /nfs/dbraw/zinc/09/02/73/290090273.db2.gz DQXNUOYJMHZURL-NEPJUHHUSA-N 2 1 269.389 0.171 10 0 CCAEMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000262433352 137043407 /nfs/dbraw/zinc/04/34/07/137043407.db2.gz UCDFRCWOICXEBG-VXGBXAGGSA-N 2 1 253.390 0.833 10 0 CCAEMP COc1ccc(C)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263286195 137062984 /nfs/dbraw/zinc/06/29/84/137062984.db2.gz VAYYRRRCOYAVHM-QWHCGFSZSA-N 2 1 250.342 0.674 10 0 CCAEMP O=C([C@H]1COCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000088371164 349363284 /nfs/dbraw/zinc/36/32/84/349363284.db2.gz XSZMQLYERXDHNI-CQSZACIVSA-N 2 1 281.400 0.309 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCn2ccnc2)C1 ZINC000130793023 350248716 /nfs/dbraw/zinc/24/87/16/350248716.db2.gz DKMSCYCXLVXKKD-OLZOCXBDSA-N 2 1 279.388 0.911 10 0 CCAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000154776269 350598720 /nfs/dbraw/zinc/59/87/20/350598720.db2.gz BXOSUQVUSPBXCA-QWHCGFSZSA-N 2 1 291.461 0.588 10 0 CCAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000154776269 350598723 /nfs/dbraw/zinc/59/87/23/350598723.db2.gz BXOSUQVUSPBXCA-QWHCGFSZSA-N 2 1 291.461 0.588 10 0 CCAEMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000165109092 350787979 /nfs/dbraw/zinc/78/79/79/350787979.db2.gz QSKLOODRYZGCMB-KBPBESRZSA-N 2 1 283.416 0.746 10 0 CCAEMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000165109092 350787985 /nfs/dbraw/zinc/78/79/85/350787985.db2.gz QSKLOODRYZGCMB-KBPBESRZSA-N 2 1 283.416 0.746 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000168420818 350825869 /nfs/dbraw/zinc/82/58/69/350825869.db2.gz LXGBKIYREUDZHF-YPMHNXCESA-N 2 1 257.353 0.631 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000171211621 350894356 /nfs/dbraw/zinc/89/43/56/350894356.db2.gz UYUUXBDDGNBJHT-UHFFFAOYSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171211621 350894357 /nfs/dbraw/zinc/89/43/57/350894357.db2.gz UYUUXBDDGNBJHT-UHFFFAOYSA-N 2 1 298.431 0.444 10 0 CCAEMP COCC[NH+](C)CCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000171211621 350894358 /nfs/dbraw/zinc/89/43/58/350894358.db2.gz UYUUXBDDGNBJHT-UHFFFAOYSA-N 2 1 298.431 0.444 10 0 CCAEMP COCCC[N@@H+](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000181010079 351298448 /nfs/dbraw/zinc/29/84/48/351298448.db2.gz OUAZCVKAGRUESD-AWEZNQCLSA-N 2 1 271.405 0.603 10 0 CCAEMP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000189437516 351679510 /nfs/dbraw/zinc/67/95/10/351679510.db2.gz QMIRKGOXKVAZCB-AWEZNQCLSA-N 2 1 299.440 0.358 10 0 CCAEMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629267 351837328 /nfs/dbraw/zinc/83/73/28/351837328.db2.gz GBYWVKXKBYODHN-MJBXVCDLSA-N 2 1 256.390 0.513 10 0 CCAEMP CC(C)COC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193629267 351837331 /nfs/dbraw/zinc/83/73/31/351837331.db2.gz GBYWVKXKBYODHN-MJBXVCDLSA-N 2 1 256.390 0.513 10 0 CCAEMP CC(C)COC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193629267 351837333 /nfs/dbraw/zinc/83/73/33/351837333.db2.gz GBYWVKXKBYODHN-MJBXVCDLSA-N 2 1 256.390 0.513 10 0 CCAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000330364988 354326117 /nfs/dbraw/zinc/32/61/17/354326117.db2.gz BXOSUQVUSPBXCA-OLZOCXBDSA-N 2 1 291.461 0.588 10 0 CCAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000330364988 354326119 /nfs/dbraw/zinc/32/61/19/354326119.db2.gz BXOSUQVUSPBXCA-OLZOCXBDSA-N 2 1 291.461 0.588 10 0 CCAEMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333789747 354794083 /nfs/dbraw/zinc/79/40/83/354794083.db2.gz FZMIJFDNWNQZCR-CHWSQXEVSA-N 2 1 291.399 0.887 10 0 CCAEMP C[C@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CCCC[NH2+]1 ZINC000336221645 213048454 /nfs/dbraw/zinc/04/84/54/213048454.db2.gz AMEGOKFOQBJJQB-CHWSQXEVSA-N 2 1 257.353 0.679 10 0 CCAEMP COCCCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178320617 189106335 /nfs/dbraw/zinc/10/63/35/189106335.db2.gz OUSAPWYGUDTVCH-CQSZACIVSA-N 2 1 294.399 0.809 10 0 CCAEMP COCCCNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178320617 189106336 /nfs/dbraw/zinc/10/63/36/189106336.db2.gz OUSAPWYGUDTVCH-CQSZACIVSA-N 2 1 294.399 0.809 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000631842673 370707186 /nfs/dbraw/zinc/70/71/86/370707186.db2.gz DJDKYTFTBXAHEV-UPJWGTAASA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000631842673 370707193 /nfs/dbraw/zinc/70/71/93/370707193.db2.gz DJDKYTFTBXAHEV-UPJWGTAASA-N 2 1 253.390 0.914 10 0 CCAEMP CCOC(=O)C1CC[NH+]([C@H]2CCC[C@@H]([NH2+]C)[C@@H]2O)CC1 ZINC000616578225 365375086 /nfs/dbraw/zinc/37/50/86/365375086.db2.gz KJZLUFJQGVOYBE-RDBSUJKOSA-N 2 1 284.400 0.763 10 0 CCAEMP CCc1cc(NCC2([NH3+])CCOCC2)nc(C)[nH+]1 ZINC000630524870 370145677 /nfs/dbraw/zinc/14/56/77/370145677.db2.gz YNQIOFYTWIJNAK-UHFFFAOYSA-N 2 1 250.346 0.689 10 0 CCAEMP COCC[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333486593 205366314 /nfs/dbraw/zinc/36/63/14/205366314.db2.gz CTMPKAGRNCOTTP-ZDUSSCGKSA-N 2 1 284.404 0.102 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000638087315 374645709 /nfs/dbraw/zinc/64/57/09/374645709.db2.gz QRRIXUYGMSEJIA-IPYPFGDCSA-N 2 1 281.400 0.450 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000638087315 374645714 /nfs/dbraw/zinc/64/57/14/374645714.db2.gz QRRIXUYGMSEJIA-IPYPFGDCSA-N 2 1 281.400 0.450 10 0 CCAEMP NC(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037649425 184542138 /nfs/dbraw/zinc/54/21/38/184542138.db2.gz IEOBZFLFJHHQOW-NSHDSACASA-N 2 1 266.389 0.603 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000335284715 208103014 /nfs/dbraw/zinc/10/30/14/208103014.db2.gz AMJRTUMVCVDPFW-VXGBXAGGSA-N 2 1 254.378 0.603 10 0 CCAEMP C(CN1CC[NH+]2CCC[C@H]2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172163403 389485639 /nfs/dbraw/zinc/48/56/39/389485639.db2.gz WRYZKUIRQKFIEN-IYBDPMFKSA-N 2 1 278.444 0.546 10 0 CCAEMP C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172163403 389485642 /nfs/dbraw/zinc/48/56/42/389485642.db2.gz WRYZKUIRQKFIEN-IYBDPMFKSA-N 2 1 278.444 0.546 10 0 CCAEMP C(CN1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172163403 389485646 /nfs/dbraw/zinc/48/56/46/389485646.db2.gz WRYZKUIRQKFIEN-IYBDPMFKSA-N 2 1 278.444 0.546 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000333897365 389448687 /nfs/dbraw/zinc/44/86/87/389448687.db2.gz AZSFOBNXGIVBMB-TUAOUCFPSA-N 2 1 254.378 0.520 10 0 CCAEMP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000334939650 389511513 /nfs/dbraw/zinc/51/15/13/389511513.db2.gz UKHVPLCJMHMWGJ-NWDGAFQWSA-N 2 1 252.362 0.228 10 0 CCAEMP CN1CCO[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000174343583 389519547 /nfs/dbraw/zinc/51/95/47/389519547.db2.gz QDHXLDFOAPGBSB-OLZOCXBDSA-N 2 1 267.373 0.014 10 0 CCAEMP CN1CCO[C@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000174343583 389519554 /nfs/dbraw/zinc/51/95/54/389519554.db2.gz QDHXLDFOAPGBSB-OLZOCXBDSA-N 2 1 267.373 0.014 10 0 CCAEMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000380596469 389764371 /nfs/dbraw/zinc/76/43/71/389764371.db2.gz FRPRUEXUONBIDS-NWDGAFQWSA-N 2 1 250.346 0.683 10 0 CCAEMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000649333336 390588373 /nfs/dbraw/zinc/58/83/73/390588373.db2.gz NCXDJFBZWUAYCB-DYEKYZERSA-N 2 1 269.389 0.354 10 0 CCAEMP COC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000643781222 390546898 /nfs/dbraw/zinc/54/68/98/390546898.db2.gz MZPBXFIXMXTLRF-IPYPFGDCSA-N 2 1 281.400 0.450 10 0 CCAEMP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000649304879 390563575 /nfs/dbraw/zinc/56/35/75/390563575.db2.gz KVNMEQZDTPUUJP-UKRRQHHQSA-N 2 1 283.416 0.602 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305920 390564968 /nfs/dbraw/zinc/56/49/68/390564968.db2.gz LYAVWGXBSATFCT-WDEREUQCSA-N 2 1 275.343 0.832 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649335095 390591629 /nfs/dbraw/zinc/59/16/29/390591629.db2.gz FCAOBZMWKXURKY-IJLUTSLNSA-N 2 1 287.354 0.926 10 0 CCAEMP CN1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000657695935 413049221 /nfs/dbraw/zinc/04/92/21/413049221.db2.gz QKAVVIUAXIDRMD-YNEHKIRRSA-N 2 1 251.374 0.681 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653110446 412222431 /nfs/dbraw/zinc/22/24/31/412222431.db2.gz JBDPELFLGZBXBD-HBNTYKKESA-N 2 1 293.333 0.842 10 0 CCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112456 412224429 /nfs/dbraw/zinc/22/44/29/412224429.db2.gz ZEKFNUYPTVITPG-IVZWLZJFSA-N 2 1 279.306 0.595 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264531 414702395 /nfs/dbraw/zinc/70/23/95/414702395.db2.gz SGJRNJPMOYHUGF-RDBSUJKOSA-N 2 1 265.401 0.676 10 0 CCAEMP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000662263227 414702815 /nfs/dbraw/zinc/70/28/15/414702815.db2.gz LKLHROWSWRSJIZ-STQMWFEESA-N 2 1 251.374 0.287 10 0 CCAEMP CC[NH+]1CCC(C[NH3+])(N(C)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000071188587 176063571 /nfs/dbraw/zinc/06/35/71/176063571.db2.gz MYOYCBOWPMQCOV-AWEZNQCLSA-N 3 1 268.449 0.683 10 0 CCAEMP COCC[N@H+](CCOCC(F)(F)F)CCC(N)=[NH2+] ZINC000071229023 176091344 /nfs/dbraw/zinc/09/13/44/176091344.db2.gz MMKSCBWESFKUPZ-UHFFFAOYSA-N 2 1 271.283 0.840 10 0 CCAEMP COCC[N@@H+](CCOCC(F)(F)F)CCC(N)=[NH2+] ZINC000071229023 176091346 /nfs/dbraw/zinc/09/13/46/176091346.db2.gz MMKSCBWESFKUPZ-UHFFFAOYSA-N 2 1 271.283 0.840 10 0 CCAEMP C[N@@H+](CCO)C1CCC(C)([NH+]2CCOCC2)CC1 ZINC000725262587 545882179 /nfs/dbraw/zinc/88/21/79/545882179.db2.gz IBSMIEPQDOWNBL-UHFFFAOYSA-N 2 1 256.390 0.944 10 0 CCAEMP FC1(F)C[NH2+][C@@H](CNc2ccnn2C2C[NH2+]C2)C1 ZINC000725260473 545882633 /nfs/dbraw/zinc/88/26/33/545882633.db2.gz TYGFBONBRAJLHH-MRVPVSSYSA-N 2 1 257.288 0.437 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089460975 544514846 /nfs/dbraw/zinc/51/48/46/544514846.db2.gz ZVTFSISSSKIHTN-DMDPSCGWSA-N 2 1 251.374 0.714 10 0 CCAEMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)o1 ZINC000262130938 544940419 /nfs/dbraw/zinc/94/04/19/544940419.db2.gz NYJCTZBDTGTILG-ZYHUDNBSSA-N 2 1 276.340 0.648 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000333842519 545043687 /nfs/dbraw/zinc/04/36/87/545043687.db2.gz ONRCNYXPUCODSZ-AVGNSLFASA-N 2 1 291.399 0.885 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000333481119 545039678 /nfs/dbraw/zinc/03/96/78/545039678.db2.gz CCFLEOLBASJLEY-GMXVVIOVSA-N 2 1 272.368 0.470 10 0 CCAEMP C[C@@]1(C[N@H+]2CC[C@H](N3CCOCC3)C2)CC[NH2+]C1 ZINC000110371507 278122103 /nfs/dbraw/zinc/12/21/03/278122103.db2.gz XIUIIPKTTBDNAN-UONOGXRCSA-N 2 1 253.390 0.393 10 0 CCAEMP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000251441193 279159219 /nfs/dbraw/zinc/15/92/19/279159219.db2.gz VHYOXMAVGXYYJO-RBSFLKMASA-N 2 1 297.443 0.977 10 0 CCAEMP CC[C@@H](C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247169189 280106000 /nfs/dbraw/zinc/10/60/00/280106000.db2.gz MUOFIFGBHXCAOB-KGLIPLIRSA-N 2 1 299.459 0.926 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000384256572 336123035 /nfs/dbraw/zinc/12/30/35/336123035.db2.gz OLXZQZSNKITPKA-KGLIPLIRSA-N 2 1 283.416 0.555 10 0 CCAEMP CC[NH2+][C@H](CC[N@@H+]1CCC[C@H](OCC)C1)C(N)=O ZINC000062527231 520190037 /nfs/dbraw/zinc/19/00/37/520190037.db2.gz OAFBKGQAWBZHGA-NWDGAFQWSA-N 2 1 257.378 0.341 10 0 CCAEMP CC[NH2+][C@H](CC[N@H+]1CCC[C@H](OCC)C1)C(N)=O ZINC000062527231 520190041 /nfs/dbraw/zinc/19/00/41/520190041.db2.gz OAFBKGQAWBZHGA-NWDGAFQWSA-N 2 1 257.378 0.341 10 0 CCAEMP CCOC(=O)[C@H]([NH3+])CCN1CCC([NH+](C)C)CC1 ZINC000062449392 521257450 /nfs/dbraw/zinc/25/74/50/521257450.db2.gz KMSOCZNDOVHSKX-GFCCVEGCSA-N 2 1 257.378 0.293 10 0 CCAEMP CCC[N@H+](CCN(C)C)CCn1cc(C[NH3+])nn1 ZINC000052544214 521656499 /nfs/dbraw/zinc/65/64/99/521656499.db2.gz QXCASLFSGPEXPG-UHFFFAOYSA-N 2 1 254.382 0.010 10 0 CCAEMP CCC[N@@H+](CCN(C)C)CCn1cc(C[NH3+])nn1 ZINC000052544214 521656500 /nfs/dbraw/zinc/65/65/00/521656500.db2.gz QXCASLFSGPEXPG-UHFFFAOYSA-N 2 1 254.382 0.010 10 0 CCAEMP COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557583 523356324 /nfs/dbraw/zinc/35/63/24/523356324.db2.gz PWDADPWBYLWGHM-RYUDHWBXSA-N 2 1 259.394 0.457 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263227138 535725171 /nfs/dbraw/zinc/72/51/71/535725171.db2.gz MYGPDMIFZGBYBR-OCCSQVGLSA-N 2 1 250.342 0.755 10 0 CCAEMP C[NH2+][C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1cnn(C)c1 ZINC000262356914 536336287 /nfs/dbraw/zinc/33/62/87/536336287.db2.gz JUJNCEUQRXQPKL-CHWSQXEVSA-N 2 1 279.388 0.137 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@@H]2CCOC2=O)CC1 ZINC000120474559 645348839 /nfs/dbraw/zinc/34/88/39/645348839.db2.gz XCFDVAKFBLTFCY-UKRRQHHQSA-N 2 1 298.427 0.964 10 0 CCAEMP [NH3+]C1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667908 649709098 /nfs/dbraw/zinc/70/90/98/649709098.db2.gz PYLYXKNEUBUWOD-NWINJMCUSA-N 2 1 281.400 0.483 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105174476 349721699 /nfs/dbraw/zinc/72/16/99/349721699.db2.gz ONDONLHCKSROFE-CHWSQXEVSA-N 2 1 284.404 0.101 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116796766 349873206 /nfs/dbraw/zinc/87/32/06/349873206.db2.gz BCAUECRCKDPJNU-LBPRGKRZSA-N 2 1 257.378 0.116 10 0 CCAEMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000261541376 137007369 /nfs/dbraw/zinc/00/73/69/137007369.db2.gz FSDBDZURPFJBRS-ZFWWWQNUSA-N 2 1 291.395 0.612 10 0 CCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000261541376 137007370 /nfs/dbraw/zinc/00/73/70/137007370.db2.gz FSDBDZURPFJBRS-ZFWWWQNUSA-N 2 1 291.395 0.612 10 0 CCAEMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262462797 137044324 /nfs/dbraw/zinc/04/43/24/137044324.db2.gz XJWCACMDFBTWHB-YPMHNXCESA-N 2 1 253.390 0.962 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1scnc1C1CC1 ZINC000263177675 137059660 /nfs/dbraw/zinc/05/96/60/137059660.db2.gz GIMLXTTXBONUCL-UWVGGRQHSA-N 2 1 253.371 0.690 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000263122496 137058863 /nfs/dbraw/zinc/05/88/63/137058863.db2.gz BBJTWORZCDWLBF-JQWIXIFHSA-N 2 1 278.381 0.808 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000263222131 137060918 /nfs/dbraw/zinc/06/09/18/137060918.db2.gz MASYJJDPUFFVDN-CMPLNLGQSA-N 2 1 292.408 0.943 10 0 CCAEMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263222094 137060930 /nfs/dbraw/zinc/06/09/30/137060930.db2.gz MAFSFOPASKEEAI-BBRMVZONSA-N 2 1 286.379 0.851 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054307499 348549448 /nfs/dbraw/zinc/54/94/48/348549448.db2.gz XNMBBGGJRBXMKW-OLZOCXBDSA-N 2 1 265.401 0.977 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000054309014 348549515 /nfs/dbraw/zinc/54/95/15/348549515.db2.gz HFTSXYXDUAXLAB-NEPJUHHUSA-N 2 1 251.374 0.729 10 0 CCAEMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088357671 349361052 /nfs/dbraw/zinc/36/10/52/349361052.db2.gz WJPNOFCMFREXNI-CHWSQXEVSA-N 2 1 271.405 0.602 10 0 CCAEMP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)C[NH+]1CCCCC1 ZINC000088371247 349364000 /nfs/dbraw/zinc/36/40/00/349364000.db2.gz PJRYWNKZUQGZPC-CHWSQXEVSA-N 2 1 269.389 0.213 10 0 CCAEMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000091409022 180148082 /nfs/dbraw/zinc/14/80/82/180148082.db2.gz CIAQCEREVIXFRC-OAHLLOKOSA-N 2 1 273.380 0.987 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136206055 350418977 /nfs/dbraw/zinc/41/89/77/350418977.db2.gz VAEQQYPOUHDNFB-TZMCWYRMSA-N 2 1 253.390 0.977 10 0 CCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)C3(C[NH3+])CCOCC3)CC[C@@H]21 ZINC000166578744 350799314 /nfs/dbraw/zinc/79/93/14/350799314.db2.gz XUYHMXGLZVSZFY-KBPBESRZSA-N 2 1 295.427 0.685 10 0 CCAEMP CC[C@@H](C)NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333768635 354790672 /nfs/dbraw/zinc/79/06/72/354790672.db2.gz DXYCYWVKCMERRG-MCIONIFRSA-N 2 1 295.427 0.602 10 0 CCAEMP C[C@@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CCCC[NH2+]1 ZINC000336221646 213048485 /nfs/dbraw/zinc/04/84/85/213048485.db2.gz AMEGOKFOQBJJQB-OLZOCXBDSA-N 2 1 257.353 0.679 10 0 CCAEMP C[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631837224 370702054 /nfs/dbraw/zinc/70/20/54/370702054.db2.gz PHJPFQCQPRGZLZ-QWRGUYRKSA-N 2 1 260.403 0.338 10 0 CCAEMP C[C@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631837224 370702055 /nfs/dbraw/zinc/70/20/55/370702055.db2.gz PHJPFQCQPRGZLZ-QWRGUYRKSA-N 2 1 260.403 0.338 10 0 CCAEMP Cc1csc(=O)n1CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842466 370708668 /nfs/dbraw/zinc/70/86/68/370708668.db2.gz ATQSNXITYAZSCX-GXSJLCMTSA-N 2 1 255.387 0.745 10 0 CCAEMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000638979759 375493844 /nfs/dbraw/zinc/49/38/44/375493844.db2.gz HULXGAGEBWUHMJ-OLZOCXBDSA-N 2 1 283.416 0.696 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+](C)C ZINC000247118810 285042990 /nfs/dbraw/zinc/04/29/90/285042990.db2.gz UJEYXHPPEXYYDZ-FRRDWIJNSA-N 2 1 271.405 0.240 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+](C)C ZINC000247118810 285042991 /nfs/dbraw/zinc/04/29/91/285042991.db2.gz UJEYXHPPEXYYDZ-FRRDWIJNSA-N 2 1 271.405 0.240 10 0 CCAEMP COC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171973333 285244678 /nfs/dbraw/zinc/24/46/78/285244678.db2.gz HZXOUMMLAPJJPB-JSGCOSHPSA-N 2 1 274.405 0.018 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000335284714 285265761 /nfs/dbraw/zinc/26/57/61/285265761.db2.gz AMJRTUMVCVDPFW-RYUDHWBXSA-N 2 1 254.378 0.603 10 0 CCAEMP C[N@@H+]1CCN(C(=O)C2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000090035375 389019148 /nfs/dbraw/zinc/01/91/48/389019148.db2.gz ALALHPRIJMYYPF-CQSZACIVSA-N 2 1 259.353 0.721 10 0 CCAEMP C[N@H+]1CCN(C(=O)C2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000090035375 389019153 /nfs/dbraw/zinc/01/91/53/389019153.db2.gz ALALHPRIJMYYPF-CQSZACIVSA-N 2 1 259.353 0.721 10 0 CCAEMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)CC(C)C ZINC000236881504 389175830 /nfs/dbraw/zinc/17/58/30/389175830.db2.gz HHTOLVAXCMPDER-KBPBESRZSA-N 2 1 285.432 0.848 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[N@H+](C3CC3)CC2)C1 ZINC000246522083 389229495 /nfs/dbraw/zinc/22/94/95/389229495.db2.gz RGUDFTLXOPHCRQ-VXGBXAGGSA-N 2 1 251.374 0.811 10 0 CCAEMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@@H]1[NH3+] ZINC000333687380 389440585 /nfs/dbraw/zinc/44/05/85/389440585.db2.gz CFEGHCSIPFKOPO-BNOWGMLFSA-N 2 1 280.416 0.992 10 0 CCAEMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000335120206 389538065 /nfs/dbraw/zinc/53/80/65/389538065.db2.gz UBKMGIAVPQHVEQ-MNOVXSKESA-N 2 1 273.327 0.538 10 0 CCAEMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000335120206 389538070 /nfs/dbraw/zinc/53/80/70/389538070.db2.gz UBKMGIAVPQHVEQ-MNOVXSKESA-N 2 1 273.327 0.538 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1CNc1cc[nH+]cc1Br ZINC000420233921 389969670 /nfs/dbraw/zinc/96/96/70/389969670.db2.gz CBGWRWDFSKKLAZ-XVKPBYJWSA-N 2 1 272.146 0.258 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392816901 397513620 /nfs/dbraw/zinc/51/36/20/397513620.db2.gz MRXGOEZSUADRHK-QWHCGFSZSA-N 2 1 251.374 0.753 10 0 CCAEMP O=C([C@@H]1CCC[NH2+]C1)N1CCC[N@H+](C2CC2)CC1 ZINC000178746944 304332351 /nfs/dbraw/zinc/33/23/51/304332351.db2.gz MSMMNVYPAGEAFL-GFCCVEGCSA-N 2 1 251.374 0.683 10 0 CCAEMP [NH3+]C1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044726787 411633344 /nfs/dbraw/zinc/63/33/44/411633344.db2.gz INVJOBHFDCNAIJ-HTAVTVPLSA-N 2 1 251.374 0.857 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000310945214 411747663 /nfs/dbraw/zinc/74/76/63/411747663.db2.gz XQKGUKPBLVRMBC-KGLIPLIRSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310945214 411747667 /nfs/dbraw/zinc/74/76/67/411747667.db2.gz XQKGUKPBLVRMBC-KGLIPLIRSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000310945214 411747671 /nfs/dbraw/zinc/74/76/71/411747671.db2.gz XQKGUKPBLVRMBC-KGLIPLIRSA-N 2 1 255.406 0.468 10 0 CCAEMP CC[NH+]1CCC(C[NH3+])(N2CCC[N@@H+](C)CC2)CC1 ZINC000020217748 171080086 /nfs/dbraw/zinc/08/00/86/171080086.db2.gz LGTZYHOYOROMOB-UHFFFAOYSA-N 3 1 254.422 0.437 10 0 CCAEMP CCC[N@H+](CC(=O)N1CCCC1=O)C1CC[NH2+]CC1 ZINC000037539070 173260441 /nfs/dbraw/zinc/26/04/41/173260441.db2.gz VVQFCRLBKJLXMI-UHFFFAOYSA-N 2 1 267.373 0.599 10 0 CCAEMP CCC[N@@H+](CC(=O)N1CCCC1=O)C1CC[NH2+]CC1 ZINC000037539070 173260442 /nfs/dbraw/zinc/26/04/42/173260442.db2.gz VVQFCRLBKJLXMI-UHFFFAOYSA-N 2 1 267.373 0.599 10 0 CCAEMP CCN1C(=O)C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000038042092 174044780 /nfs/dbraw/zinc/04/47/80/174044780.db2.gz MMJWKYSFICLJRU-CHWSQXEVSA-N 2 1 281.400 0.845 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662854829 414845585 /nfs/dbraw/zinc/84/55/85/414845585.db2.gz VGFRELLWKLFPCH-GFCCVEGCSA-N 2 1 283.416 0.731 10 0 CCAEMP CC[N@H+]1CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000044494109 175181365 /nfs/dbraw/zinc/18/13/65/175181365.db2.gz OZISURGCMHSDQW-UHFFFAOYSA-N 2 1 252.387 0.931 10 0 CCAEMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCc1ccc2c(c1)OCO2 ZINC000045167202 175319396 /nfs/dbraw/zinc/31/93/96/175319396.db2.gz JFEUDMJFRJWKQF-UHFFFAOYSA-N 2 1 291.311 0.528 10 0 CCAEMP C[N@@H+](CCCn1ccc(N)n1)C[C@H]1CC[NH+](C)C1 ZINC000071352571 176135743 /nfs/dbraw/zinc/13/57/43/176135743.db2.gz AJPMJOBKPDHUAK-GFCCVEGCSA-N 2 1 251.378 0.739 10 0 CCAEMP C[NH+](CCCn1ccc(N)n1)C[C@H]1CC[N@H+](C)C1 ZINC000071352571 176135745 /nfs/dbraw/zinc/13/57/45/176135745.db2.gz AJPMJOBKPDHUAK-GFCCVEGCSA-N 2 1 251.378 0.739 10 0 CCAEMP C[NH+](CCCn1ccc(N)n1)C[C@H]1CC[N@@H+](C)C1 ZINC000071352571 176135747 /nfs/dbraw/zinc/13/57/47/176135747.db2.gz AJPMJOBKPDHUAK-GFCCVEGCSA-N 2 1 251.378 0.739 10 0 CCAEMP C[NH+](C)CCCNc1nccc(N2CC[NH+](C)CC2)n1 ZINC000072105135 176316648 /nfs/dbraw/zinc/31/66/48/176316648.db2.gz KWQGUHYJRYAPHM-UHFFFAOYSA-N 2 1 278.404 0.592 10 0 CCAEMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC000072411617 176398837 /nfs/dbraw/zinc/39/88/37/176398837.db2.gz UJJTTZYEDLSZCP-AWEZNQCLSA-N 3 1 266.389 0.711 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000227432452 544835173 /nfs/dbraw/zinc/83/51/73/544835173.db2.gz HNBFCYVOBBSNIN-NWDGAFQWSA-N 2 1 271.430 0.526 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000235303232 544874558 /nfs/dbraw/zinc/87/45/58/544874558.db2.gz LTTZUSAXSYSJKS-YVECIDJPSA-N 2 1 251.374 0.585 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000249978538 544921384 /nfs/dbraw/zinc/92/13/84/544921384.db2.gz KEULMXKAVVUUQI-NWDGAFQWSA-N 2 1 257.378 0.056 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000250683946 544923906 /nfs/dbraw/zinc/92/39/06/544923906.db2.gz ZQTUTGCBQODRMA-ZNMIVQPWSA-N 2 1 295.427 0.685 10 0 CCAEMP COCc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262132637 544940323 /nfs/dbraw/zinc/94/03/23/544940323.db2.gz OFUVGFGMZYHLOF-UONOGXRCSA-N 2 1 250.342 0.503 10 0 CCAEMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N3CCOCC3)C2)CC[NH2+]1 ZINC000300137434 544979061 /nfs/dbraw/zinc/97/90/61/544979061.db2.gz IUCFWYKYTUZMOO-KFWWJZLASA-N 2 1 267.417 0.781 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000335946739 277062582 /nfs/dbraw/zinc/06/25/82/277062582.db2.gz LCQACSBRXICTJN-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335946739 277062583 /nfs/dbraw/zinc/06/25/83/277062583.db2.gz LCQACSBRXICTJN-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335946739 277062584 /nfs/dbraw/zinc/06/25/84/277062584.db2.gz LCQACSBRXICTJN-KGLIPLIRSA-N 2 1 280.416 0.960 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc[nH]2)CC1 ZINC000171929633 278395733 /nfs/dbraw/zinc/39/57/33/278395733.db2.gz KJVLUAZFMMJXIG-GFCCVEGCSA-N 2 1 266.389 0.934 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc[nH]2)CC1 ZINC000171929633 278395735 /nfs/dbraw/zinc/39/57/35/278395735.db2.gz KJVLUAZFMMJXIG-GFCCVEGCSA-N 2 1 266.389 0.934 10 0 CCAEMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000236901467 279123870 /nfs/dbraw/zinc/12/38/70/279123870.db2.gz GARQZUBMXLKJGE-QWHCGFSZSA-N 2 1 269.389 0.165 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247239254 279332608 /nfs/dbraw/zinc/33/26/08/279332608.db2.gz XSCFMUJHPVSMIJ-KBPBESRZSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247239254 279332609 /nfs/dbraw/zinc/33/26/09/279332609.db2.gz XSCFMUJHPVSMIJ-KBPBESRZSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247239254 279332610 /nfs/dbraw/zinc/33/26/10/279332610.db2.gz XSCFMUJHPVSMIJ-KBPBESRZSA-N 2 1 280.416 0.960 10 0 CCAEMP CC(C)C[N@@H+](CC(N)=O)Cc1cccnc1C[NH3+] ZINC000061656846 519714342 /nfs/dbraw/zinc/71/43/42/519714342.db2.gz GRJBMBSSQSMHKM-UHFFFAOYSA-N 2 1 250.346 0.484 10 0 CCAEMP CCC[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000061712116 519911243 /nfs/dbraw/zinc/91/12/43/519911243.db2.gz TXMYEHCSBSQEMW-ZDUSSCGKSA-N 2 1 256.390 0.849 10 0 CCAEMP CCN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263184949 535764141 /nfs/dbraw/zinc/76/41/41/535764141.db2.gz HEPICUSHYZIBNZ-QWHCGFSZSA-N 2 1 264.373 0.208 10 0 CCAEMP CC(C)C[N@H+](CC(N)=O)Cc1cccnc1C[NH3+] ZINC000061656846 519714340 /nfs/dbraw/zinc/71/43/40/519714340.db2.gz GRJBMBSSQSMHKM-UHFFFAOYSA-N 2 1 250.346 0.484 10 0 CCAEMP C[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C[C@@H]1[NH3+] ZINC000055124305 524330980 /nfs/dbraw/zinc/33/09/80/524330980.db2.gz CRTHAGSQIIBKNO-XQQFMLRXSA-N 2 1 253.390 0.914 10 0 CCAEMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CN1CCOCC1 ZINC000049504524 527432021 /nfs/dbraw/zinc/43/20/21/527432021.db2.gz ZDNNIBXSWHHUPU-LBPRGKRZSA-N 2 1 252.362 0.502 10 0 CCAEMP C[C@@H](CCCCO)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000398407026 581188204 /nfs/dbraw/zinc/18/82/04/581188204.db2.gz AACMSDGFQGZBQE-KBPBESRZSA-N 2 1 258.406 0.974 10 0 CCAEMP COCCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845991 349725529 /nfs/dbraw/zinc/72/55/29/349725529.db2.gz DVTXBAZBUCMNKG-MRXNPFEDSA-N 2 1 299.459 0.750 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc(OC)c1 ZINC000262168686 137029212 /nfs/dbraw/zinc/02/92/12/137029212.db2.gz UVEMXZSRDZPXAD-BXUZGUMPSA-N 2 1 266.341 0.374 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc(OC)c1 ZINC000262168691 137029285 /nfs/dbraw/zinc/02/92/85/137029285.db2.gz UVEMXZSRDZPXAD-RISCZKNCSA-N 2 1 266.341 0.374 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262298273 137035955 /nfs/dbraw/zinc/03/59/55/137035955.db2.gz PIZNMPJQQNQXBN-YUELXQCFSA-N 2 1 295.427 0.744 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262298273 137035956 /nfs/dbraw/zinc/03/59/56/137035956.db2.gz PIZNMPJQQNQXBN-YUELXQCFSA-N 2 1 295.427 0.744 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000263290089 137063118 /nfs/dbraw/zinc/06/31/18/137063118.db2.gz VNOJAEKADGQRQY-DOMZBBRYSA-N 2 1 272.352 0.542 10 0 CCAEMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263223082 137060823 /nfs/dbraw/zinc/06/08/23/137060823.db2.gz MGKXYUALNBEKDY-ONGXEEELSA-N 2 1 252.362 0.377 10 0 CCAEMP COCCOc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263222148 137061027 /nfs/dbraw/zinc/06/10/27/137061027.db2.gz MBEXHPFENDVFDY-DZGCQCFKSA-N 2 1 280.368 0.382 10 0 CCAEMP NC(=O)c1ccccc1N1CC[NH+](CCC[NH3+])CC1 ZINC000034398858 348149940 /nfs/dbraw/zinc/14/99/40/348149940.db2.gz YVHHJXWVNNBHDX-UHFFFAOYSA-N 2 1 262.357 0.256 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000130298300 350234411 /nfs/dbraw/zinc/23/44/11/350234411.db2.gz UBQKFNTYNHJVAD-BZPMIXESSA-N 2 1 280.416 0.957 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)CCN2CCOCC2)C1 ZINC000105174349 186045124 /nfs/dbraw/zinc/04/51/24/186045124.db2.gz GQRLNADJBQITPU-AWEZNQCLSA-N 2 1 298.431 0.444 10 0 CCAEMP [NH3+]CCC[NH2+]CCCC[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC000144051716 350461616 /nfs/dbraw/zinc/46/16/16/350461616.db2.gz LQBYSJFBWUOZIS-UHFFFAOYSA-N 2 1 298.353 0.363 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@@H+]1CCOC ZINC000154654542 350595701 /nfs/dbraw/zinc/59/57/01/350595701.db2.gz JDTGJILFTGHTEH-CYBMUJFWSA-N 2 1 269.389 0.308 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@H+]1CCOC ZINC000154654542 350595703 /nfs/dbraw/zinc/59/57/03/350595703.db2.gz JDTGJILFTGHTEH-CYBMUJFWSA-N 2 1 269.389 0.308 10 0 CCAEMP CCC[C@@H](C(=O)NCC[N@@H+](C)CCOC)[NH+](C)C ZINC000161958855 350732162 /nfs/dbraw/zinc/73/21/62/350732162.db2.gz WIDORXOHLZMGSK-LBPRGKRZSA-N 2 1 259.394 0.411 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCCCCC[NH3+])cn1 ZINC000181413706 351318436 /nfs/dbraw/zinc/31/84/36/351318436.db2.gz DHZDBRPGGJCPHA-AWEZNQCLSA-N 2 1 293.415 0.802 10 0 CCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(C)C(=O)C2)CC1 ZINC000192842549 351801387 /nfs/dbraw/zinc/80/13/87/351801387.db2.gz CYIVDQGLGOOLQD-UHFFFAOYSA-N 2 1 296.459 0.567 10 0 CCAEMP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245431109 352322939 /nfs/dbraw/zinc/32/29/39/352322939.db2.gz NXCKILWJQAKNQI-ZIAGYGMSSA-N 2 1 282.432 0.352 10 0 CCAEMP CC[C@H](C(N)=O)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245431109 352322941 /nfs/dbraw/zinc/32/29/41/352322941.db2.gz NXCKILWJQAKNQI-ZIAGYGMSSA-N 2 1 282.432 0.352 10 0 CCAEMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](C)CC1 ZINC000246023026 352344748 /nfs/dbraw/zinc/34/47/48/352344748.db2.gz LOWIVGIDFPKIHY-CABCVRRESA-N 2 1 294.443 0.319 10 0 CCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](C)CC1 ZINC000246023026 352344754 /nfs/dbraw/zinc/34/47/54/352344754.db2.gz LOWIVGIDFPKIHY-CABCVRRESA-N 2 1 294.443 0.319 10 0 CCAEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CN3CCCC3=O)CC[C@H]21 ZINC000248163796 352432175 /nfs/dbraw/zinc/43/21/75/352432175.db2.gz SPCUJQYHEMZSPM-RBSFLKMASA-N 2 1 295.427 0.386 10 0 CCAEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CN3CCCC3=O)CC[C@H]21 ZINC000248163796 352432179 /nfs/dbraw/zinc/43/21/79/352432179.db2.gz SPCUJQYHEMZSPM-RBSFLKMASA-N 2 1 295.427 0.386 10 0 CCAEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CN3CCCC3=O)CC[C@H]21 ZINC000248163796 352432182 /nfs/dbraw/zinc/43/21/82/352432182.db2.gz SPCUJQYHEMZSPM-RBSFLKMASA-N 2 1 295.427 0.386 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000251833283 352511966 /nfs/dbraw/zinc/51/19/66/352511966.db2.gz PSNCRBOWNGNBOK-AGIUHOORSA-N 2 1 251.374 0.824 10 0 CCAEMP COc1cc(C)[nH+]c(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404207320 357818233 /nfs/dbraw/zinc/81/82/33/357818233.db2.gz SVVCDDRDUOSGCP-LSDHHAIUSA-N 2 1 277.368 0.961 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2ccnc2)CC1 ZINC000161681080 296181821 /nfs/dbraw/zinc/18/18/21/296181821.db2.gz QFTSROUKHRRJOF-CQSZACIVSA-N 2 1 280.416 0.908 10 0 CCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000333379086 205270485 /nfs/dbraw/zinc/27/04/85/205270485.db2.gz NIBVPSOWXXWAHB-KGLIPLIRSA-N 2 1 298.431 0.476 10 0 CCAEMP C[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)[C@@H](C)O1 ZINC000333462674 205341031 /nfs/dbraw/zinc/34/10/31/205341031.db2.gz GUURNUMZVMKQMA-CKYFFXLPSA-N 2 1 279.388 0.927 10 0 CCAEMP O=C(CCC1C[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000638086660 374647290 /nfs/dbraw/zinc/64/72/90/374647290.db2.gz IHAUOEKSGMPQIP-CYBMUJFWSA-N 2 1 251.374 0.683 10 0 CCAEMP C[C@]1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[NH2+]CCO1 ZINC000638087200 374647324 /nfs/dbraw/zinc/64/73/24/374647324.db2.gz OWDUGPPPNRDUHB-GXTWGEPZSA-N 2 1 267.373 0.062 10 0 CCAEMP C[C@]1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[NH2+]CCO1 ZINC000638087200 374647331 /nfs/dbraw/zinc/64/73/31/374647331.db2.gz OWDUGPPPNRDUHB-GXTWGEPZSA-N 2 1 267.373 0.062 10 0 CCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638301886 374906960 /nfs/dbraw/zinc/90/69/60/374906960.db2.gz NLDSYMIZUXFHNE-AEGPPILISA-N 2 1 291.395 0.739 10 0 CCAEMP C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000334949537 207341228 /nfs/dbraw/zinc/34/12/28/207341228.db2.gz UQRDUIZRJKTHGZ-VXGBXAGGSA-N 2 1 266.389 0.640 10 0 CCAEMP COCC[N@@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@@H]1C ZINC000262402444 285043975 /nfs/dbraw/zinc/04/39/75/285043975.db2.gz PPTKTJIDGKZPIB-RYUDHWBXSA-N 2 1 269.389 0.021 10 0 CCAEMP COCC[N@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@@H]1C ZINC000262402444 285043980 /nfs/dbraw/zinc/04/39/80/285043980.db2.gz PPTKTJIDGKZPIB-RYUDHWBXSA-N 2 1 269.389 0.021 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000335285719 208104061 /nfs/dbraw/zinc/10/40/61/208104061.db2.gz RTXIUCTZSKTIBZ-VXGBXAGGSA-N 2 1 254.378 0.474 10 0 CCAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251830114 285149941 /nfs/dbraw/zinc/14/99/41/285149941.db2.gz PLVDYYUQKUDLMA-VOAKCMCISA-N 2 1 251.374 0.680 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H](O)C[NH+](C)C1CC1 ZINC000311688561 285240143 /nfs/dbraw/zinc/24/01/43/285240143.db2.gz KIWWWDQFVBXETR-CABCVRRESA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000311688561 285240144 /nfs/dbraw/zinc/24/01/44/285240144.db2.gz KIWWWDQFVBXETR-CABCVRRESA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311688561 285240145 /nfs/dbraw/zinc/24/01/45/285240145.db2.gz KIWWWDQFVBXETR-CABCVRRESA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC2CC2)CC1 ZINC000105862468 389088409 /nfs/dbraw/zinc/08/84/09/389088409.db2.gz WTSIKJDPEDYHMP-ZDUSSCGKSA-N 2 1 297.443 0.537 10 0 CCAEMP CCC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)[NH+](C)C ZINC000120872567 389145212 /nfs/dbraw/zinc/14/52/12/389145212.db2.gz YILFRGJIIYPGDK-MGPQQGTHSA-N 2 1 285.432 0.630 10 0 CCAEMP CCC[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)[NH+](C)C ZINC000120872567 389145215 /nfs/dbraw/zinc/14/52/15/389145215.db2.gz YILFRGJIIYPGDK-MGPQQGTHSA-N 2 1 285.432 0.630 10 0 CCAEMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904655 389099878 /nfs/dbraw/zinc/09/98/78/389099878.db2.gz CWOWVMRDUZHDLM-ZIAGYGMSSA-N 2 1 256.390 0.678 10 0 CCAEMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904655 389099881 /nfs/dbraw/zinc/09/98/81/389099881.db2.gz CWOWVMRDUZHDLM-ZIAGYGMSSA-N 2 1 256.390 0.678 10 0 CCAEMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904655 389099885 /nfs/dbraw/zinc/09/98/85/389099885.db2.gz CWOWVMRDUZHDLM-ZIAGYGMSSA-N 2 1 256.390 0.678 10 0 CCAEMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904655 389099887 /nfs/dbraw/zinc/09/98/87/389099887.db2.gz CWOWVMRDUZHDLM-ZIAGYGMSSA-N 2 1 256.390 0.678 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000252560720 389265432 /nfs/dbraw/zinc/26/54/32/389265432.db2.gz VVXYXFDLVXFOGA-DGAVXFQQSA-N 2 1 281.400 0.483 10 0 CCAEMP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1 ZINC000263199759 389297914 /nfs/dbraw/zinc/29/79/14/389297914.db2.gz IVSMVSOSNZSQLE-YPMHNXCESA-N 2 1 265.357 0.377 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000332861406 389383299 /nfs/dbraw/zinc/38/32/99/389383299.db2.gz FTZKQHUHQOCZBW-HZSPNIEDSA-N 2 1 298.431 0.177 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000332861406 389383303 /nfs/dbraw/zinc/38/33/03/389383303.db2.gz FTZKQHUHQOCZBW-HZSPNIEDSA-N 2 1 298.431 0.177 10 0 CCAEMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000332861406 389383309 /nfs/dbraw/zinc/38/33/09/389383309.db2.gz FTZKQHUHQOCZBW-HZSPNIEDSA-N 2 1 298.431 0.177 10 0 CCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000335284256 389544393 /nfs/dbraw/zinc/54/43/93/389544393.db2.gz FBUOHTHQUKYIQC-JQWIXIFHSA-N 2 1 252.362 0.084 10 0 CCAEMP CN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000335287587 389545795 /nfs/dbraw/zinc/54/57/95/389545795.db2.gz KAUHRDZYPCYFAF-RYUDHWBXSA-N 2 1 252.362 0.226 10 0 CCAEMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000335839728 389611922 /nfs/dbraw/zinc/61/19/22/389611922.db2.gz XRDUFFAFKXTVAW-OLZOCXBDSA-N 2 1 251.374 0.777 10 0 CCAEMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000335839728 389611923 /nfs/dbraw/zinc/61/19/23/389611923.db2.gz XRDUFFAFKXTVAW-OLZOCXBDSA-N 2 1 251.374 0.777 10 0 CCAEMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000335839728 389611925 /nfs/dbraw/zinc/61/19/25/389611925.db2.gz XRDUFFAFKXTVAW-OLZOCXBDSA-N 2 1 251.374 0.777 10 0 CCAEMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000335839728 389611927 /nfs/dbraw/zinc/61/19/27/389611927.db2.gz XRDUFFAFKXTVAW-OLZOCXBDSA-N 2 1 251.374 0.777 10 0 CCAEMP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747062 389619861 /nfs/dbraw/zinc/61/98/61/389619861.db2.gz ORNJNBGKNSDISV-STQMWFEESA-N 2 1 251.374 0.811 10 0 CCAEMP CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000579355004 390164811 /nfs/dbraw/zinc/16/48/11/390164811.db2.gz SZGPYNALZREWBV-SDDRHHMPSA-N 2 1 272.414 0.480 10 0 CCAEMP CS(=O)(=O)CC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000579355004 390164812 /nfs/dbraw/zinc/16/48/12/390164812.db2.gz SZGPYNALZREWBV-SDDRHHMPSA-N 2 1 272.414 0.480 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649328383 390586549 /nfs/dbraw/zinc/58/65/49/390586549.db2.gz UYPIRBNIXNSZGH-DZGCQCFKSA-N 2 1 283.416 0.698 10 0 CCAEMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000649304877 390563951 /nfs/dbraw/zinc/56/39/51/390563951.db2.gz KVNMEQZDTPUUJP-DZGCQCFKSA-N 2 1 283.416 0.602 10 0 CCAEMP COC[C@]1(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CCC[NH2+]1 ZINC000649335217 390591662 /nfs/dbraw/zinc/59/16/62/390591662.db2.gz LYZFSLHVPYGLKJ-IPYPFGDCSA-N 2 1 281.400 0.450 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000116278158 287086610 /nfs/dbraw/zinc/08/66/10/287086610.db2.gz JDNHYBDYOJKKDM-TZMCWYRMSA-N 2 1 283.416 0.242 10 0 CCAEMP COc1ccc([C@H](C[NH3+])N2CC[NH+](CCO)CC2)cc1 ZINC000020225847 171090331 /nfs/dbraw/zinc/09/03/31/171090331.db2.gz IDSTXZJNRCANEL-HNNXBMFYSA-N 2 1 279.384 0.305 10 0 CCAEMP COCCNC(=O)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020358547 171157508 /nfs/dbraw/zinc/15/75/08/171157508.db2.gz RZDWRRPGJIVMHG-KBPBESRZSA-N 2 1 285.432 0.992 10 0 CCAEMP COCCNC(=O)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020358547 171157512 /nfs/dbraw/zinc/15/75/12/171157512.db2.gz RZDWRRPGJIVMHG-KBPBESRZSA-N 2 1 285.432 0.992 10 0 CCAEMP CCOCCCNC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042935 174047880 /nfs/dbraw/zinc/04/78/80/174047880.db2.gz ALQJLHZWUDACTK-CQSZACIVSA-N 2 1 283.416 0.746 10 0 CCAEMP CCOCCCNC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042935 174047884 /nfs/dbraw/zinc/04/78/84/174047884.db2.gz ALQJLHZWUDACTK-CQSZACIVSA-N 2 1 283.416 0.746 10 0 CCAEMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000089457984 544514412 /nfs/dbraw/zinc/51/44/12/544514412.db2.gz FQPWSFKOKKFDIB-YPMHNXCESA-N 2 1 251.374 0.668 10 0 CCAEMP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000089746424 544516982 /nfs/dbraw/zinc/51/69/82/544516982.db2.gz ZNPCZPLHICWPJW-LSDHHAIUSA-N 2 1 296.459 0.374 10 0 CCAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000136375641 544638611 /nfs/dbraw/zinc/63/86/11/544638611.db2.gz OBACBFAMZHAIKC-KBPBESRZSA-N 2 1 283.416 0.683 10 0 CCAEMP CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@@H+]1CCOC ZINC000178776806 544748916 /nfs/dbraw/zinc/74/89/16/544748916.db2.gz GGECZNPYRMIPCQ-ZDUSSCGKSA-N 2 1 283.416 0.827 10 0 CCAEMP CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@H+]1CCOC ZINC000178776806 544748920 /nfs/dbraw/zinc/74/89/20/544748920.db2.gz GGECZNPYRMIPCQ-ZDUSSCGKSA-N 2 1 283.416 0.827 10 0 CCAEMP CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000227432979 544834969 /nfs/dbraw/zinc/83/49/69/544834969.db2.gz ITDDRSFSWBKBLJ-YPMHNXCESA-N 2 1 253.390 0.962 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000250179112 544922277 /nfs/dbraw/zinc/92/22/77/544922277.db2.gz TVYOMKVAMMRXTI-UONOGXRCSA-N 2 1 283.416 0.542 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000250684260 544923992 /nfs/dbraw/zinc/92/39/92/544923992.db2.gz ZVTFSISSSKIHTN-GVXVVHGQSA-N 2 1 251.374 0.714 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000261712827 544936498 /nfs/dbraw/zinc/93/64/98/544936498.db2.gz JJXIRRLIHARYBN-RWMBFGLXSA-N 2 1 251.374 0.811 10 0 CCAEMP CC(C)(C)n1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000262075761 544938872 /nfs/dbraw/zinc/93/88/72/544938872.db2.gz DGDRXSCHONECGS-RYUDHWBXSA-N 2 1 252.362 0.308 10 0 CCAEMP CCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262127974 544940925 /nfs/dbraw/zinc/94/09/25/544940925.db2.gz NIVKAGINWVEMHD-STQMWFEESA-N 2 1 250.342 0.755 10 0 CCAEMP CC(C)n1ncc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cnc21 ZINC000262146938 544942430 /nfs/dbraw/zinc/94/24/30/544942430.db2.gz QNDXARXZXPOPLA-UONOGXRCSA-N 2 1 289.383 0.682 10 0 CCAEMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000102000348 279198952 /nfs/dbraw/zinc/19/89/52/279198952.db2.gz WAGFNYPPUXFZKD-ZDUSSCGKSA-N 2 1 268.405 0.864 10 0 CCAEMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000102000348 279198954 /nfs/dbraw/zinc/19/89/54/279198954.db2.gz WAGFNYPPUXFZKD-ZDUSSCGKSA-N 2 1 268.405 0.864 10 0 CCAEMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000102000348 279198955 /nfs/dbraw/zinc/19/89/55/279198955.db2.gz WAGFNYPPUXFZKD-ZDUSSCGKSA-N 2 1 268.405 0.864 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000389644758 545086651 /nfs/dbraw/zinc/08/66/51/545086651.db2.gz MDNFLYHRSNXGGB-FRRDWIJNSA-N 2 1 253.390 0.975 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000381166823 327134615 /nfs/dbraw/zinc/13/46/15/327134615.db2.gz URDKFGCSLDCMCK-KBPBESRZSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000381166823 327134617 /nfs/dbraw/zinc/13/46/17/327134617.db2.gz URDKFGCSLDCMCK-KBPBESRZSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000381166823 327134619 /nfs/dbraw/zinc/13/46/19/327134619.db2.gz URDKFGCSLDCMCK-KBPBESRZSA-N 2 1 255.406 0.469 10 0 CCAEMP CC(C)C[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000164388570 519209916 /nfs/dbraw/zinc/20/99/16/519209916.db2.gz XQUWRZQASKFPIQ-ZFWWWQNUSA-N 2 1 297.443 0.705 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055124645 521667785 /nfs/dbraw/zinc/66/77/85/521667785.db2.gz LAGFGCPVGYSIIC-UPJWGTAASA-N 2 1 253.390 0.914 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@@H+]2C[C@H](C)OC(C)(C)C2)nn1 ZINC000052543512 522146568 /nfs/dbraw/zinc/14/65/68/522146568.db2.gz HKLCBJXBSLHQSI-NSHDSACASA-N 2 1 267.377 0.497 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@H+]2C[C@H](C)OC(C)(C)C2)nn1 ZINC000052543512 522146572 /nfs/dbraw/zinc/14/65/72/522146572.db2.gz HKLCBJXBSLHQSI-NSHDSACASA-N 2 1 267.377 0.497 10 0 CCAEMP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000163426058 524668428 /nfs/dbraw/zinc/66/84/28/524668428.db2.gz KTGZJIGJFRKDMC-KBPBESRZSA-N 2 1 298.431 0.300 10 0 CCAEMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263115344 535030710 /nfs/dbraw/zinc/03/07/10/535030710.db2.gz APLMUPJUDYCRTE-KBPBESRZSA-N 2 1 278.400 0.596 10 0 CCAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CCCOC1 ZINC000399212882 581208286 /nfs/dbraw/zinc/20/82/86/581208286.db2.gz YMMGBNBUFMRBMF-STQMWFEESA-N 2 1 256.390 0.848 10 0 CCAEMP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000312068585 625362510 /nfs/dbraw/zinc/36/25/10/625362510.db2.gz MFQGOGOXACGMCK-RWMBFGLXSA-N 2 1 270.373 0.184 10 0 CCAEMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000312068585 625362511 /nfs/dbraw/zinc/36/25/11/625362511.db2.gz MFQGOGOXACGMCK-RWMBFGLXSA-N 2 1 270.373 0.184 10 0 CCAEMP [NH3+][C@H](CC1CC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000306112482 624606420 /nfs/dbraw/zinc/60/64/20/624606420.db2.gz WVCXNSWJRYDQKJ-QWHCGFSZSA-N 2 1 251.374 0.811 10 0 CCAEMP [NH3+][C@H](CC1CC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000306112482 624606426 /nfs/dbraw/zinc/60/64/26/624606426.db2.gz WVCXNSWJRYDQKJ-QWHCGFSZSA-N 2 1 251.374 0.811 10 0 CCAEMP [NH3+]C1CC[NH+](CCNc2ncnc3nc[nH]c32)CC1 ZINC000321144405 632781149 /nfs/dbraw/zinc/78/11/49/632781149.db2.gz FJCDXRMCJARUPL-UHFFFAOYSA-N 2 1 261.333 0.188 10 0 CCAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000227802554 637035673 /nfs/dbraw/zinc/03/56/73/637035673.db2.gz IVNTWNNEVDANAM-BFHYXJOUSA-N 2 1 253.390 0.520 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC2OCCO2)CC1 ZINC000124181518 646302744 /nfs/dbraw/zinc/30/27/44/646302744.db2.gz IRSNDUZJXVWTSY-CYBMUJFWSA-N 2 1 286.416 0.774 10 0 CCAEMP [NH3+]CCCCc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000091686586 649709266 /nfs/dbraw/zinc/70/92/66/649709266.db2.gz OIXMQLMSMQJFRU-WDEREUQCSA-N 2 1 266.345 0.887 10 0 CCAEMP [NH3+]CCCCc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000091686586 649709268 /nfs/dbraw/zinc/70/92/68/649709268.db2.gz OIXMQLMSMQJFRU-WDEREUQCSA-N 2 1 266.345 0.887 10 0 CCAEMP C(c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000091685639 649709498 /nfs/dbraw/zinc/70/94/98/649709498.db2.gz OHEQZEMPDPTDSZ-QJPTWQEYSA-N 2 1 278.356 0.900 10 0 CCAEMP C(c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000091685639 649709502 /nfs/dbraw/zinc/70/95/02/649709502.db2.gz OHEQZEMPDPTDSZ-QJPTWQEYSA-N 2 1 278.356 0.900 10 0 CCAEMP C[C@]1(c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)CC[NH2+]C1 ZINC000091685930 649709761 /nfs/dbraw/zinc/70/97/61/649709761.db2.gz VCYZMLPSDVYJDK-SUNKGSAMSA-N 2 1 278.356 0.856 10 0 CCAEMP C[C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)CC[NH2+]C1 ZINC000091685930 649709762 /nfs/dbraw/zinc/70/97/62/649709762.db2.gz VCYZMLPSDVYJDK-SUNKGSAMSA-N 2 1 278.356 0.856 10 0 CCAEMP C[C@H]([NH3+])CCc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686039 649709851 /nfs/dbraw/zinc/70/98/51/649709851.db2.gz UEIPOTQSUQYLKA-AXFHLTTASA-N 2 1 266.345 0.885 10 0 CCAEMP C[C@H]([NH3+])CCc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686039 649709852 /nfs/dbraw/zinc/70/98/52/649709852.db2.gz UEIPOTQSUQYLKA-AXFHLTTASA-N 2 1 266.345 0.885 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252562413 649828877 /nfs/dbraw/zinc/82/88/77/649828877.db2.gz WWHAVNLGGVGYLV-CRWXNKLISA-N 2 1 281.400 0.341 10 0 CCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@H](O)C2)CC1 ZINC000093332580 349538261 /nfs/dbraw/zinc/53/82/61/349538261.db2.gz XQTYRYJTKCXCDW-GXTWGEPZSA-N 2 1 283.416 0.290 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C1CC1 ZINC000094460136 349567983 /nfs/dbraw/zinc/56/79/83/349567983.db2.gz NQGYAFQTNWXFER-DGCLKSJQSA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000094447043 349568225 /nfs/dbraw/zinc/56/82/25/349568225.db2.gz PGYAESKANASDMX-WCQYABFASA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000094447042 349568665 /nfs/dbraw/zinc/56/86/65/349568665.db2.gz PGYAESKANASDMX-DGCLKSJQSA-N 2 1 251.374 0.824 10 0 CCAEMP CC[N@@H+](CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000117043136 349880621 /nfs/dbraw/zinc/88/06/21/349880621.db2.gz JGMDEGOKQUVVJC-AWEZNQCLSA-N 2 1 298.431 0.443 10 0 CCAEMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000262352921 137040001 /nfs/dbraw/zinc/04/00/01/137040001.db2.gz JIUOYSDRXMZVSY-ZDUSSCGKSA-N 2 1 283.416 0.411 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000263288357 137062921 /nfs/dbraw/zinc/06/29/21/137062921.db2.gz VJCXGCNYZRUUPC-BXKDBHETSA-N 2 1 280.759 0.658 10 0 CCAEMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000310998958 137073560 /nfs/dbraw/zinc/07/35/60/137073560.db2.gz JFXAGKSNUTUZOU-ZJUUUORDSA-N 2 1 261.316 0.666 10 0 CCAEMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000310998958 137073561 /nfs/dbraw/zinc/07/35/61/137073561.db2.gz JFXAGKSNUTUZOU-ZJUUUORDSA-N 2 1 261.316 0.666 10 0 CCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc2c1OCCO2 ZINC000263198681 137059974 /nfs/dbraw/zinc/05/99/74/137059974.db2.gz ISLSMAKMKKIDLI-VXGBXAGGSA-N 2 1 294.351 0.136 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000263222136 137060843 /nfs/dbraw/zinc/06/08/43/137060843.db2.gz MASYJJDPUFFVDN-ZYHUDNBSSA-N 2 1 292.408 0.943 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccnn2C)CC1 ZINC000121136583 350024035 /nfs/dbraw/zinc/02/40/35/350024035.db2.gz UOHONJNCPANWEW-ZDUSSCGKSA-N 2 1 280.416 0.945 10 0 CCAEMP COC[C@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000126676474 350151281 /nfs/dbraw/zinc/15/12/81/350151281.db2.gz RKPWDZBDTGRRDO-CYBMUJFWSA-N 2 1 267.373 0.682 10 0 CCAEMP CCOCC[N@@H+]1CCN(C(=O)C[NH2+]C2CC2)C[C@@H]1CC ZINC000154654870 350595471 /nfs/dbraw/zinc/59/54/71/350595471.db2.gz SBPMSPCJZASPGK-AWEZNQCLSA-N 2 1 283.416 0.698 10 0 CCAEMP CCOCC[N@H+]1CCN(C(=O)C[NH2+]C2CC2)C[C@@H]1CC ZINC000154654870 350595473 /nfs/dbraw/zinc/59/54/73/350595473.db2.gz SBPMSPCJZASPGK-AWEZNQCLSA-N 2 1 283.416 0.698 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000154653882 350596000 /nfs/dbraw/zinc/59/60/00/350596000.db2.gz WGFQBPBHBIOOQJ-DGCLKSJQSA-N 2 1 269.389 0.042 10 0 CCAEMP CC[C@H](C(N)=O)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174903770 351109560 /nfs/dbraw/zinc/10/95/60/351109560.db2.gz NXCKILWJQAKNQI-UONOGXRCSA-N 2 1 282.432 0.352 10 0 CCAEMP CC[C@H](C(N)=O)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903770 351109572 /nfs/dbraw/zinc/10/95/72/351109572.db2.gz NXCKILWJQAKNQI-UONOGXRCSA-N 2 1 282.432 0.352 10 0 CCAEMP C[C@H](CN1CCOCC1)[N@@H+]1CCCN(C2CC2)CC1 ZINC000180593995 351289929 /nfs/dbraw/zinc/28/99/29/351289929.db2.gz OLLSLMONJIEMIU-CQSZACIVSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H](CN1CCOCC1)[N@H+]1CCCN(C2CC2)CC1 ZINC000180593995 351289932 /nfs/dbraw/zinc/28/99/32/351289932.db2.gz OLLSLMONJIEMIU-CQSZACIVSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000123238397 187079533 /nfs/dbraw/zinc/07/95/33/187079533.db2.gz QPTKIVSPBWRTBA-MGPQQGTHSA-N 2 1 255.406 0.779 10 0 CCAEMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1COCC[NH2+]1 ZINC000238024264 352294628 /nfs/dbraw/zinc/29/46/28/352294628.db2.gz VFDYNMQOQLARFH-ZDUSSCGKSA-N 2 1 269.389 0.357 10 0 CCAEMP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1COCC[NH2+]1 ZINC000238115095 352298670 /nfs/dbraw/zinc/29/86/70/352298670.db2.gz XRTJKNNYJKMXJJ-ZDUSSCGKSA-N 2 1 269.389 0.403 10 0 CCAEMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@H]1CCCC[NH2+]C1 ZINC000333789752 354793844 /nfs/dbraw/zinc/79/38/44/354793844.db2.gz FZMIJFDNWNQZCR-OLZOCXBDSA-N 2 1 291.399 0.887 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000377588117 291191924 /nfs/dbraw/zinc/19/19/24/291191924.db2.gz OCNAAEWJWOQQSN-ZIAGYGMSSA-N 2 1 282.432 0.128 10 0 CCAEMP CCC1([NH+](C)C)CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000631866222 370725839 /nfs/dbraw/zinc/72/58/39/370725839.db2.gz VHBZRNDIKSOXKD-UHFFFAOYSA-N 2 1 267.377 0.835 10 0 CCAEMP COc1cc(C)[nH+]c(CN(C)CC[N@H+](C)CCO)c1 ZINC000623090960 367447638 /nfs/dbraw/zinc/44/76/38/367447638.db2.gz HTFXIDBVGYXQCL-UHFFFAOYSA-N 2 1 267.373 0.755 10 0 CCAEMP COc1cc(C)[nH+]c(CN(C)CC[N@@H+](C)CCO)c1 ZINC000623090960 367447641 /nfs/dbraw/zinc/44/76/41/367447641.db2.gz HTFXIDBVGYXQCL-UHFFFAOYSA-N 2 1 267.373 0.755 10 0 CCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOC3CCOCC3)C[C@@H]12 ZINC000629519759 369689275 /nfs/dbraw/zinc/68/92/75/369689275.db2.gz QXNMMACWLAJNHU-IACUBPJLSA-N 2 1 254.374 0.851 10 0 CCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC3CCOCC3)C[C@H]12 ZINC000629519760 369689776 /nfs/dbraw/zinc/68/97/76/369689776.db2.gz QXNMMACWLAJNHU-KWCYVHTRSA-N 2 1 254.374 0.851 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765785 372212266 /nfs/dbraw/zinc/21/22/66/372212266.db2.gz DQXORCRQRDMPFA-GUTXKFCHSA-N 2 1 265.401 0.977 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638107777 374673966 /nfs/dbraw/zinc/67/39/66/374673966.db2.gz GPXBOXRFRSUAOK-UKRRQHHQSA-N 2 1 283.416 0.685 10 0 CCAEMP COC[C@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCC[NH2+]1 ZINC000638109202 374676544 /nfs/dbraw/zinc/67/65/44/374676544.db2.gz SKSXZGRMBAYPSD-HIFRSBDPSA-N 2 1 281.400 0.452 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638109988 374679040 /nfs/dbraw/zinc/67/90/40/374679040.db2.gz YSYYPFUCAMWNAG-OCCSQVGLSA-N 2 1 269.389 0.308 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000137108887 389269116 /nfs/dbraw/zinc/26/91/16/389269116.db2.gz ZJOFZTHHLHNDNO-HUUCEWRRSA-N 2 1 298.475 0.715 10 0 CCAEMP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000333527309 389417789 /nfs/dbraw/zinc/41/77/89/389417789.db2.gz HKPKLINQEHQDPB-KBPBESRZSA-N 2 1 298.431 0.396 10 0 CCAEMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333466629 389414346 /nfs/dbraw/zinc/41/43/46/389414346.db2.gz AHZRMTXHVGHAMZ-AAEUAGOBSA-N 2 1 272.368 0.472 10 0 CCAEMP C[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000334349568 389469911 /nfs/dbraw/zinc/46/99/11/389469911.db2.gz FAPOLYMMHJGRBS-GFCCVEGCSA-N 2 1 251.374 0.872 10 0 CCAEMP CCNC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171588942 389477628 /nfs/dbraw/zinc/47/76/28/389477628.db2.gz JQCANOPMRUGTJT-ZDUSSCGKSA-N 2 1 285.432 0.537 10 0 CCAEMP C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1C[NH2+]C1 ZINC000164609376 389436177 /nfs/dbraw/zinc/43/61/77/389436177.db2.gz HRIWOLYRHOPZJQ-NDNKKMJESA-N 2 1 265.401 0.973 10 0 CCAEMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)C1CC1 ZINC000398790412 389785133 /nfs/dbraw/zinc/78/51/33/389785133.db2.gz NGJGXJZRRYVFPG-VIRABCJISA-N 2 1 268.401 0.534 10 0 CCAEMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)C1CC1 ZINC000398790412 389785134 /nfs/dbraw/zinc/78/51/34/389785134.db2.gz NGJGXJZRRYVFPG-VIRABCJISA-N 2 1 268.401 0.534 10 0 CCAEMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)C1CC1 ZINC000398790412 389785138 /nfs/dbraw/zinc/78/51/38/389785138.db2.gz NGJGXJZRRYVFPG-VIRABCJISA-N 2 1 268.401 0.534 10 0 CCAEMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)C1CC1 ZINC000398790412 389785141 /nfs/dbraw/zinc/78/51/41/389785141.db2.gz NGJGXJZRRYVFPG-VIRABCJISA-N 2 1 268.401 0.534 10 0 CCAEMP CC[C@H](C(N)=O)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408080930 389825787 /nfs/dbraw/zinc/82/57/87/389825787.db2.gz LRVUNUAMZFPTLQ-TZMCWYRMSA-N 2 1 282.432 0.351 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1CNc1cc[nH+]cc1Br ZINC000420233919 389969824 /nfs/dbraw/zinc/96/98/24/389969824.db2.gz CBGWRWDFSKKLAZ-XCBNKYQSSA-N 2 1 272.146 0.258 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000647971240 390234531 /nfs/dbraw/zinc/23/45/31/390234531.db2.gz ZQONXQGEKJVOPZ-KGLIPLIRSA-N 2 1 257.422 0.571 10 0 CCAEMP C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H]([NH3+])[C@H]1O ZINC000514287975 390466803 /nfs/dbraw/zinc/46/68/03/390466803.db2.gz CNCOSNYJXCHGAS-MELADBBJSA-N 2 1 250.342 0.248 10 0 biogenic,in-vitro CCAEMP COC[C@]1(C(=O)N2CC[NH+](C3CCC3)CC2)CCC[NH2+]1 ZINC000649334189 390590312 /nfs/dbraw/zinc/59/03/12/390590312.db2.gz QVIKYDWJFOELLH-HNNXBMFYSA-N 2 1 281.400 0.452 10 0 CCAEMP COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000649310381 390569204 /nfs/dbraw/zinc/56/92/04/390569204.db2.gz AQWZFPFEMBYMNW-OCCSQVGLSA-N 2 1 269.389 0.213 10 0 CCAEMP CCN1CCO[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000311439599 411749739 /nfs/dbraw/zinc/74/97/39/411749739.db2.gz GBJHFJVEPXNGTJ-OAHLLOKOSA-N 2 1 267.417 0.924 10 0 CCAEMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[N@@H+](C)C1CC1 ZINC000653116760 412228532 /nfs/dbraw/zinc/22/85/32/412228532.db2.gz RIEQROQSJNYCOX-JMJZKYOTSA-N 2 1 293.333 0.983 10 0 CCAEMP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000662263225 414702642 /nfs/dbraw/zinc/70/26/42/414702642.db2.gz LKLHROWSWRSJIZ-OLZOCXBDSA-N 2 1 251.374 0.287 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662623403 414734175 /nfs/dbraw/zinc/73/41/75/414734175.db2.gz XPKOUQKJIQGRSQ-GARJFASQSA-N 2 1 257.353 0.675 10 0 CCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071189834 176065324 /nfs/dbraw/zinc/06/53/24/176065324.db2.gz ZQLNSFHMSBRFBG-QWHCGFSZSA-N 2 1 253.390 0.786 10 0 CCAEMP CSCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189571 176065860 /nfs/dbraw/zinc/06/58/60/176065860.db2.gz GEDDFIIMIUYNJU-QWRGUYRKSA-N 2 1 259.419 0.477 10 0 CCAEMP CC[N@@H+]([C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000071586917 176213912 /nfs/dbraw/zinc/21/39/12/176213912.db2.gz CVVMFMUUJLERNJ-GRYCIOLGSA-N 2 1 260.403 0.623 10 0 CCAEMP CC[N@H+]([C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000071586917 176213914 /nfs/dbraw/zinc/21/39/14/176213914.db2.gz CVVMFMUUJLERNJ-GRYCIOLGSA-N 2 1 260.403 0.623 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000089457981 544514491 /nfs/dbraw/zinc/51/44/91/544514491.db2.gz FQPWSFKOKKFDIB-WCQYABFASA-N 2 1 251.374 0.668 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250643843 544924034 /nfs/dbraw/zinc/92/40/34/544924034.db2.gz UOYRYBCWYNIUPI-UPJWGTAASA-N 2 1 253.390 0.819 10 0 CCAEMP CNC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151111503 277230141 /nfs/dbraw/zinc/23/01/41/277230141.db2.gz TUGFTPNQBIQXTR-GFCCVEGCSA-N 2 1 262.357 0.870 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(C)(C)O)CC1 ZINC000105903242 278395122 /nfs/dbraw/zinc/39/51/22/278395122.db2.gz DZKAQRKZBDNJRU-GFCCVEGCSA-N 2 1 258.406 0.782 10 0 CCAEMP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246918729 280090480 /nfs/dbraw/zinc/09/04/80/280090480.db2.gz GKEBBOMXHZUSJO-RYUDHWBXSA-N 2 1 250.346 0.920 10 0 CCAEMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246918729 280090481 /nfs/dbraw/zinc/09/04/81/280090481.db2.gz GKEBBOMXHZUSJO-RYUDHWBXSA-N 2 1 250.346 0.920 10 0 CCAEMP CC[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000252671442 281142633 /nfs/dbraw/zinc/14/26/33/281142633.db2.gz VTWUVVPYPVUMHW-GXTWGEPZSA-N 2 1 287.379 0.257 10 0 CCAEMP CC[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[N@H+]1CCOC ZINC000252671442 281142635 /nfs/dbraw/zinc/14/26/35/281142635.db2.gz VTWUVVPYPVUMHW-GXTWGEPZSA-N 2 1 287.379 0.257 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251533858 288304214 /nfs/dbraw/zinc/30/42/14/288304214.db2.gz ALOZUOLBHBCHHU-FVCCEPFGSA-N 2 1 251.374 0.809 10 0 CCAEMP CN(C(=O)[C@H]1CC[NH2+]CC1(F)F)C1CC[NH+](C)CC1 ZINC000335330408 281858741 /nfs/dbraw/zinc/85/87/41/281858741.db2.gz SFUVIDJQOMPYMB-LLVKDONJSA-N 2 1 275.343 0.784 10 0 CCAEMP [NH3+][C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000085361907 295338935 /nfs/dbraw/zinc/33/89/35/295338935.db2.gz CMONWQYYKADXAK-XQHKEYJVSA-N 2 1 251.374 0.857 10 0 CCAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)[C@H](C)O1 ZINC000385150183 336140951 /nfs/dbraw/zinc/14/09/51/336140951.db2.gz MZHOVOAYBUCQQH-RQJABVFESA-N 2 1 256.390 0.989 10 0 CCAEMP CCOC(=O)[C@@](C)([NH3+])CCN1CCC[C@@H]1C[NH+](C)C ZINC000061653016 521153136 /nfs/dbraw/zinc/15/31/36/521153136.db2.gz QJDWSEVCILLXIB-OCCSQVGLSA-N 2 1 271.405 0.683 10 0 CCAEMP CCOC(=O)[C@@H]([NH3+])CCN1CCC([NH+](C)C)CC1 ZINC000062449394 521070028 /nfs/dbraw/zinc/07/00/28/521070028.db2.gz KMSOCZNDOVHSKX-LBPRGKRZSA-N 2 1 257.378 0.293 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000052380540 522147200 /nfs/dbraw/zinc/14/72/00/522147200.db2.gz QIUBWOJTLWOCQZ-PHIMTYICSA-N 2 1 253.350 0.107 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000052380540 522147205 /nfs/dbraw/zinc/14/72/05/522147205.db2.gz QIUBWOJTLWOCQZ-PHIMTYICSA-N 2 1 253.350 0.107 10 0 CCAEMP COCC[N@@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052572870 523619369 /nfs/dbraw/zinc/61/93/69/523619369.db2.gz ZYKNMBIPGPBMDI-UHFFFAOYSA-N 2 1 269.393 0.602 10 0 CCAEMP CC[C@@](C)(C[NH3+])C[NH+]1CCN(c2ncccn2)CC1 ZINC000051212756 523640111 /nfs/dbraw/zinc/64/01/11/523640111.db2.gz CFMZEVYFYAAMGT-AWEZNQCLSA-N 2 1 263.389 0.974 10 0 CCAEMP C[C@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H]1[NH3+] ZINC000055136307 524129997 /nfs/dbraw/zinc/12/99/97/524129997.db2.gz RIPAFWCVBDTQQN-UMSGYPCISA-N 2 1 253.390 0.960 10 0 CCAEMP CC(C)[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)[NH+](C)C ZINC000263241456 535170299 /nfs/dbraw/zinc/17/02/99/535170299.db2.gz ORDXYQPNWXNEBH-WDEREUQCSA-N 2 1 267.377 0.904 10 0 CCAEMP CCN(CC)c1ncc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263281862 535693365 /nfs/dbraw/zinc/69/33/65/535693365.db2.gz UKUPPGDVCNCVKT-CMPLNLGQSA-N 2 1 284.429 0.659 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263227140 535725369 /nfs/dbraw/zinc/72/53/69/535725369.db2.gz MYGPDMIFZGBYBR-TZMCWYRMSA-N 2 1 250.342 0.755 10 0 CCAEMP C[NH2+][C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cnn(C)c1 ZINC000262318506 536380823 /nfs/dbraw/zinc/38/08/23/536380823.db2.gz DVNGHHVPFGCENM-UBHSHLNASA-N 2 1 291.399 0.376 10 0 CCAEMP C[NH2+][C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1cnn(C)c1 ZINC000262318506 536380827 /nfs/dbraw/zinc/38/08/27/536380827.db2.gz DVNGHHVPFGCENM-UBHSHLNASA-N 2 1 291.399 0.376 10 0 CCAEMP CCCCOC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000227894131 637040231 /nfs/dbraw/zinc/04/02/31/637040231.db2.gz KWAZSAQKACYAEY-KFWWJZLASA-N 2 1 286.416 0.617 10 0 CCAEMP CCCCOC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000227894131 637040236 /nfs/dbraw/zinc/04/02/36/637040236.db2.gz KWAZSAQKACYAEY-KFWWJZLASA-N 2 1 286.416 0.617 10 0 CCAEMP C(Cc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685588 649709412 /nfs/dbraw/zinc/70/94/12/649709412.db2.gz ZQZSPVVTYMUOMG-VXGBXAGGSA-N 2 1 278.356 0.900 10 0 CCAEMP C(Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685588 649709416 /nfs/dbraw/zinc/70/94/16/649709416.db2.gz ZQZSPVVTYMUOMG-VXGBXAGGSA-N 2 1 278.356 0.900 10 0 CCAEMP C[C@]1(c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)CC[NH2+]C1 ZINC000091685937 649709803 /nfs/dbraw/zinc/70/98/03/649709803.db2.gz VCYZMLPSDVYJDK-GYSYKLTISA-N 2 1 278.356 0.856 10 0 CCAEMP C[C@]1(c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)CC[NH2+]C1 ZINC000091685937 649709805 /nfs/dbraw/zinc/70/98/05/649709805.db2.gz VCYZMLPSDVYJDK-GYSYKLTISA-N 2 1 278.356 0.856 10 0 CCAEMP COC(=O)CCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000116398615 349870092 /nfs/dbraw/zinc/87/00/92/349870092.db2.gz IJVJGOYGQAJPCI-ZDUSSCGKSA-N 2 1 286.416 0.964 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117037462 349879758 /nfs/dbraw/zinc/87/97/58/349879758.db2.gz AKBALYQLWPYQGV-ZIAGYGMSSA-N 2 1 298.431 0.443 10 0 CCAEMP CN(C(=O)C1C[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261556745 137008072 /nfs/dbraw/zinc/00/80/72/137008072.db2.gz WGEVRLNYOJMUNN-HNNXBMFYSA-N 2 1 273.380 0.939 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263129568 137058884 /nfs/dbraw/zinc/05/88/84/137058884.db2.gz BOVNXQKVMLMHDC-AAEUAGOBSA-N 2 1 268.332 0.894 10 0 CCAEMP CC(C)Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263219912 137060518 /nfs/dbraw/zinc/06/05/18/137060518.db2.gz LRMOEOONIFAICM-QWHCGFSZSA-N 2 1 252.362 0.209 10 0 CCAEMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263223081 137060982 /nfs/dbraw/zinc/06/09/82/137060982.db2.gz MGKXYUALNBEKDY-MWLCHTKSSA-N 2 1 252.362 0.377 10 0 CCAEMP C[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052395850 348509459 /nfs/dbraw/zinc/50/94/59/348509459.db2.gz NEUXKTJKESOYSV-CYBMUJFWSA-N 2 1 291.395 0.743 10 0 CCAEMP CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261574242 535094382 /nfs/dbraw/zinc/09/43/82/535094382.db2.gz MPSPHZAQMVSOLQ-RWMBFGLXSA-N 2 1 274.430 0.869 10 0 CCAEMP CC(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261574242 535094390 /nfs/dbraw/zinc/09/43/90/535094390.db2.gz MPSPHZAQMVSOLQ-RWMBFGLXSA-N 2 1 274.430 0.869 10 0 CCAEMP CC1CC[NH+](CCCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371748 349364248 /nfs/dbraw/zinc/36/42/48/349364248.db2.gz GBCJFZYZAJFRRU-ZDUSSCGKSA-N 2 1 269.389 0.213 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nccc(N)n2)CC1 ZINC000135051283 350383411 /nfs/dbraw/zinc/38/34/11/350383411.db2.gz WTHPMIFMGNBYSB-GFCCVEGCSA-N 2 1 293.415 0.583 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nccc(N)n2)CC1 ZINC000135051283 350383416 /nfs/dbraw/zinc/38/34/16/350383416.db2.gz WTHPMIFMGNBYSB-GFCCVEGCSA-N 2 1 293.415 0.583 10 0 CCAEMP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC000169043940 350835370 /nfs/dbraw/zinc/83/53/70/350835370.db2.gz FHQXMTUHPMNEER-OLZOCXBDSA-N 2 1 254.374 0.744 10 0 CCAEMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCOCC1 ZINC000169043940 350835373 /nfs/dbraw/zinc/83/53/73/350835373.db2.gz FHQXMTUHPMNEER-OLZOCXBDSA-N 2 1 254.374 0.744 10 0 CCAEMP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178756338 351244451 /nfs/dbraw/zinc/24/44/51/351244451.db2.gz RGXXSIVNJZDJJV-LBPRGKRZSA-N 2 1 283.441 0.778 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3(C[NH3+])CCOCC3)CC[C@H]21 ZINC000227331305 352043773 /nfs/dbraw/zinc/04/37/73/352043773.db2.gz XUYHMXGLZVSZFY-ZIAGYGMSSA-N 2 1 295.427 0.685 10 0 CCAEMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1COCC[NH2+]1 ZINC000237989390 352292843 /nfs/dbraw/zinc/29/28/43/352292843.db2.gz MOBKCGLISZAZQU-AWEZNQCLSA-N 2 1 281.400 0.498 10 0 CCAEMP CC(C)[N@H+](C)CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246597188 352375372 /nfs/dbraw/zinc/37/53/72/352375372.db2.gz BDZAQLCLAJCRJV-STQMWFEESA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246597188 352375378 /nfs/dbraw/zinc/37/53/78/352375378.db2.gz BDZAQLCLAJCRJV-STQMWFEESA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000246597188 352375380 /nfs/dbraw/zinc/37/53/80/352375380.db2.gz BDZAQLCLAJCRJV-STQMWFEESA-N 2 1 271.405 0.240 10 0 CCAEMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000246597188 352375382 /nfs/dbraw/zinc/37/53/82/352375382.db2.gz BDZAQLCLAJCRJV-STQMWFEESA-N 2 1 271.405 0.240 10 0 CCAEMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000246786204 352382992 /nfs/dbraw/zinc/38/29/92/352382992.db2.gz ACMXBNYVSNPNME-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000246786204 352382995 /nfs/dbraw/zinc/38/29/95/352382995.db2.gz ACMXBNYVSNPNME-GJZGRUSLSA-N 2 1 267.417 0.877 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246272599 352358789 /nfs/dbraw/zinc/35/87/89/352358789.db2.gz LXGBKIYREUDZHF-DGCLKSJQSA-N 2 1 257.353 0.631 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(C)C1=O ZINC000247140628 352401493 /nfs/dbraw/zinc/40/14/93/352401493.db2.gz SWCCYMIIMUBNBU-OLZOCXBDSA-N 2 1 262.357 0.887 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(C)C1=O ZINC000247140628 352401495 /nfs/dbraw/zinc/40/14/95/352401495.db2.gz SWCCYMIIMUBNBU-OLZOCXBDSA-N 2 1 262.357 0.887 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](C[NH+](C)CC2CC2)C1 ZINC000328655575 354246544 /nfs/dbraw/zinc/24/65/44/354246544.db2.gz YMFURVJPPJDPBK-OAHLLOKOSA-N 2 1 297.443 0.896 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CCO[C@H](C[N@H+](C)CC2CC2)C1 ZINC000328655575 354246545 /nfs/dbraw/zinc/24/65/45/354246545.db2.gz YMFURVJPPJDPBK-OAHLLOKOSA-N 2 1 297.443 0.896 10 0 CCAEMP CC(C)[NH+](C)CC(=O)N1CCO[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000328655575 354246546 /nfs/dbraw/zinc/24/65/46/354246546.db2.gz YMFURVJPPJDPBK-OAHLLOKOSA-N 2 1 297.443 0.896 10 0 CCAEMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000336391071 355114376 /nfs/dbraw/zinc/11/43/76/355114376.db2.gz RPDWCGNSYPKLPG-TZMCWYRMSA-N 2 1 278.400 0.713 10 0 CCAEMP 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CCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000332868908 389384425 /nfs/dbraw/zinc/38/44/25/389384425.db2.gz MYPJIWBWESYAPE-ZIAGYGMSSA-N 2 1 298.431 0.179 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000332868908 389384426 /nfs/dbraw/zinc/38/44/26/389384426.db2.gz MYPJIWBWESYAPE-ZIAGYGMSSA-N 2 1 298.431 0.179 10 0 CCAEMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)C1CC1 ZINC000398790407 389785027 /nfs/dbraw/zinc/78/50/27/389785027.db2.gz NGJGXJZRRYVFPG-JURCDPSOSA-N 2 1 268.401 0.534 10 0 CCAEMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)C1CC1 ZINC000398790407 389785032 /nfs/dbraw/zinc/78/50/32/389785032.db2.gz NGJGXJZRRYVFPG-JURCDPSOSA-N 2 1 268.401 0.534 10 0 CCAEMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)C1CC1 ZINC000398790407 389785034 /nfs/dbraw/zinc/78/50/34/389785034.db2.gz NGJGXJZRRYVFPG-JURCDPSOSA-N 2 1 268.401 0.534 10 0 CCAEMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)C1CC1 ZINC000398790407 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CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300521735 411743330 /nfs/dbraw/zinc/74/33/30/411743330.db2.gz LTTZUSAXSYSJKS-MROQNXINSA-N 2 1 251.374 0.585 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000310945216 411746675 /nfs/dbraw/zinc/74/66/75/411746675.db2.gz XQKGUKPBLVRMBC-ZIAGYGMSSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310945216 411746680 /nfs/dbraw/zinc/74/66/80/411746680.db2.gz XQKGUKPBLVRMBC-ZIAGYGMSSA-N 2 1 255.406 0.468 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000310945216 411746683 /nfs/dbraw/zinc/74/66/83/411746683.db2.gz XQKGUKPBLVRMBC-ZIAGYGMSSA-N 2 1 255.406 0.468 10 0 CCAEMP CCN1CCO[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000311439598 411749938 /nfs/dbraw/zinc/74/99/38/411749938.db2.gz GBJHFJVEPXNGTJ-HNNXBMFYSA-N 2 1 267.417 0.924 10 0 CCAEMP [NH3+]C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000020225946 171090296 /nfs/dbraw/zinc/09/02/96/171090296.db2.gz CRPMYCVSJNOXRX-CQSZACIVSA-N 2 1 283.803 0.950 10 0 CCAEMP C[C@H]([NH2+]CCN1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210156 173031849 /nfs/dbraw/zinc/03/18/49/173031849.db2.gz GJJFPUJLVVWQEG-UONOGXRCSA-N 2 1 255.406 0.639 10 0 CCAEMP CCN(C)C(=O)CN1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000037223156 173043828 /nfs/dbraw/zinc/04/38/28/173043828.db2.gz CFYKEQYGGRLAJC-UHFFFAOYSA-N 2 1 270.421 0.211 10 0 CCAEMP CN(C)C(=O)C[N@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037270214 173082217 /nfs/dbraw/zinc/08/22/17/173082217.db2.gz MMIIWVXAEJHCPA-ZDUSSCGKSA-N 2 1 265.357 0.199 10 0 CCAEMP CN(C)C(=O)C[N@@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037270214 173082221 /nfs/dbraw/zinc/08/22/21/173082221.db2.gz MMIIWVXAEJHCPA-ZDUSSCGKSA-N 2 1 265.357 0.199 10 0 CCAEMP COC[C@@H](O)C[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042508139 174763137 /nfs/dbraw/zinc/76/31/37/174763137.db2.gz NIXJUTZMIYUUQN-LBPRGKRZSA-N 2 1 251.330 0.410 10 0 CCAEMP CCOC(=O)[C@@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150945 176045242 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CC1(C)C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] ZINC000261698942 278340454 /nfs/dbraw/zinc/34/04/54/278340454.db2.gz HZMMQUHLUKWZBD-NEPJUHHUSA-N 2 1 251.374 0.809 10 0 CCAEMP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000335285409 279319240 /nfs/dbraw/zinc/31/92/40/279319240.db2.gz NXKZBRFKTYVHRT-GXTWGEPZSA-N 2 1 286.395 0.814 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000335285409 279319241 /nfs/dbraw/zinc/31/92/41/279319241.db2.gz NXKZBRFKTYVHRT-GXTWGEPZSA-N 2 1 286.395 0.814 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000248853974 279346702 /nfs/dbraw/zinc/34/67/02/279346702.db2.gz KFXKVDHQPNEIAI-HZSPNIEDSA-N 2 1 283.416 0.696 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399095968 545089160 /nfs/dbraw/zinc/08/91/60/545089160.db2.gz SNQGOLSZUZOMQU-AJNGGQMLSA-N 2 1 270.417 0.780 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399095968 545089161 /nfs/dbraw/zinc/08/91/61/545089161.db2.gz SNQGOLSZUZOMQU-AJNGGQMLSA-N 2 1 270.417 0.780 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399095968 545089162 /nfs/dbraw/zinc/08/91/62/545089162.db2.gz SNQGOLSZUZOMQU-AJNGGQMLSA-N 2 1 270.417 0.780 10 0 CCAEMP CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000389132469 545086365 /nfs/dbraw/zinc/08/63/65/545086365.db2.gz FKBJVLJKAMRXQB-LBPRGKRZSA-N 2 1 269.389 0.342 10 0 CCAEMP CCO[C@H](C[NH3+])CC[N@H+]1CCCN(C(C)=O)CC1 ZINC000062741164 520515893 /nfs/dbraw/zinc/51/58/93/520515893.db2.gz JRYLWRMIKGVDFB-ZDUSSCGKSA-N 2 1 257.378 0.295 10 0 CCAEMP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000061653808 521764666 /nfs/dbraw/zinc/76/46/66/521764666.db2.gz ZXGRIUPEWJVBLH-GJZGRUSLSA-N 3 1 268.449 0.683 10 0 CCAEMP CC[N@@H+](CCn1cc(C[NH2+]C)nn1)[C@@H](C)COC ZINC000052504867 521184547 /nfs/dbraw/zinc/18/45/47/521184547.db2.gz UFTJUNNFRANUAB-NSHDSACASA-N 2 1 255.366 0.354 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000049225186 521647453 /nfs/dbraw/zinc/64/74/53/521647453.db2.gz CBXNPGAJTVFGPA-XQQFMLRXSA-N 2 1 253.390 0.975 10 0 CCAEMP CN(C)C[C@H]1CCC[N@@H+]1CCN1CCC[NH2+]CC1 ZINC000061652374 521869513 /nfs/dbraw/zinc/86/95/13/521869513.db2.gz WPZKPJSEWKVZSA-CQSZACIVSA-N 2 1 254.422 0.308 10 0 CCAEMP CN(C)C[C@H]1CCC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061652374 521869519 /nfs/dbraw/zinc/86/95/19/521869519.db2.gz WPZKPJSEWKVZSA-CQSZACIVSA-N 2 1 254.422 0.308 10 0 CCAEMP CN(C(=O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000049305072 523826857 /nfs/dbraw/zinc/82/68/57/523826857.db2.gz FMMWJJBMIDPFPF-NSHDSACASA-N 2 1 251.374 0.681 10 0 CCAEMP CN(C(=O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000049305072 523826861 /nfs/dbraw/zinc/82/68/61/523826861.db2.gz FMMWJJBMIDPFPF-NSHDSACASA-N 2 1 251.374 0.681 10 0 CCAEMP C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]23)[NH2+]1 ZINC000049570479 524348931 /nfs/dbraw/zinc/34/89/31/524348931.db2.gz CWPSCTOEQWPMMQ-FDYHWXHSSA-N 2 1 251.374 0.870 10 0 CCAEMP O[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]12)C[NH+]1CCCC1 ZINC000049567639 526282741 /nfs/dbraw/zinc/28/27/41/526282741.db2.gz UJRHMOSBUTYGJH-HZSPNIEDSA-N 2 1 253.390 0.269 10 0 CCAEMP [NH3+]CCCCC[NH+]1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000062775086 527174049 /nfs/dbraw/zinc/17/40/49/527174049.db2.gz XPZWDOAGIJIASI-UHFFFAOYSA-N 2 1 265.361 0.297 10 0 CCAEMP [NH3+]CCCCC[NH+]1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000062775086 527174052 /nfs/dbraw/zinc/17/40/52/527174052.db2.gz XPZWDOAGIJIASI-UHFFFAOYSA-N 2 1 265.361 0.297 10 0 CCAEMP OC[C@@H]1CCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183322 527591252 /nfs/dbraw/zinc/59/12/52/527591252.db2.gz QWWLATVHEUHXEN-AWEZNQCLSA-N 2 1 268.401 0.992 10 0 CCAEMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252864576 534968095 /nfs/dbraw/zinc/96/80/95/534968095.db2.gz PFRQLSNSSGFSNY-RWMBFGLXSA-N 2 1 253.390 0.912 10 0 CCAEMP C[N@H+]1CC[C@](N)(c2nc(-c3ccn4c[nH+]cc4c3)no2)C1 ZINC000888078008 616454800 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/nfs/dbraw/zinc/83/54/55/350835455.db2.gz HCPIRILESZEHJL-NSHDSACASA-N 2 1 262.357 0.822 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000221671947 351979586 /nfs/dbraw/zinc/97/95/86/351979586.db2.gz HPWLDCUNBPDVSQ-CHWSQXEVSA-N 2 1 269.389 0.354 10 0 CCAEMP C[C@@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000226399412 352026070 /nfs/dbraw/zinc/02/60/70/352026070.db2.gz MEODCTZJRHIRNJ-LBPRGKRZSA-N 2 1 282.432 0.269 10 0 CCAEMP CC(C)(C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000226806791 352035041 /nfs/dbraw/zinc/03/50/41/352035041.db2.gz BXMNAERMSBBWFB-KBPBESRZSA-N 2 1 294.443 0.413 10 0 CCAEMP CN1CCN(c2cc[nH+]cc2Br)[C@@H](C[NH3+])C1 ZINC000229262285 352089820 /nfs/dbraw/zinc/08/98/20/352089820.db2.gz YKFSGKDRUURHBW-VIFPVBQESA-N 2 1 285.189 0.923 10 0 CCAEMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1COCC[NH2+]1 ZINC000238024498 352294670 /nfs/dbraw/zinc/29/46/70/352294670.db2.gz VFDYNMQOQLARFH-CYBMUJFWSA-N 2 1 269.389 0.357 10 0 CCAEMP 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C[C@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1C[NH3+] ZINC000631843241 370707881 /nfs/dbraw/zinc/70/78/81/370707881.db2.gz LEBOFSXCSAIZAX-NWDGAFQWSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1C[NH3+] ZINC000631843241 370707885 /nfs/dbraw/zinc/70/78/85/370707885.db2.gz LEBOFSXCSAIZAX-NWDGAFQWSA-N 2 1 253.390 0.962 10 0 CCAEMP O=C(N1CC[NH+](C2CC2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765431 372212145 /nfs/dbraw/zinc/21/21/45/372212145.db2.gz SIHVUTGBEPNJBH-WFASDCNBSA-N 2 1 263.385 0.683 10 0 CCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767216 372214621 /nfs/dbraw/zinc/21/46/21/372214621.db2.gz NOBJFDARQINFKW-JSGCOSHPSA-N 2 1 253.390 0.833 10 0 CCAEMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333467914 205344264 /nfs/dbraw/zinc/34/42/64/205344264.db2.gz ALETUKNDJLKSOV-CYBMUJFWSA-N 2 1 298.431 0.348 10 0 CCAEMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333467914 205344266 /nfs/dbraw/zinc/34/42/66/205344266.db2.gz ALETUKNDJLKSOV-CYBMUJFWSA-N 2 1 298.431 0.348 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638081315 374639000 /nfs/dbraw/zinc/63/90/00/374639000.db2.gz XQJRBOWDTUZDIF-OUCADQQQSA-N 2 1 269.389 0.354 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638109292 374675342 /nfs/dbraw/zinc/67/53/42/374675342.db2.gz TUDLYLFIIQNSTK-NFAWXSAZSA-N 2 1 283.416 0.696 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638114887 374680386 /nfs/dbraw/zinc/68/03/86/374680386.db2.gz CKJPKIRLZAYBGX-MBNYWOFBSA-N 2 1 267.373 0.060 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638114975 374680632 /nfs/dbraw/zinc/68/06/32/374680632.db2.gz DNTSAMDYTDRXFW-DGCLKSJQSA-N 2 1 251.374 0.681 10 0 CCAEMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CO1 ZINC000657325033 412961295 /nfs/dbraw/zinc/96/12/95/412961295.db2.gz FMTJYHXPOZKWAY-MGPQQGTHSA-N 2 1 256.390 0.990 10 0 CCAEMP COC[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043328 285204195 /nfs/dbraw/zinc/20/41/95/285204195.db2.gz GASGIQCNPZWSLG-TZMCWYRMSA-N 2 1 283.416 0.696 10 0 CCAEMP COC[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043328 285204197 /nfs/dbraw/zinc/20/41/97/285204197.db2.gz GASGIQCNPZWSLG-TZMCWYRMSA-N 2 1 283.416 0.696 10 0 CCAEMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000194179300 389090620 /nfs/dbraw/zinc/09/06/20/389090620.db2.gz XJTZHEAQRHWAQO-ZDUSSCGKSA-N 2 1 268.405 0.818 10 0 CCAEMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000194179300 389090624 /nfs/dbraw/zinc/09/06/24/389090624.db2.gz XJTZHEAQRHWAQO-ZDUSSCGKSA-N 2 1 268.405 0.818 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245443392 389208550 /nfs/dbraw/zinc/20/85/50/389208550.db2.gz XCVAHNSMNGZYAO-STQMWFEESA-N 2 1 271.405 0.242 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245443392 389208552 /nfs/dbraw/zinc/20/85/52/389208552.db2.gz XCVAHNSMNGZYAO-STQMWFEESA-N 2 1 271.405 0.242 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@H+]1C[C@H](C)O ZINC000245564290 389213353 /nfs/dbraw/zinc/21/33/53/389213353.db2.gz WGFQBPBHBIOOQJ-WCQYABFASA-N 2 1 269.389 0.042 10 0 CCAEMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000335839729 389611423 /nfs/dbraw/zinc/61/14/23/389611423.db2.gz XRDUFFAFKXTVAW-QWHCGFSZSA-N 2 1 251.374 0.777 10 0 CCAEMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000335839729 389611426 /nfs/dbraw/zinc/61/14/26/389611426.db2.gz XRDUFFAFKXTVAW-QWHCGFSZSA-N 2 1 251.374 0.777 10 0 CCAEMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335839729 389611430 /nfs/dbraw/zinc/61/14/30/389611430.db2.gz XRDUFFAFKXTVAW-QWHCGFSZSA-N 2 1 251.374 0.777 10 0 CCAEMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335839729 389611434 /nfs/dbraw/zinc/61/14/34/389611434.db2.gz XRDUFFAFKXTVAW-QWHCGFSZSA-N 2 1 251.374 0.777 10 0 CCAEMP COC[C@@]1(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000649299064 390558519 /nfs/dbraw/zinc/55/85/19/390558519.db2.gz WTVRGBVAFFVIJB-UKRRQHHQSA-N 2 1 283.416 0.555 10 0 CCAEMP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649308104 390568254 /nfs/dbraw/zinc/56/82/54/390568254.db2.gz KGBMVIRNEYZNCP-SMDDNHRTSA-N 2 1 267.373 0.108 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649337544 390593445 /nfs/dbraw/zinc/59/34/45/390593445.db2.gz SQOPZQAZHXVMNK-MGPQQGTHSA-N 2 1 281.400 0.308 10 0 CCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000572401112 390781561 /nfs/dbraw/zinc/78/15/61/390781561.db2.gz TWKYXMIIAPCSGU-AVGNSLFASA-N 2 1 251.374 0.539 10 0 CCAEMP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)C[NH+]1CCCCC1 ZINC000088371246 286874140 /nfs/dbraw/zinc/87/41/40/286874140.db2.gz PJRYWNKZUQGZPC-QWHCGFSZSA-N 2 1 269.389 0.213 10 0 CCAEMP CC(C)(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000129653986 411720847 /nfs/dbraw/zinc/72/08/47/411720847.db2.gz BEETWNQYWKFORL-CQSZACIVSA-N 2 1 294.443 0.367 10 0 CCAEMP CC(C)(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000129653986 411720850 /nfs/dbraw/zinc/72/08/50/411720850.db2.gz BEETWNQYWKFORL-CQSZACIVSA-N 2 1 294.443 0.367 10 0 CCAEMP CCC[NH+]1CCC(C[NH3+])(N2CCC[N@@H+](C)CC2)CC1 ZINC000020217749 171079752 /nfs/dbraw/zinc/07/97/52/171079752.db2.gz RMBFDRQFYHQDCR-UHFFFAOYSA-N 3 1 268.449 0.827 10 0 CCAEMP [NH3+]C[C@H](c1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000020225646 171088136 /nfs/dbraw/zinc/08/81/36/171088136.db2.gz KPGUMFYXUJZROR-CQSZACIVSA-N 2 1 267.348 0.435 10 0 CCAEMP C[C@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(O)CC1 ZINC000022218622 171376608 /nfs/dbraw/zinc/37/66/08/171376608.db2.gz BEAPQYMOWXWBNI-LLVKDONJSA-N 2 1 277.368 0.929 10 0 CCAEMP CC[NH+]1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000038098186 174113648 /nfs/dbraw/zinc/11/36/48/174113648.db2.gz VGNMBFILDUAVGG-UHFFFAOYSA-N 2 1 254.378 0.603 10 0 CCAEMP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000038100739 174115551 /nfs/dbraw/zinc/11/55/51/174115551.db2.gz OVSKGIKHMXDBNP-LBPRGKRZSA-N 2 1 271.430 0.982 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264143 414702422 /nfs/dbraw/zinc/70/24/22/414702422.db2.gz RLQZXRCZYZTPQP-KGLIPLIRSA-N 2 1 267.417 0.924 10 0 CCAEMP CCN1CCC[C@@H]1C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264143 414702423 /nfs/dbraw/zinc/70/24/23/414702423.db2.gz RLQZXRCZYZTPQP-KGLIPLIRSA-N 2 1 267.417 0.924 10 0 CCAEMP CCN1CCC[C@@H]1C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264143 414702424 /nfs/dbraw/zinc/70/24/24/414702424.db2.gz RLQZXRCZYZTPQP-KGLIPLIRSA-N 2 1 267.417 0.924 10 0 CCAEMP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000662263224 414702557 /nfs/dbraw/zinc/70/25/57/414702557.db2.gz LKLHROWSWRSJIZ-CHWSQXEVSA-N 2 1 251.374 0.287 10 0 CCAEMP COCC[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H](C)C1CC1 ZINC000044415380 175172748 /nfs/dbraw/zinc/17/27/48/175172748.db2.gz ZIQTYLBVWNWXKR-LBPRGKRZSA-N 2 1 269.389 0.165 10 0 CCAEMP C[NH+](C)CCC[N@H+]1CC[C@H](CN2CC[NH2+]CC2)C1 ZINC000071575943 176203250 /nfs/dbraw/zinc/20/32/50/176203250.db2.gz JNLOMOHCXNFITI-AWEZNQCLSA-N 3 1 254.422 0.165 10 0 CCAEMP CN(C)CCC[N@@H+]1CC[C@H](CN2CC[NH2+]CC2)C1 ZINC000071575943 176203251 /nfs/dbraw/zinc/20/32/51/176203251.db2.gz JNLOMOHCXNFITI-AWEZNQCLSA-N 2 1 254.422 0.165 10 0 CCAEMP CN(C)CCC[N@H+]1CC[C@H](CN2CC[NH2+]CC2)C1 ZINC000071575943 176203253 /nfs/dbraw/zinc/20/32/53/176203253.db2.gz JNLOMOHCXNFITI-AWEZNQCLSA-N 2 1 254.422 0.165 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000098061760 544556082 /nfs/dbraw/zinc/55/60/82/544556082.db2.gz CWZFKDSDZSZHOC-LBPRGKRZSA-N 2 1 269.389 0.308 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000157873835 544685249 /nfs/dbraw/zinc/68/52/49/544685249.db2.gz GQJWKDCJRLGSNV-FDYHWXHSSA-N 2 1 253.390 0.960 10 0 CCAEMP CC(C)[C@H]([NH3+])CC(=O)NCCC[NH+]1CCOCC1 ZINC000136310355 544637343 /nfs/dbraw/zinc/63/73/43/544637343.db2.gz RMDHSBBTHMTJBA-GFCCVEGCSA-N 2 1 257.378 0.198 10 0 CCAEMP O=C(NC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000333729413 545042500 /nfs/dbraw/zinc/04/25/00/545042500.db2.gz HQDUGFIEVSWYJK-OCCSQVGLSA-N 2 1 280.416 0.912 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000311135160 545012547 /nfs/dbraw/zinc/01/25/47/545012547.db2.gz KGFYVJAGTTVYBE-MCIONIFRSA-N 2 1 257.422 0.569 10 0 CCAEMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000333467915 545039711 /nfs/dbraw/zinc/03/97/11/545039711.db2.gz ALETUKNDJLKSOV-ZDUSSCGKSA-N 2 1 298.431 0.348 10 0 CCAEMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000333467915 545039713 /nfs/dbraw/zinc/03/97/13/545039713.db2.gz ALETUKNDJLKSOV-ZDUSSCGKSA-N 2 1 298.431 0.348 10 0 CCAEMP CC(C)C[C@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000085370887 279160944 /nfs/dbraw/zinc/16/09/44/279160944.db2.gz VHYOXMAVGXYYJO-ILXRZTDVSA-N 2 1 297.443 0.977 10 0 CCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(C[NH3+])cc2)cn1 ZINC000181355709 279347425 /nfs/dbraw/zinc/34/74/25/279347425.db2.gz JTPHXCFUJYJZQJ-HNNXBMFYSA-N 2 1 299.378 0.666 10 0 CCAEMP CC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000178775068 280345357 /nfs/dbraw/zinc/34/53/57/280345357.db2.gz JQNIFAVDQARWIH-CHWSQXEVSA-N 2 1 283.416 0.562 10 0 CCAEMP C[NH+](C)C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000245704266 289217849 /nfs/dbraw/zinc/21/78/49/289217849.db2.gz YBXSXQNMWFETMC-KBPBESRZSA-N 2 1 255.406 0.733 10 0 CCAEMP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000334155721 295245626 /nfs/dbraw/zinc/24/56/26/295245626.db2.gz WDKXUJYADDMCEP-UWVGGRQHSA-N 2 1 261.316 0.571 10 0 CCAEMP C[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043164 300342303 /nfs/dbraw/zinc/34/23/03/300342303.db2.gz UBPOFBUDCLUPTI-GXTWGEPZSA-N 2 1 281.400 0.450 10 0 CCAEMP C[C@H]1COCCN1C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043164 300342306 /nfs/dbraw/zinc/34/23/06/300342306.db2.gz UBPOFBUDCLUPTI-GXTWGEPZSA-N 2 1 281.400 0.450 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@@H+]2CCOC(C)(C)C2)nn1 ZINC000052481825 522142598 /nfs/dbraw/zinc/14/25/98/522142598.db2.gz GHTJCHORXXTMDD-UHFFFAOYSA-N 2 1 253.350 0.108 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@H+]2CCOC(C)(C)C2)nn1 ZINC000052481825 522142613 /nfs/dbraw/zinc/14/26/13/522142613.db2.gz GHTJCHORXXTMDD-UHFFFAOYSA-N 2 1 253.350 0.108 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000055124619 521668168 /nfs/dbraw/zinc/66/81/68/521668168.db2.gz FXQOQYQPNNUJBS-JHJVBQTASA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C[C@@H]1[NH3+] ZINC000055130374 524383034 /nfs/dbraw/zinc/38/30/34/524383034.db2.gz ARKZBTSNEZUQOS-CYDGBPFRSA-N 2 1 253.390 0.818 10 0 CCAEMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055136286 524769385 /nfs/dbraw/zinc/76/93/85/524769385.db2.gz WCENWYOSIQNWPH-RVMXOQNASA-N 2 1 253.390 0.960 10 0 CCAEMP O=C(NC1CCC1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000052211049 527502114 /nfs/dbraw/zinc/50/21/14/527502114.db2.gz JVHPXAPJXUHWQH-ZDUSSCGKSA-N 2 1 251.374 0.872 10 0 CCAEMP O=C(NC1CCC1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000052211049 527502125 /nfs/dbraw/zinc/50/21/25/527502125.db2.gz JVHPXAPJXUHWQH-ZDUSSCGKSA-N 2 1 251.374 0.872 10 0 CCAEMP [NH3+]C[C@@]1([C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000669377316 545206056 /nfs/dbraw/zinc/20/60/56/545206056.db2.gz MGLYWXSENOHVKE-JKSUJKDBSA-N 2 1 276.380 0.989 10 0 CCAEMP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263309640 535460931 /nfs/dbraw/zinc/46/09/31/535460931.db2.gz YJOHGHMHGSFRNJ-GXTWGEPZSA-N 2 1 250.342 0.755 10 0 CCAEMP CCCn1nc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000263204776 535624141 /nfs/dbraw/zinc/62/41/41/535624141.db2.gz JOYGBHGQNUQVAN-JSGCOSHPSA-N 2 1 266.389 0.580 10 0 CCAEMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261906173 535678379 /nfs/dbraw/zinc/67/83/79/535678379.db2.gz WXKUCBNJOLLFFT-HUUCEWRRSA-N 2 1 296.459 0.600 10 0 CCAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311850549 536353113 /nfs/dbraw/zinc/35/31/13/536353113.db2.gz OOBYGLOJVPDVNF-OCCSQVGLSA-N 2 1 269.389 0.173 10 0 CCAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311850549 536353117 /nfs/dbraw/zinc/35/31/17/536353117.db2.gz OOBYGLOJVPDVNF-OCCSQVGLSA-N 2 1 269.389 0.173 10 0 CCAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311850549 536353120 /nfs/dbraw/zinc/35/31/20/536353120.db2.gz OOBYGLOJVPDVNF-OCCSQVGLSA-N 2 1 269.389 0.173 10 0 CCAEMP CC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126876 613673890 /nfs/dbraw/zinc/67/38/90/613673890.db2.gz IGYLVNQQWIFJGJ-CYBMUJFWSA-N 2 1 256.390 0.990 10 0 CCAEMP CC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106126875 613673977 /nfs/dbraw/zinc/67/39/77/613673977.db2.gz IGYLVNQQWIFJGJ-ZDUSSCGKSA-N 2 1 256.390 0.990 10 0 CCAEMP CO[C@@H](C[NH3+])C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000261543405 631381113 /nfs/dbraw/zinc/38/11/13/631381113.db2.gz HSUMJAFJGPXWDO-OCCSQVGLSA-N 2 1 279.384 0.597 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000251785537 649819016 /nfs/dbraw/zinc/81/90/16/649819016.db2.gz NDSDUHPTUMWIQV-WXHSDQCUSA-N 2 1 251.374 0.809 10 0 CCAEMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000262433348 137043279 /nfs/dbraw/zinc/04/32/79/137043279.db2.gz UCDFRCWOICXEBG-NWDGAFQWSA-N 2 1 253.390 0.833 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000262174664 137029204 /nfs/dbraw/zinc/02/92/04/137029204.db2.gz VPCWLEZNJNEMJX-SWLSCSKDSA-N 2 1 272.352 0.747 10 0 CCAEMP O=C(NCC[N@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000262262679 137033534 /nfs/dbraw/zinc/03/35/34/137033534.db2.gz RHJWWNAFGNUYCB-UHFFFAOYSA-N 2 1 259.353 0.380 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2cccs2)n1 ZINC000263251167 137061901 /nfs/dbraw/zinc/06/19/01/137061901.db2.gz PZGGSMGYYPCMJC-PWSUYJOCSA-N 2 1 292.408 0.819 10 0 CCAEMP C[C@@H](CNC(=O)C1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000263227262 137060737 /nfs/dbraw/zinc/06/07/37/137060737.db2.gz AHCUSYPJZWNFNS-LBPRGKRZSA-N 2 1 273.380 0.769 10 0 CCAEMP CO[C@H]1C[C@@H](CO)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000344697800 137208656 /nfs/dbraw/zinc/20/86/56/137208656.db2.gz CEECPOJBDRZKLW-STQMWFEESA-N 2 1 253.346 0.663 10 0 CCAEMP CO[C@H]1C[C@@H](CO)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000344697800 137208657 /nfs/dbraw/zinc/20/86/57/137208657.db2.gz CEECPOJBDRZKLW-STQMWFEESA-N 2 1 253.346 0.663 10 0 CCAEMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000037901348 348217662 /nfs/dbraw/zinc/21/76/62/348217662.db2.gz ZGWVZZDQRQKPBJ-KBPBESRZSA-N 2 1 283.416 0.480 10 0 CCAEMP CC(C)(C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000129626042 350218751 /nfs/dbraw/zinc/21/87/51/350218751.db2.gz BXMNAERMSBBWFB-UONOGXRCSA-N 2 1 294.443 0.413 10 0 CCAEMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105180060 186044972 /nfs/dbraw/zinc/04/49/72/186044972.db2.gz ZMPWOGFEQNMRAA-ZIAGYGMSSA-N 2 1 298.431 0.348 10 0 CCAEMP C[C@H](C(N)=O)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875534 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CCAEMP C[C@H]1C[N@H+](CC(=O)N2CCN(C)CC2)CCS1 ZINC000180473556 389670986 /nfs/dbraw/zinc/67/09/86/389670986.db2.gz GGQWWBIZAPPSPL-NSHDSACASA-N 2 1 257.403 0.198 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)CCS1 ZINC000180473556 389670989 /nfs/dbraw/zinc/67/09/89/389670989.db2.gz GGQWWBIZAPPSPL-NSHDSACASA-N 2 1 257.403 0.198 10 0 CCAEMP CO[C@H](C)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000182138724 389701617 /nfs/dbraw/zinc/70/16/17/389701617.db2.gz AGBKADCSIBFODF-CVEARBPZSA-N 2 1 299.459 0.748 10 0 CCAEMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649297734 390557640 /nfs/dbraw/zinc/55/76/40/390557640.db2.gz UKFHBEFTVISGQN-GUTXKFCHSA-N 2 1 281.400 0.498 10 0 CCAEMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000252153930 131133761 /nfs/dbraw/zinc/13/37/61/131133761.db2.gz MYZKZCTYYYCOSM-CHWSQXEVSA-N 2 1 269.389 0.356 10 0 CCAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000252153930 131133762 /nfs/dbraw/zinc/13/37/62/131133762.db2.gz 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CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000662844802 414836349 /nfs/dbraw/zinc/83/63/49/414836349.db2.gz BFCFPUIWMXLYCN-VXGBXAGGSA-N 2 1 269.389 0.211 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000662844802 414836352 /nfs/dbraw/zinc/83/63/52/414836352.db2.gz BFCFPUIWMXLYCN-VXGBXAGGSA-N 2 1 269.389 0.211 10 0 CCAEMP CC[NH2+][C@](C)(CCN(C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071191025 176068286 /nfs/dbraw/zinc/06/82/86/176068286.db2.gz KXWWIVYHAQOSHQ-TZMCWYRMSA-N 2 1 270.421 0.114 10 0 CCAEMP CC[N@H+](CC(=O)NC)Cc1ccc(F)cc1C[NH3+] ZINC000071250498 176095119 /nfs/dbraw/zinc/09/51/19/176095119.db2.gz LYDKQRPIMWEHFU-UHFFFAOYSA-N 2 1 253.321 0.852 10 0 CCAEMP CC[N@@H+](CC(=O)NC)Cc1ccc(F)cc1C[NH3+] ZINC000071250498 176095120 /nfs/dbraw/zinc/09/51/20/176095120.db2.gz LYDKQRPIMWEHFU-UHFFFAOYSA-N 2 1 253.321 0.852 10 0 CCAEMP CN(C)c1nc(NCC2([NH3+])CCOCC2)cc[nH+]1 ZINC000630523739 419460812 /nfs/dbraw/zinc/46/08/12/419460812.db2.gz BFFCXHNIZIMAQD-UHFFFAOYSA-N 2 1 251.334 0.462 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000235288008 544873894 /nfs/dbraw/zinc/87/38/94/544873894.db2.gz JQWBNCXXCRCHAY-RKFYDKJMSA-N 2 1 265.401 0.973 10 0 CCAEMP CCN1CCO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250200853 544921769 /nfs/dbraw/zinc/92/17/69/544921769.db2.gz BJRCVJBQMOESAL-QLFBSQMISA-N 2 1 267.417 0.924 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000252920171 544931270 /nfs/dbraw/zinc/93/12/70/544931270.db2.gz FKEYTZJJXPOGBN-RYUDHWBXSA-N 2 1 267.373 0.060 10 0 CCAEMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N3CCOCC3)C2)CC[NH2+]1 ZINC000300137435 544979703 /nfs/dbraw/zinc/97/97/03/544979703.db2.gz IUCFWYKYTUZMOO-RBSFLKMASA-N 2 1 267.417 0.781 10 0 CCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333899586 278100260 /nfs/dbraw/zinc/10/02/60/278100260.db2.gz ZNQYGCSHWOFFSM-KWCYVHTRSA-N 2 1 296.415 0.228 10 0 CCAEMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000336221793 279166168 /nfs/dbraw/zinc/16/61/68/279166168.db2.gz HFOHYQFBRNHPSV-TZMCWYRMSA-N 2 1 271.380 0.926 10 0 CCAEMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000238010491 280144882 /nfs/dbraw/zinc/14/48/82/280144882.db2.gz CDCWWQDOVNCTDE-ZIAGYGMSSA-N 2 1 281.400 0.452 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000174070655 280207177 /nfs/dbraw/zinc/20/71/77/280207177.db2.gz FAHGYEFMXVWTOC-OAHLLOKOSA-N 2 1 285.432 0.097 10 0 CCAEMP COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049557586 523345078 /nfs/dbraw/zinc/34/50/78/523345078.db2.gz PWDADPWBYLWGHM-VXGBXAGGSA-N 2 1 259.394 0.457 10 0 CCAEMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000381166831 327134669 /nfs/dbraw/zinc/13/46/69/327134669.db2.gz URDKFGCSLDCMCK-ZIAGYGMSSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000381166831 327134671 /nfs/dbraw/zinc/13/46/71/327134671.db2.gz URDKFGCSLDCMCK-ZIAGYGMSSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000381166831 327134673 /nfs/dbraw/zinc/13/46/73/327134673.db2.gz URDKFGCSLDCMCK-ZIAGYGMSSA-N 2 1 255.406 0.469 10 0 CCAEMP CCc1nnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1C ZINC000581549078 336100617 /nfs/dbraw/zinc/10/06/17/336100617.db2.gz QOCZXZGQUMNXEN-TXEJJXNPSA-N 2 1 263.389 0.809 10 0 CCAEMP CCCN1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052422007 519858533 /nfs/dbraw/zinc/85/85/33/519858533.db2.gz RBQLVLNPMOHUEG-ZIAGYGMSSA-N 2 1 255.406 0.781 10 0 CCAEMP COC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151350323 522355629 /nfs/dbraw/zinc/35/56/29/522355629.db2.gz HFTHFAARUYHEQW-ZIAGYGMSSA-N 2 1 256.390 0.848 10 0 CCAEMP C[NH2+][C@H](CC[N@@H+]1CC[C@H](c2ccccc2)C1)C(N)=O ZINC000062530899 522460674 /nfs/dbraw/zinc/46/06/74/522460674.db2.gz DPZUNAWRLCXWHX-UONOGXRCSA-N 2 1 261.369 0.939 10 0 CCAEMP C[NH2+][C@H](CC[N@H+]1CC[C@H](c2ccccc2)C1)C(N)=O ZINC000062530899 522460681 /nfs/dbraw/zinc/46/06/81/522460681.db2.gz DPZUNAWRLCXWHX-UONOGXRCSA-N 2 1 261.369 0.939 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCC[NH3+])C1 ZINC000049204344 521624487 /nfs/dbraw/zinc/62/44/87/521624487.db2.gz LIEWECXUJJCENG-LLVKDONJSA-N 2 1 263.407 0.129 10 0 CCAEMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1C ZINC000157848008 524799733 /nfs/dbraw/zinc/79/97/33/524799733.db2.gz UIYFQJSWQRUVJT-YFKTTZPYSA-N 2 1 255.362 0.092 10 0 CCAEMP [NH3+]CCN1CCC[N@@H+](CCCn2ccnc2)CC1 ZINC000049327458 527185768 /nfs/dbraw/zinc/18/57/68/527185768.db2.gz GENHOBUUTLXQEM-UHFFFAOYSA-N 2 1 251.378 0.240 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000310667884 623438291 /nfs/dbraw/zinc/43/82/91/623438291.db2.gz FKHQXKICPSQGEP-KGYLQXTDSA-N 2 1 251.374 0.809 10 0 CCAEMP Cc1nnc(COC2C[NH+](CC3CC[NH+](C)CC3)C2)o1 ZINC000895069279 631919370 /nfs/dbraw/zinc/91/93/70/631919370.db2.gz KGQXIGWCWFATSK-UHFFFAOYSA-N 2 1 280.372 0.921 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000223937141 636912702 /nfs/dbraw/zinc/91/27/02/636912702.db2.gz DWSTZBLZXXIPGV-HZSPNIEDSA-N 2 1 253.390 0.248 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CCOC ZINC000092629886 649725688 /nfs/dbraw/zinc/72/56/88/649725688.db2.gz IJUBGNROTYQVFB-NWDGAFQWSA-N 2 1 257.378 0.293 10 0 CCAEMP C[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000105080006 349720163 /nfs/dbraw/zinc/72/01/63/349720163.db2.gz UKGMPZZKSLXSMB-UHFFFAOYSA-N 2 1 266.389 0.570 10 0 CCAEMP CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845855 349725203 /nfs/dbraw/zinc/72/52/03/349725203.db2.gz SGYADYMDGGRTTR-CQSZACIVSA-N 2 1 255.406 0.733 10 0 CCAEMP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000105269530 349721959 /nfs/dbraw/zinc/72/19/59/349721959.db2.gz NJAMLIJDTHDSAZ-DGCLKSJQSA-N 2 1 268.405 0.815 10 0 CCAEMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000105903622 349727198 /nfs/dbraw/zinc/72/71/98/349727198.db2.gz TXCVMANNPHWNJO-UHFFFAOYSA-N 2 1 293.371 0.260 10 0 CCAEMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000358249641 529809584 /nfs/dbraw/zinc/80/95/84/529809584.db2.gz KRECWCBCOLLPTN-NMKXLXIOSA-N 2 1 254.374 0.456 10 0 CCAEMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000358249641 529809585 /nfs/dbraw/zinc/80/95/85/529809585.db2.gz KRECWCBCOLLPTN-NMKXLXIOSA-N 2 1 254.374 0.456 10 0 CCAEMP CCCC[NH+]1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088358212 136796736 /nfs/dbraw/zinc/79/67/36/136796736.db2.gz PYZFLKHFHYTVQG-CYBMUJFWSA-N 2 1 269.389 0.356 10 0 CCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262366132 137040644 /nfs/dbraw/zinc/04/06/44/137040644.db2.gz JJYGAUMHTZDQPF-MELADBBJSA-N 2 1 283.416 0.290 10 0 CCAEMP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262277720 137034915 /nfs/dbraw/zinc/03/49/15/137034915.db2.gz LHKBLRVJVGTEBW-STQMWFEESA-N 2 1 269.389 0.341 10 0 CCAEMP COCCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263222150 137060729 /nfs/dbraw/zinc/06/07/29/137060729.db2.gz MBEXHPFENDVFDY-UKRRQHHQSA-N 2 1 280.368 0.382 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000263240588 137061107 /nfs/dbraw/zinc/06/11/07/137061107.db2.gz OMRBIVZSGDOUFG-VXGBXAGGSA-N 2 1 264.325 0.128 10 0 CCAEMP C=CCNc1nc(N2CC[NH2+]CC2)nc(NCC=C)[nH+]1 ZINC000039434982 348230166 /nfs/dbraw/zinc/23/01/66/348230166.db2.gz FNVNGOUAGLMNNB-UHFFFAOYSA-N 2 1 275.360 0.477 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290347 348548120 /nfs/dbraw/zinc/54/81/20/348548120.db2.gz VGLGBLYDXFNCBR-STQMWFEESA-N 2 1 253.390 0.977 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000083704061 349309981 /nfs/dbraw/zinc/30/99/81/349309981.db2.gz PSNCRBOWNGNBOK-XQQFMLRXSA-N 2 1 251.374 0.824 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000167889396 350815557 /nfs/dbraw/zinc/81/55/57/350815557.db2.gz NHKCYNGWOHDIRP-CYBMUJFWSA-N 2 1 271.405 0.539 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000168420912 350825618 /nfs/dbraw/zinc/82/56/18/350825618.db2.gz LXGBKIYREUDZHF-AAEUAGOBSA-N 2 1 257.353 0.631 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000178746586 351243621 /nfs/dbraw/zinc/24/36/21/351243621.db2.gz PDCSPAWHKPFYJL-GFCCVEGCSA-N 2 1 291.355 0.208 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000178746586 351243626 /nfs/dbraw/zinc/24/36/26/351243626.db2.gz PDCSPAWHKPFYJL-GFCCVEGCSA-N 2 1 291.355 0.208 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc[nH]2)CC1 ZINC000179516393 351269593 /nfs/dbraw/zinc/26/95/93/351269593.db2.gz WNZWIPOUYQPVAA-LBPRGKRZSA-N 2 1 266.389 0.934 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]cn2)CC1 ZINC000179516393 351269599 /nfs/dbraw/zinc/26/95/99/351269599.db2.gz WNZWIPOUYQPVAA-LBPRGKRZSA-N 2 1 266.389 0.934 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c[nH]cn2)CC1 ZINC000179516393 351269603 /nfs/dbraw/zinc/26/96/03/351269603.db2.gz WNZWIPOUYQPVAA-LBPRGKRZSA-N 2 1 266.389 0.934 10 0 CCAEMP CCC[C@@H](C(=O)N[C@H](C)CCN1CC[NH+](C)CC1)[NH+](C)C ZINC000184077897 351401719 /nfs/dbraw/zinc/40/17/19/351401719.db2.gz PRSBHUGDQQAHDD-CABCVRRESA-N 2 1 298.475 0.859 10 0 CCAEMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237076922 352241225 /nfs/dbraw/zinc/24/12/25/352241225.db2.gz XNJJZUSDQLUODS-OLZOCXBDSA-N 2 1 269.389 0.308 10 0 CCAEMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237076922 352241227 /nfs/dbraw/zinc/24/12/27/352241227.db2.gz XNJJZUSDQLUODS-OLZOCXBDSA-N 2 1 269.389 0.308 10 0 CCAEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000237643424 352276979 /nfs/dbraw/zinc/27/69/79/352276979.db2.gz XTXIFFFGKPWWQR-CYBMUJFWSA-N 2 1 285.351 0.801 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250211155 352503591 /nfs/dbraw/zinc/50/35/91/352503591.db2.gz CPRXTYZRPPWGKS-OLZOCXBDSA-N 2 1 253.390 0.977 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000251819471 352511506 /nfs/dbraw/zinc/51/15/06/352511506.db2.gz OWVCZPJWSLVTMW-STQMWFEESA-N 2 1 281.400 0.450 10 0 CCAEMP C[NH+](C)CC(=O)N1CCO[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000328654386 354245976 /nfs/dbraw/zinc/24/59/76/354245976.db2.gz XIWMMPYFDBJDSF-ZDUSSCGKSA-N 2 1 269.389 0.117 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000336811819 355185814 /nfs/dbraw/zinc/18/58/14/355185814.db2.gz OPUWDWQQSVHQNH-BPLDGKMQSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336811819 355185817 /nfs/dbraw/zinc/18/58/17/355185817.db2.gz OPUWDWQQSVHQNH-BPLDGKMQSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336811819 355185818 /nfs/dbraw/zinc/18/58/18/355185818.db2.gz OPUWDWQQSVHQNH-BPLDGKMQSA-N 2 1 267.417 0.610 10 0 CCAEMP C[NH2+]CCOCC[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000629654486 369749101 /nfs/dbraw/zinc/74/91/01/369749101.db2.gz XTMUVPSSKSFQIW-UHFFFAOYSA-N 2 1 270.377 0.405 10 0 CCAEMP C[NH2+]CCOCC[N@@H+](C)Cc1c(C)nn(C)c1OC ZINC000629654486 369749109 /nfs/dbraw/zinc/74/91/09/369749109.db2.gz XTMUVPSSKSFQIW-UHFFFAOYSA-N 2 1 270.377 0.405 10 0 CCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766680 372213821 /nfs/dbraw/zinc/21/38/21/372213821.db2.gz QSQROAZYGWRPRN-IPYPFGDCSA-N 2 1 265.401 0.834 10 0 CCAEMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766681 372214228 /nfs/dbraw/zinc/21/42/28/372214228.db2.gz QSQROAZYGWRPRN-YDHLFZDLSA-N 2 1 265.401 0.834 10 0 CCAEMP Cc1[nH+]ccn1CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766646 372214392 /nfs/dbraw/zinc/21/43/92/372214392.db2.gz PHWUMWQYUSYIDK-JSGCOSHPSA-N 2 1 262.357 0.697 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC[N@H+]1C ZINC000634768525 372216015 /nfs/dbraw/zinc/21/60/15/372216015.db2.gz NQXMFZYDJYJKNO-COMQUAJESA-N 2 1 265.401 0.975 10 0 CCAEMP COc1c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)nn1C ZINC000634998429 372334779 /nfs/dbraw/zinc/33/47/79/372334779.db2.gz FNSDMFYPETVWEQ-MWLCHTKSSA-N 2 1 252.362 0.764 10 0 CCAEMP COc1c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)nn1C ZINC000634998429 372334788 /nfs/dbraw/zinc/33/47/88/372334788.db2.gz FNSDMFYPETVWEQ-MWLCHTKSSA-N 2 1 252.362 0.764 10 0 CCAEMP CC[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CO1 ZINC000657325031 412960841 /nfs/dbraw/zinc/96/08/41/412960841.db2.gz FMTJYHXPOZKWAY-MELADBBJSA-N 2 1 256.390 0.990 10 0 CCAEMP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)CC[N@H+]1C ZINC000247080810 285042582 /nfs/dbraw/zinc/04/25/82/285042582.db2.gz OWJJQEPWRUQMSI-QLFBSQMISA-N 3 1 269.433 0.906 10 0 CCAEMP COCC[NH+]1[C@@H](C)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188974550 285063553 /nfs/dbraw/zinc/06/35/53/285063553.db2.gz PXQLOCSARHKUGR-ZDEQEGDKSA-N 2 1 287.379 0.254 10 0 CCAEMP CSC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249137557 285103957 /nfs/dbraw/zinc/10/39/57/285103957.db2.gz ICDWFCMBJMJLED-GXTWGEPZSA-N 2 1 290.473 0.735 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089459168 285268046 /nfs/dbraw/zinc/26/80/46/285268046.db2.gz DPVLBWQAXFMRDX-FRRDWIJNSA-N 2 1 253.390 0.962 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000193523861 389071705 /nfs/dbraw/zinc/07/17/05/389071705.db2.gz WSSVUQGEQWTLIJ-HTQZYQBOSA-N 2 1 254.359 0.472 10 0 CCAEMP CC(C)NC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862568 389089140 /nfs/dbraw/zinc/08/91/40/389089140.db2.gz FUZQBSHLVKSESI-AWEZNQCLSA-N 2 1 299.459 0.926 10 0 CCAEMP COC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000126665432 389170900 /nfs/dbraw/zinc/17/09/00/389170900.db2.gz HZXOUMMLAPJJPB-GXTWGEPZSA-N 2 1 274.405 0.018 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625809 389214833 /nfs/dbraw/zinc/21/48/33/389214833.db2.gz OYPRYFJTDWXIFC-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625809 389214835 /nfs/dbraw/zinc/21/48/35/389214835.db2.gz OYPRYFJTDWXIFC-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625809 389214836 /nfs/dbraw/zinc/21/48/36/389214836.db2.gz OYPRYFJTDWXIFC-HUUCEWRRSA-N 2 1 267.417 0.877 10 0 CCAEMP O=C(C1C[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000262167256 389282176 /nfs/dbraw/zinc/28/21/76/389282176.db2.gz BWISTQAGUKPFBX-BXUZGUMPSA-N 2 1 263.385 0.681 10 0 CCAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@@H]1[NH3+] ZINC000333121597 389404914 /nfs/dbraw/zinc/40/49/14/389404914.db2.gz AOOJWHFFRURGNG-UZWSLXQKSA-N 2 1 266.389 0.600 10 0 CCAEMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000645781483 390493672 /nfs/dbraw/zinc/49/36/72/390493672.db2.gz PZDPSPPZCUPQJA-NWDGAFQWSA-N 2 1 251.374 0.681 10 0 CCAEMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000645781483 390493675 /nfs/dbraw/zinc/49/36/75/390493675.db2.gz PZDPSPPZCUPQJA-NWDGAFQWSA-N 2 1 251.374 0.681 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649328335 390586098 /nfs/dbraw/zinc/58/60/98/390586098.db2.gz PLWBZLPMYATRAQ-CHWSQXEVSA-N 2 1 269.389 0.165 10 0 CCAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649280796 390548525 /nfs/dbraw/zinc/54/85/25/390548525.db2.gz MDBBWWBEQZIHPN-ZIAGYGMSSA-N 2 1 283.416 0.603 10 0 CCAEMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000649310382 390569699 /nfs/dbraw/zinc/56/96/99/390569699.db2.gz AQWZFPFEMBYMNW-TZMCWYRMSA-N 2 1 269.389 0.213 10 0 CCAEMP C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328645288 411759641 /nfs/dbraw/zinc/75/96/41/411759641.db2.gz ZNZCWHORRMNVQG-NEPJUHHUSA-N 2 1 277.372 0.840 10 0 CCAEMP C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328645288 411759644 /nfs/dbraw/zinc/75/96/44/411759644.db2.gz ZNZCWHORRMNVQG-NEPJUHHUSA-N 2 1 277.372 0.840 10 0 CCAEMP C[C@H](C(=O)NC(N)=O)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC000037299813 173104755 /nfs/dbraw/zinc/10/47/55/173104755.db2.gz YYOUYIFMJYLBSN-SNVBAGLBSA-N 2 1 270.377 0.553 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000662846260 414838705 /nfs/dbraw/zinc/83/87/05/414838705.db2.gz OTDLICIPDHGLIU-LBPRGKRZSA-N 2 1 283.416 0.731 10 0 CCAEMP CN(C)[C@H]1CCC[N@H+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273944 545889424 /nfs/dbraw/zinc/88/94/24/545889424.db2.gz XGHNTDWYUCBKCG-AWEZNQCLSA-N 2 1 254.422 0.436 10 0 CCAEMP C[NH+](C)[C@H]1CCCN(C2CCN(CC[NH3+])CC2)C1 ZINC000725273944 545889429 /nfs/dbraw/zinc/88/94/29/545889429.db2.gz XGHNTDWYUCBKCG-AWEZNQCLSA-N 2 1 254.422 0.436 10 0 CCAEMP O=C(N1CC[N@H+]2CCC[C@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389737 544564627 /nfs/dbraw/zinc/56/46/27/544564627.db2.gz XJRVFXDGUXRCDT-JQWIXIFHSA-N 2 1 291.317 0.835 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136408836 544639002 /nfs/dbraw/zinc/63/90/02/544639002.db2.gz DRKAYOULVRBIPA-ZDUSSCGKSA-N 2 1 271.405 0.541 10 0 CCAEMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262093648 544939238 /nfs/dbraw/zinc/93/92/38/544939238.db2.gz HIMGVKNCCNMMAM-WCQYABFASA-N 2 1 260.341 0.313 10 0 CCAEMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262141956 544942493 /nfs/dbraw/zinc/94/24/93/544942493.db2.gz PURPIEXBRVVIMO-CZUORRHYSA-N 2 1 286.379 0.851 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000311135159 545012257 /nfs/dbraw/zinc/01/22/57/545012257.db2.gz KGFYVJAGTTVYBE-HZSPNIEDSA-N 2 1 257.422 0.569 10 0 CCAEMP c1cc(NC[C@H]2CC[NH2+]C2)nc(N2CCCCC2)[nH+]1 ZINC000333603209 545040571 /nfs/dbraw/zinc/04/05/71/545040571.db2.gz WUHXSHOYMMHGSM-LBPRGKRZSA-N 2 1 261.373 0.910 10 0 CCAEMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C1 ZINC000096957879 277189007 /nfs/dbraw/zinc/18/90/07/277189007.db2.gz XFYAVPDNNNKVPI-WDEREUQCSA-N 2 1 255.362 0.886 10 0 CCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cncn2C)CC1 ZINC000177055368 278395723 /nfs/dbraw/zinc/39/57/23/278395723.db2.gz WJRPKELKUFIZLW-CYBMUJFWSA-N 2 1 280.416 0.945 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000335285717 279293808 /nfs/dbraw/zinc/29/38/08/279293808.db2.gz RTXIUCTZSKTIBZ-NWDGAFQWSA-N 2 1 254.378 0.474 10 0 CCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249125868 279382586 /nfs/dbraw/zinc/38/25/86/279382586.db2.gz QXBGTRVPMMLTQG-TZMCWYRMSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[N@H+]1CCO[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249125868 279382587 /nfs/dbraw/zinc/38/25/87/279382587.db2.gz QXBGTRVPMMLTQG-TZMCWYRMSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106386569 280200552 /nfs/dbraw/zinc/20/05/52/280200552.db2.gz WOLKHJGOWSGCSY-TZMCWYRMSA-N 2 1 258.406 0.782 10 0 CCAEMP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333643027 280362940 /nfs/dbraw/zinc/36/29/40/280362940.db2.gz IOXDFNVWUDEWAE-HZSPNIEDSA-N 2 1 296.415 0.101 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000168071671 280380004 /nfs/dbraw/zinc/38/00/04/280380004.db2.gz VTWUVVPYPVUMHW-OCCSQVGLSA-N 2 1 287.379 0.257 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@H+]1CCOC ZINC000168071671 280380007 /nfs/dbraw/zinc/38/00/07/280380007.db2.gz VTWUVVPYPVUMHW-OCCSQVGLSA-N 2 1 287.379 0.257 10 0 CCAEMP [NH3+]C1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCC1 ZINC000037812783 295201481 /nfs/dbraw/zinc/20/14/81/295201481.db2.gz FDKGJSIVMXNKHA-LBPRGKRZSA-N 2 1 251.374 0.955 10 0 CCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCCC1 ZINC000037812783 295201485 /nfs/dbraw/zinc/20/14/85/295201485.db2.gz FDKGJSIVMXNKHA-LBPRGKRZSA-N 2 1 251.374 0.955 10 0 CCAEMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCCC[NH2+]1 ZINC000394377361 545088024 /nfs/dbraw/zinc/08/80/24/545088024.db2.gz CPFQCGXDMICVHF-DZGCQCFKSA-N 2 1 280.416 0.025 10 0 CCAEMP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000053012447 519744967 /nfs/dbraw/zinc/74/49/67/519744967.db2.gz MXGJVIPEIRWTRA-HNNXBMFYSA-N 2 1 269.433 0.886 10 0 CCAEMP COCC[NH2+]Cc1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000062738605 523945713 /nfs/dbraw/zinc/94/57/13/523945713.db2.gz GLGQFHAXOKTIKJ-UHFFFAOYSA-N 2 1 263.345 0.959 10 0 CCAEMP OCC[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000399016280 581207042 /nfs/dbraw/zinc/20/70/42/581207042.db2.gz DHLHUUZNZZXSCJ-GJZGRUSLSA-N 2 1 267.417 0.660 10 0 CCAEMP OCCN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000399016280 581207043 /nfs/dbraw/zinc/20/70/43/581207043.db2.gz DHLHUUZNZZXSCJ-GJZGRUSLSA-N 2 1 267.417 0.660 10 0 CCAEMP OCCN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000399016280 581207044 /nfs/dbraw/zinc/20/70/44/581207044.db2.gz DHLHUUZNZZXSCJ-GJZGRUSLSA-N 2 1 267.417 0.660 10 0 CCAEMP CC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000166031834 636916061 /nfs/dbraw/zinc/91/60/61/636916061.db2.gz MGHIPRZJIXJAQY-LBPRGKRZSA-N 2 1 271.405 0.602 10 0 CCAEMP CC[N@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000166031834 636916066 /nfs/dbraw/zinc/91/60/66/636916066.db2.gz MGHIPRZJIXJAQY-LBPRGKRZSA-N 2 1 271.405 0.602 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455249 637026774 /nfs/dbraw/zinc/02/67/74/637026774.db2.gz CKSYNRSNVGOOPF-TUAOUCFPSA-N 2 1 255.362 0.045 10 0 CCAEMP C(Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685593 649709715 /nfs/dbraw/zinc/70/97/15/649709715.db2.gz ZQZSPVVTYMUOMG-NWDGAFQWSA-N 2 1 278.356 0.900 10 0 CCAEMP C(Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685593 649709716 /nfs/dbraw/zinc/70/97/16/649709716.db2.gz ZQZSPVVTYMUOMG-NWDGAFQWSA-N 2 1 278.356 0.900 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092957604 349515476 /nfs/dbraw/zinc/51/54/76/349515476.db2.gz MHXNRLRSBODUSD-JHJVBQTASA-N 2 1 253.390 0.927 10 0 CCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000093332581 349538429 /nfs/dbraw/zinc/53/84/29/349538429.db2.gz XQTYRYJTKCXCDW-TZMCWYRMSA-N 2 1 283.416 0.290 10 0 CCAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000336533989 282199651 /nfs/dbraw/zinc/19/96/51/282199651.db2.gz YIBXJLUYTONKGY-NXEZZACHSA-N 2 1 261.316 0.394 10 0 CCAEMP COC(=O)CCCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600887674 362088910 /nfs/dbraw/zinc/08/89/10/362088910.db2.gz XLYKUJLCCYXMIA-YPMHNXCESA-N 2 1 258.362 0.768 10 0 CCAEMP COC(=O)CCCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600887674 362088912 /nfs/dbraw/zinc/08/89/12/362088912.db2.gz XLYKUJLCCYXMIA-YPMHNXCESA-N 2 1 258.362 0.768 10 0 CCAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000336533990 282262719 /nfs/dbraw/zinc/26/27/19/282262719.db2.gz YIBXJLUYTONKGY-UWVGGRQHSA-N 2 1 261.316 0.394 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000601325842 362222748 /nfs/dbraw/zinc/22/27/48/362222748.db2.gz GCFXVLROLHRBDD-ZJUUUORDSA-N 2 1 270.377 0.137 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000601325842 362222751 /nfs/dbraw/zinc/22/27/51/362222751.db2.gz GCFXVLROLHRBDD-ZJUUUORDSA-N 2 1 270.377 0.137 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000117300322 349884557 /nfs/dbraw/zinc/88/45/57/349884557.db2.gz LUORLCDJLHQZDX-CQSZACIVSA-N 2 1 285.432 0.897 10 0 CCAEMP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[N@H+]1CCOC ZINC000117300322 349884558 /nfs/dbraw/zinc/88/45/58/349884558.db2.gz LUORLCDJLHQZDX-CQSZACIVSA-N 2 1 285.432 0.897 10 0 CCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647345 136809878 /nfs/dbraw/zinc/80/98/78/136809878.db2.gz HDGYYBWRFGEPCP-FRRDWIJNSA-N 2 1 253.390 0.833 10 0 CCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261655719 137014552 /nfs/dbraw/zinc/01/45/52/137014552.db2.gz FLIGHWADESQALA-UTUOFQBUSA-N 2 1 257.378 0.339 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1F ZINC000263129575 137058845 /nfs/dbraw/zinc/05/88/45/137058845.db2.gz BOVNXQKVMLMHDC-WCQYABFASA-N 2 1 268.332 0.894 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000263290091 137063087 /nfs/dbraw/zinc/06/30/87/137063087.db2.gz 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CC[C@@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@@H+]1C[C@@H](C)O ZINC000302022693 389062609 /nfs/dbraw/zinc/06/26/09/389062609.db2.gz IXBANLCEIVBZOT-VXGBXAGGSA-N 2 1 292.383 0.462 10 0 CCAEMP CC[C@@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@H+]1C[C@@H](C)O ZINC000302022693 389062610 /nfs/dbraw/zinc/06/26/10/389062610.db2.gz IXBANLCEIVBZOT-VXGBXAGGSA-N 2 1 292.383 0.462 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309682865 389093857 /nfs/dbraw/zinc/09/38/57/389093857.db2.gz BFOFOLXIYWKTFJ-HUUCEWRRSA-N 2 1 291.395 0.598 10 0 CCAEMP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[N@H+](C3CC3)CC2)C1 ZINC000246522075 389229500 /nfs/dbraw/zinc/22/95/00/389229500.db2.gz RGUDFTLXOPHCRQ-NWDGAFQWSA-N 2 1 251.374 0.811 10 0 CCAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000333425411 389412492 /nfs/dbraw/zinc/41/24/92/389412492.db2.gz TWMWBZDLSSQRAZ-VCDKRKBESA-N 2 1 266.389 0.458 10 0 CCAEMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000380596468 389763996 /nfs/dbraw/zinc/76/39/96/389763996.db2.gz FRPRUEXUONBIDS-NEPJUHHUSA-N 2 1 250.346 0.683 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)CC[C@H]21 ZINC000643793061 390552982 /nfs/dbraw/zinc/55/29/82/390552982.db2.gz MJIRXWNUTYQEEL-MGPQQGTHSA-N 2 1 281.400 0.165 10 0 CCAEMP COC[C@]1(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000649299065 390558657 /nfs/dbraw/zinc/55/86/57/390558657.db2.gz WTVRGBVAFFVIJB-ZFWWWQNUSA-N 2 1 283.416 0.555 10 0 CCAEMP CCC[N@@H+](CC)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649343952 390597480 /nfs/dbraw/zinc/59/74/80/390597480.db2.gz HWHLLEVWVMKKEX-LBPRGKRZSA-N 2 1 257.378 0.071 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000258328318 397440548 /nfs/dbraw/zinc/44/05/48/397440548.db2.gz DNCCWCYHWFRURD-NWDGAFQWSA-N 2 1 254.378 0.522 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000262129372 143940402 /nfs/dbraw/zinc/94/04/02/143940402.db2.gz NOBMRCMZOMMZIA-HIFRSBDPSA-N 2 1 272.352 0.542 10 0 CCAEMP Cc1cc(C)n2c(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)cnc2n1 ZINC000262143683 143941541 /nfs/dbraw/zinc/94/15/41/143941541.db2.gz PZUSOYANVQLZKW-AAEUAGOBSA-N 2 1 275.356 0.016 10 0 CCAEMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000386231794 397500909 /nfs/dbraw/zinc/50/09/09/397500909.db2.gz PZCVJCBHJYWHBU-YNEHKIRRSA-N 2 1 260.378 0.083 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000386231794 397500913 /nfs/dbraw/zinc/50/09/13/397500913.db2.gz PZCVJCBHJYWHBU-YNEHKIRRSA-N 2 1 260.378 0.083 10 0 CCAEMP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000335705794 289318601 /nfs/dbraw/zinc/31/86/01/289318601.db2.gz OCJXPPUFSBOAQO-CHWSQXEVSA-N 2 1 268.405 0.816 10 0 CCAEMP Cn1cc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cn1 ZINC000311639947 411749845 /nfs/dbraw/zinc/74/98/45/411749845.db2.gz KTQSDVJSPPSBJT-AWEZNQCLSA-N 2 1 263.389 0.462 10 0 CCAEMP Cc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CCO)CC1 ZINC000020225428 171088491 /nfs/dbraw/zinc/08/84/91/171088491.db2.gz PIZJEHDOYRJLLY-OAHLLOKOSA-N 2 1 263.385 0.605 10 0 CCAEMP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[NH+](C2CC2)CC1 ZINC000653108427 412222132 /nfs/dbraw/zinc/22/21/32/412222132.db2.gz XGBWJVVRLNXDKA-GHMZBOCLSA-N 2 1 291.317 0.691 10 0 CCAEMP CNC(=O)NC(=O)[C@H](C)[N@@H+](CCC[NH3+])C1CCCC1 ZINC000037299700 173105223 /nfs/dbraw/zinc/10/52/23/173105223.db2.gz RVDPBWHUJCZVEU-JTQLQIEISA-N 2 1 270.377 0.424 10 0 CCAEMP C[C@@H](C[NH2+][C@H]1CC(=O)N(C2CC2)C1=O)C[NH+]1CCCCC1 ZINC000038042094 174044174 /nfs/dbraw/zinc/04/41/74/174044174.db2.gz OSEIDWRYLSLXIH-JSGCOSHPSA-N 2 1 293.411 0.988 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264146 414702608 /nfs/dbraw/zinc/70/26/08/414702608.db2.gz RLQZXRCZYZTPQP-UONOGXRCSA-N 2 1 267.417 0.924 10 0 CCAEMP CCN1CCC[C@H]1C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264146 414702609 /nfs/dbraw/zinc/70/26/09/414702609.db2.gz RLQZXRCZYZTPQP-UONOGXRCSA-N 2 1 267.417 0.924 10 0 CCAEMP CCN1CCC[C@H]1C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264146 414702610 /nfs/dbraw/zinc/70/26/10/414702610.db2.gz RLQZXRCZYZTPQP-UONOGXRCSA-N 2 1 267.417 0.924 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662852419 414842423 /nfs/dbraw/zinc/84/24/23/414842423.db2.gz KENNLPPWQYOYOW-NWDGAFQWSA-N 2 1 269.389 0.211 10 0 CCAEMP COC[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000662873580 414858758 /nfs/dbraw/zinc/85/87/58/414858758.db2.gz ZWMQAAOUNYQOEY-VYHDIPPYSA-N 2 1 281.400 0.496 10 0 CCAEMP C[NH2+]CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045174366 175323042 /nfs/dbraw/zinc/32/30/42/175323042.db2.gz VZYYHQSENUNAGR-UHFFFAOYSA-N 2 1 256.371 0.789 10 0 CCAEMP OCC[NH+]1CCN([C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241177 545873034 /nfs/dbraw/zinc/87/30/34/545873034.db2.gz ATDYVNBAPGEWBY-UONOGXRCSA-N 2 1 253.390 0.223 10 0 CCAEMP OCC[NH+]1CCN([C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000725241177 545873036 /nfs/dbraw/zinc/87/30/36/545873036.db2.gz ATDYVNBAPGEWBY-UONOGXRCSA-N 2 1 253.390 0.223 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000098061771 544555901 /nfs/dbraw/zinc/55/59/01/544555901.db2.gz FKEYTZJJXPOGBN-NWDGAFQWSA-N 2 1 267.373 0.060 10 0 CCAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000136364253 544638529 /nfs/dbraw/zinc/63/85/29/544638529.db2.gz IPFWZTKWKRDOLD-YPMHNXCESA-N 2 1 253.390 0.960 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000162040005 277061298 /nfs/dbraw/zinc/06/12/98/277061298.db2.gz OYPRYFJTDWXIFC-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000162040005 277061299 /nfs/dbraw/zinc/06/12/99/277061299.db2.gz OYPRYFJTDWXIFC-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000162040005 277061300 /nfs/dbraw/zinc/06/13/00/277061300.db2.gz OYPRYFJTDWXIFC-CABCVRRESA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1C[NH3+] ZINC000333305982 278005678 /nfs/dbraw/zinc/00/56/78/278005678.db2.gz QWJACNIGJZXGTF-FHUSYTEZSA-N 2 1 269.389 0.195 10 0 CCAEMP CC[NH+](CC)CCN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000245608076 279104855 /nfs/dbraw/zinc/10/48/55/279104855.db2.gz KQCKDLLETVWQQW-GJZGRUSLSA-N 2 1 269.433 0.981 10 0 CCAEMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000336221787 279166222 /nfs/dbraw/zinc/16/62/22/279166222.db2.gz HFOHYQFBRNHPSV-GXTWGEPZSA-N 2 1 271.380 0.926 10 0 CCAEMP CC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000173682100 280200577 /nfs/dbraw/zinc/20/05/77/280200577.db2.gz WOLKHJGOWSGCSY-GXTWGEPZSA-N 2 1 258.406 0.782 10 0 CCAEMP CC[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000168071777 281145109 /nfs/dbraw/zinc/14/51/09/281145109.db2.gz VTWUVVPYPVUMHW-JSGCOSHPSA-N 2 1 287.379 0.257 10 0 CCAEMP CC[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[N@H+]1CCOC ZINC000168071777 281145111 /nfs/dbraw/zinc/14/51/11/281145111.db2.gz VTWUVVPYPVUMHW-JSGCOSHPSA-N 2 1 287.379 0.257 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000333625409 290150538 /nfs/dbraw/zinc/15/05/38/290150538.db2.gz FTLNDEMBGBRDRH-VXGBXAGGSA-N 2 1 266.389 0.603 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CCC[NH+]1CC ZINC000386178544 545085806 /nfs/dbraw/zinc/08/58/06/545085806.db2.gz TZEWFYZDFNVLDC-KBPBESRZSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000386178544 545085807 /nfs/dbraw/zinc/08/58/07/545085807.db2.gz TZEWFYZDFNVLDC-KBPBESRZSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000386178544 545085808 /nfs/dbraw/zinc/08/58/08/545085808.db2.gz TZEWFYZDFNVLDC-KBPBESRZSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CCC[NH+]1CC ZINC000386178545 545085988 /nfs/dbraw/zinc/08/59/88/545085988.db2.gz TZEWFYZDFNVLDC-KGLIPLIRSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000386178545 545085989 /nfs/dbraw/zinc/08/59/89/545085989.db2.gz TZEWFYZDFNVLDC-KGLIPLIRSA-N 2 1 257.422 0.715 10 0 CCAEMP CC[NH+](C)C[C@H](O)CN(C)C[C@H]1CCC[N@H+]1CC ZINC000386178545 545085990 /nfs/dbraw/zinc/08/59/90/545085990.db2.gz TZEWFYZDFNVLDC-KGLIPLIRSA-N 2 1 257.422 0.715 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000378762907 327756714 /nfs/dbraw/zinc/75/67/14/327756714.db2.gz UWJZEXFLEVTINS-CHWSQXEVSA-N 2 1 267.373 0.060 10 0 CCAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](O)(C(N)=O)C1 ZINC000311850550 536354036 /nfs/dbraw/zinc/35/40/36/536354036.db2.gz OOBYGLOJVPDVNF-TZMCWYRMSA-N 2 1 269.389 0.173 10 0 CCAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311850550 536354038 /nfs/dbraw/zinc/35/40/38/536354038.db2.gz OOBYGLOJVPDVNF-TZMCWYRMSA-N 2 1 269.389 0.173 10 0 CCAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311850550 536354041 /nfs/dbraw/zinc/35/40/41/536354041.db2.gz OOBYGLOJVPDVNF-TZMCWYRMSA-N 2 1 269.389 0.173 10 0 CCAEMP CCn1cc(CN2CCC[N@@H+](CCC[NH3+])CC2)cn1 ZINC000050539182 523370692 /nfs/dbraw/zinc/37/06/92/523370692.db2.gz XDIADVFIBGWBQK-UHFFFAOYSA-N 2 1 265.405 0.760 10 0 CCAEMP CCn1cc(C[N@@H+]2CCCN(CCC[NH3+])CC2)cn1 ZINC000050539182 523370700 /nfs/dbraw/zinc/37/07/00/523370700.db2.gz XDIADVFIBGWBQK-UHFFFAOYSA-N 2 1 265.405 0.760 10 0 CCAEMP CCn1cc(C[N@H+]2CCCN(CCC[NH3+])CC2)cn1 ZINC000050539182 523370708 /nfs/dbraw/zinc/37/07/08/523370708.db2.gz XDIADVFIBGWBQK-UHFFFAOYSA-N 2 1 265.405 0.760 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000061401496 523598316 /nfs/dbraw/zinc/59/83/16/523598316.db2.gz NTTOYNIYYRUKFN-QWHCGFSZSA-N 2 1 271.405 0.446 10 0 CCAEMP CNC(=O)C1CC[NH+](Cc2cc[nH+]c(NN)c2)CC1 ZINC000052721348 524049052 /nfs/dbraw/zinc/04/90/52/524049052.db2.gz JGEXHCASSSDQLJ-UHFFFAOYSA-N 2 1 263.345 0.325 10 0 CCAEMP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)O1 ZINC000261801241 527238966 /nfs/dbraw/zinc/23/89/66/527238966.db2.gz OEPQQXBJYSXWLC-ZNMIVQPWSA-N 2 1 295.427 0.873 10 0 CCAEMP CCN1CC[NH+](CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261911932 535679932 /nfs/dbraw/zinc/67/99/32/535679932.db2.gz TVHUAYCVLRFBIQ-CQSZACIVSA-N 2 1 296.459 0.600 10 0 CCAEMP COc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(C)n1 ZINC000263199756 536576934 /nfs/dbraw/zinc/57/69/34/536576934.db2.gz IVSMVSOSNZSQLE-AAEUAGOBSA-N 2 1 265.357 0.377 10 0 CCAEMP COC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262277717 536666125 /nfs/dbraw/zinc/66/61/25/536666125.db2.gz LHKBLRVJVGTEBW-CHWSQXEVSA-N 2 1 269.389 0.341 10 0 CCAEMP O[C@@H](CN1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000310559529 623348967 /nfs/dbraw/zinc/34/89/67/623348967.db2.gz RFTUQQDYDGPQDI-ZIAGYGMSSA-N 2 1 253.390 0.223 10 0 CCAEMP [NH3+][C@H](CC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C1CC1 ZINC000250829921 649792669 /nfs/dbraw/zinc/79/26/69/649792669.db2.gz ISGHRKUGSORXEH-QWHCGFSZSA-N 2 1 251.374 0.811 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251638488 649813958 /nfs/dbraw/zinc/81/39/58/649813958.db2.gz FTYIJNCHQKDSJC-AGIUHOORSA-N 2 1 287.429 0.237 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000601326121 362221989 /nfs/dbraw/zinc/22/19/89/362221989.db2.gz KDYAWGFAIBCDHR-WDEREUQCSA-N 2 1 282.388 0.281 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000601326121 362221994 /nfs/dbraw/zinc/22/19/94/362221994.db2.gz KDYAWGFAIBCDHR-WDEREUQCSA-N 2 1 282.388 0.281 10 0 CCAEMP O=C(COC1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000113705052 349818562 /nfs/dbraw/zinc/81/85/62/349818562.db2.gz XAKTUZUUDBUIPT-ZDUSSCGKSA-N 2 1 281.400 0.452 10 0 CCAEMP CC[N@@H+](CCNC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000252442087 137003205 /nfs/dbraw/zinc/00/32/05/137003205.db2.gz GGZLWAIMTJQABL-AWEZNQCLSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+](CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000252442087 137003206 /nfs/dbraw/zinc/00/32/06/137003206.db2.gz GGZLWAIMTJQABL-AWEZNQCLSA-N 2 1 280.416 0.960 10 0 CCAEMP CC[NH+](CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000252442087 137003207 /nfs/dbraw/zinc/00/32/07/137003207.db2.gz GGZLWAIMTJQABL-AWEZNQCLSA-N 2 1 280.416 0.960 10 0 CCAEMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NC1CCOCC1 ZINC000261876350 137023916 /nfs/dbraw/zinc/02/39/16/137023916.db2.gz ZSRHEJRIBQDNNG-UHFFFAOYSA-N 2 1 281.400 0.357 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000263161385 137059262 /nfs/dbraw/zinc/05/92/62/137059262.db2.gz DVTDDEFELQVIRP-ZIAGYGMSSA-N 2 1 276.384 0.352 10 0 CCAEMP Cc1ccc2ncc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)n2c1 ZINC000263268773 137062152 /nfs/dbraw/zinc/06/21/52/137062152.db2.gz RWGDRMDRWQYONM-AAEUAGOBSA-N 2 1 260.341 0.313 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000263292608 137063136 /nfs/dbraw/zinc/06/31/36/137063136.db2.gz VVNJHIUBSBOXMM-ABAIWWIYSA-N 2 1 290.342 0.681 10 0 CCAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263341432 137064181 /nfs/dbraw/zinc/06/41/81/137064181.db2.gz XQQFXKQNVQYIFL-UHFFFAOYSA-N 2 1 261.369 0.974 10 0 CCAEMP CC(C)[C@@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)[NH+](C)C ZINC000263241455 137061219 /nfs/dbraw/zinc/06/12/19/137061219.db2.gz ORDXYQPNWXNEBH-QWRGUYRKSA-N 2 1 267.377 0.904 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054309013 348549797 /nfs/dbraw/zinc/54/97/97/348549797.db2.gz HFTSXYXDUAXLAB-NWDGAFQWSA-N 2 1 251.374 0.729 10 0 CCAEMP C[N@H+](CCCNC(=O)[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000088371208 349363071 /nfs/dbraw/zinc/36/30/71/349363071.db2.gz LAILTXZRBWEVMA-CQSZACIVSA-N 2 1 283.416 0.746 10 0 CCAEMP C[N@@H+](CCCNC(=O)[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000088371208 349363075 /nfs/dbraw/zinc/36/30/75/349363075.db2.gz LAILTXZRBWEVMA-CQSZACIVSA-N 2 1 283.416 0.746 10 0 CCAEMP C[N@H+](CCCNC(=O)[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000088371207 349363266 /nfs/dbraw/zinc/36/32/66/349363266.db2.gz LAILTXZRBWEVMA-AWEZNQCLSA-N 2 1 283.416 0.746 10 0 CCAEMP C[N@@H+](CCCNC(=O)[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000088371207 349363271 /nfs/dbraw/zinc/36/32/71/349363271.db2.gz LAILTXZRBWEVMA-AWEZNQCLSA-N 2 1 283.416 0.746 10 0 CCAEMP CCC[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC000161527605 350724222 /nfs/dbraw/zinc/72/42/22/350724222.db2.gz MQYKNVOCEWDVDP-ZDUSSCGKSA-N 2 1 298.431 0.043 10 0 CCAEMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174903752 351110205 /nfs/dbraw/zinc/11/02/05/351110205.db2.gz NXCKILWJQAKNQI-KBPBESRZSA-N 2 1 282.432 0.352 10 0 CCAEMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903752 351110211 /nfs/dbraw/zinc/11/02/11/351110211.db2.gz NXCKILWJQAKNQI-KBPBESRZSA-N 2 1 282.432 0.352 10 0 CCAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185187292 351437140 /nfs/dbraw/zinc/43/71/40/351437140.db2.gz BBRXKZFOPOSPCR-CHWSQXEVSA-N 2 1 253.346 0.399 10 0 CCAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185187292 351437145 /nfs/dbraw/zinc/43/71/45/351437145.db2.gz BBRXKZFOPOSPCR-CHWSQXEVSA-N 2 1 253.346 0.399 10 0 CCAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)CCO1 ZINC000246294773 352360015 /nfs/dbraw/zinc/36/00/15/352360015.db2.gz NOARNQOZQOVVRA-MGPQQGTHSA-N 2 1 295.427 0.826 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000250368563 352504505 /nfs/dbraw/zinc/50/45/05/352504505.db2.gz VGLGBLYDXFNCBR-CHWSQXEVSA-N 2 1 253.390 0.977 10 0 CCAEMP OC1(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC000250815995 352508078 /nfs/dbraw/zinc/50/80/78/352508078.db2.gz FHQXMTUHPMNEER-QWHCGFSZSA-N 2 1 254.374 0.744 10 0 CCAEMP OC1(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCOCC1 ZINC000250815995 352508081 /nfs/dbraw/zinc/50/80/81/352508081.db2.gz FHQXMTUHPMNEER-QWHCGFSZSA-N 2 1 254.374 0.744 10 0 CCAEMP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000334927471 295851013 /nfs/dbraw/zinc/85/10/13/295851013.db2.gz HCDJRNUPHYXDQN-LBPRGKRZSA-N 2 1 266.389 0.618 10 0 CCAEMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000334939648 354938004 /nfs/dbraw/zinc/93/80/04/354938004.db2.gz UKHVPLCJMHMWGJ-NEPJUHHUSA-N 2 1 252.362 0.228 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C[NH+](C)CCOC ZINC000380790166 357706571 /nfs/dbraw/zinc/70/65/71/357706571.db2.gz IBOCGHJXEMANHJ-CABCVRRESA-N 2 1 287.448 0.342 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C[C@@H](O)C[N@H+](C)CCOC ZINC000380790166 357706574 /nfs/dbraw/zinc/70/65/74/357706574.db2.gz IBOCGHJXEMANHJ-CABCVRRESA-N 2 1 287.448 0.342 10 0 CCAEMP CC[NH+]1CCC[C@@H]1CN(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000380790166 357706580 /nfs/dbraw/zinc/70/65/80/357706580.db2.gz IBOCGHJXEMANHJ-CABCVRRESA-N 2 1 287.448 0.342 10 0 CCAEMP COc1c(C[NH2+]CCc2c[nH+]cn2C)c(C)nn1C ZINC000401718215 357803041 /nfs/dbraw/zinc/80/30/41/357803041.db2.gz CIVVGWZFJKNBAH-UHFFFAOYSA-N 2 1 263.345 0.803 10 0 CCAEMP CCS(=O)(=O)N1CC(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000408412009 358079647 /nfs/dbraw/zinc/07/96/47/358079647.db2.gz MPAVAHJLAFMMFT-AAEUAGOBSA-N 2 1 289.445 0.198 10 0 CCAEMP Cc1csc(=O)n1CC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842469 370708245 /nfs/dbraw/zinc/70/82/45/370708245.db2.gz ATQSNXITYAZSCX-ONGXEEELSA-N 2 1 255.387 0.745 10 0 CCAEMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000238011096 189896865 /nfs/dbraw/zinc/89/68/65/189896865.db2.gz JCGHNYOZYCPWBM-UONOGXRCSA-N 2 1 281.400 0.309 10 0 CCAEMP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181335581 284572362 /nfs/dbraw/zinc/57/23/62/284572362.db2.gz VEWXGLRKBGKVKB-ZDUSSCGKSA-N 2 1 279.388 0.235 10 0 CCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C1CC1 ZINC000105191966 389085408 /nfs/dbraw/zinc/08/54/08/389085408.db2.gz BVIKSNDSRQFQBS-AAEUAGOBSA-N 2 1 268.405 0.863 10 0 CCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@H+](C)C1CC1 ZINC000105191966 389085409 /nfs/dbraw/zinc/08/54/09/389085409.db2.gz BVIKSNDSRQFQBS-AAEUAGOBSA-N 2 1 268.405 0.863 10 0 CCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000105191966 389085411 /nfs/dbraw/zinc/08/54/11/389085411.db2.gz BVIKSNDSRQFQBS-AAEUAGOBSA-N 2 1 268.405 0.863 10 0 CCAEMP CC(C)C[C@@H]([NH3+])CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000222904035 389142508 /nfs/dbraw/zinc/14/25/08/389142508.db2.gz TWQVPBSWQIWIIO-ZIAGYGMSSA-N 2 1 255.406 0.766 10 0 CCAEMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246340281 389227800 /nfs/dbraw/zinc/22/78/00/389227800.db2.gz URRIWDZTVKNACI-LSDHHAIUSA-N 2 1 296.459 0.565 10 0 CCAEMP C[C@@H](C(=O)N(C)C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246340281 389227801 /nfs/dbraw/zinc/22/78/01/389227801.db2.gz URRIWDZTVKNACI-LSDHHAIUSA-N 2 1 296.459 0.565 10 0 CCAEMP C(CN1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246824663 389232174 /nfs/dbraw/zinc/23/21/74/389232174.db2.gz WRYZKUIRQKFIEN-HOTGVXAUSA-N 2 1 278.444 0.546 10 0 CCAEMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000336391069 389634757 /nfs/dbraw/zinc/63/47/57/389634757.db2.gz RPDWCGNSYPKLPG-JSGCOSHPSA-N 2 1 278.400 0.713 10 0 CCAEMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336391069 389634760 /nfs/dbraw/zinc/63/47/60/389634760.db2.gz RPDWCGNSYPKLPG-JSGCOSHPSA-N 2 1 278.400 0.713 10 0 CCAEMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336391069 389634763 /nfs/dbraw/zinc/63/47/63/389634763.db2.gz RPDWCGNSYPKLPG-JSGCOSHPSA-N 2 1 278.400 0.713 10 0 CCAEMP CO[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000378849160 389760663 /nfs/dbraw/zinc/76/06/63/389760663.db2.gz UVZPFEZVRIJNKS-ZIAGYGMSSA-N 2 1 256.390 0.848 10 0 CCAEMP CC[C@H](C(N)=O)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408080922 389825567 /nfs/dbraw/zinc/82/55/67/389825567.db2.gz LRVUNUAMZFPTLQ-GXTWGEPZSA-N 2 1 282.432 0.351 10 0 CCAEMP CCc1nnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1C ZINC000647951759 390225187 /nfs/dbraw/zinc/22/51/87/390225187.db2.gz DONVDZZGETYNIJ-LLVKDONJSA-N 2 1 251.378 0.938 10 0 CCAEMP CCc1nnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1C ZINC000647951759 390225189 /nfs/dbraw/zinc/22/51/89/390225189.db2.gz DONVDZZGETYNIJ-LLVKDONJSA-N 2 1 251.378 0.938 10 0 CCAEMP C[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190713564 130138695 /nfs/dbraw/zinc/13/86/95/130138695.db2.gz SAIGVRUPYKSYIL-OAHLLOKOSA-N 2 1 290.411 0.924 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799556 397386182 /nfs/dbraw/zinc/38/61/82/397386182.db2.gz GUVNKWPWDIAKAO-OLZOCXBDSA-N 2 1 269.389 0.437 10 0 CCAEMP CC(C)n1ccnc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000649419106 397610359 /nfs/dbraw/zinc/61/03/59/397610359.db2.gz FTJFFGOIAHTXCH-AWEZNQCLSA-N 2 1 277.416 0.944 10 0 CCAEMP CC(C)n1ccnc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000649419106 397610361 /nfs/dbraw/zinc/61/03/61/397610361.db2.gz FTJFFGOIAHTXCH-AWEZNQCLSA-N 2 1 277.416 0.944 10 0 CCAEMP NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022219892 171377043 /nfs/dbraw/zinc/37/70/43/171377043.db2.gz SOUHAOQOIIAZOG-LBPRGKRZSA-N 2 1 290.367 0.281 10 0 CCAEMP NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022219892 171377045 /nfs/dbraw/zinc/37/70/45/171377045.db2.gz SOUHAOQOIIAZOG-LBPRGKRZSA-N 2 1 290.367 0.281 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653104499 412220590 /nfs/dbraw/zinc/22/05/90/412220590.db2.gz JDMPIHFAYQUPFQ-NXEZZACHSA-N 2 1 279.306 0.548 10 0 CCAEMP C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653127340 412234391 /nfs/dbraw/zinc/23/43/91/412234391.db2.gz QOYWWUFREATXRJ-RKDXNWHRSA-N 2 1 265.279 0.158 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000662911050 414886194 /nfs/dbraw/zinc/88/61/94/414886194.db2.gz QTSRXZURMTVLOG-OCCSQVGLSA-N 2 1 269.389 0.356 10 0 CCAEMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371165 544506617 /nfs/dbraw/zinc/50/66/17/544506617.db2.gz WGUXQMLZPCJIJZ-AWEZNQCLSA-N 2 1 283.416 0.555 10 0 CCAEMP O[C@@H](C[NH2+]CC1=CCCOC1)C[NH+]1CCCCC1 ZINC000126743348 544598155 /nfs/dbraw/zinc/59/81/55/544598155.db2.gz MRQSKZDZAZIUGW-AWEZNQCLSA-N 2 1 254.374 0.770 10 0 CCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000235292636 544874263 /nfs/dbraw/zinc/87/42/63/544874263.db2.gz CFQITPGNQMGOFI-NQBHXWOUSA-N 2 1 251.374 0.442 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000250684256 544924109 /nfs/dbraw/zinc/92/41/09/544924109.db2.gz ZVTFSISSSKIHTN-GMXVVIOVSA-N 2 1 251.374 0.714 10 0 CCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261721032 544936704 /nfs/dbraw/zinc/93/67/04/544936704.db2.gz KCYLVWHVRXVFHY-XJFOESAGSA-N 2 1 283.416 0.275 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261721032 544936708 /nfs/dbraw/zinc/93/67/08/544936708.db2.gz KCYLVWHVRXVFHY-XJFOESAGSA-N 2 1 283.416 0.275 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H]1C ZINC000333898322 545044432 /nfs/dbraw/zinc/04/44/32/545044432.db2.gz ZLFOWHLUXYYOHX-XDQVBPFNSA-N 2 1 298.431 0.223 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322585212 545016387 /nfs/dbraw/zinc/01/63/87/545016387.db2.gz IPEXSEIUKMJGJN-XYTAGDGMSA-N 2 1 267.373 0.105 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322585212 545016389 /nfs/dbraw/zinc/01/63/89/545016389.db2.gz IPEXSEIUKMJGJN-XYTAGDGMSA-N 2 1 267.373 0.105 10 0 CCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094569943 265244588 /nfs/dbraw/zinc/24/45/88/265244588.db2.gz XLUBJRZKOMJTAP-UPJWGTAASA-N 2 1 269.389 0.339 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000185481464 276392525 /nfs/dbraw/zinc/39/25/25/276392525.db2.gz CMDSWENGHQWAMW-TUAOUCFPSA-N 2 1 255.362 0.093 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000185481464 276392528 /nfs/dbraw/zinc/39/25/28/276392528.db2.gz CMDSWENGHQWAMW-TUAOUCFPSA-N 2 1 255.362 0.093 10 0 CCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111866928 277222795 /nfs/dbraw/zinc/22/27/95/277222795.db2.gz POSPLXCBYBZDOF-KBPBESRZSA-N 2 1 298.431 0.443 10 0 CCAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089460973 295272324 /nfs/dbraw/zinc/27/23/24/295272324.db2.gz ZVTFSISSSKIHTN-NQBHXWOUSA-N 2 1 251.374 0.714 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000388659910 545086337 /nfs/dbraw/zinc/08/63/37/545086337.db2.gz BDUJMFQRNVNPNZ-CABCVRRESA-N 2 1 269.433 0.858 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000388659910 545086338 /nfs/dbraw/zinc/08/63/38/545086338.db2.gz BDUJMFQRNVNPNZ-CABCVRRESA-N 2 1 269.433 0.858 10 0 CCAEMP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000388659910 545086339 /nfs/dbraw/zinc/08/63/39/545086339.db2.gz BDUJMFQRNVNPNZ-CABCVRRESA-N 2 1 269.433 0.858 10 0 CCAEMP C[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCCC[NH2+]1 ZINC000394377363 545087973 /nfs/dbraw/zinc/08/79/73/545087973.db2.gz CPFQCGXDMICVHF-HIFRSBDPSA-N 2 1 280.416 0.025 10 0 CCAEMP C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262392385 298145952 /nfs/dbraw/zinc/14/59/52/298145952.db2.gz OJRBRTCUDNNYGR-XQQFMLRXSA-N 2 1 297.443 0.846 10 0 CCAEMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262392385 298145956 /nfs/dbraw/zinc/14/59/56/298145956.db2.gz OJRBRTCUDNNYGR-XQQFMLRXSA-N 2 1 297.443 0.846 10 0 CCAEMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000381166830 327134697 /nfs/dbraw/zinc/13/46/97/327134697.db2.gz URDKFGCSLDCMCK-UONOGXRCSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000381166830 327134698 /nfs/dbraw/zinc/13/46/98/327134698.db2.gz URDKFGCSLDCMCK-UONOGXRCSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000381166830 327134700 /nfs/dbraw/zinc/13/47/00/327134700.db2.gz URDKFGCSLDCMCK-UONOGXRCSA-N 2 1 255.406 0.469 10 0 CCAEMP CC[N@@H+](CCn1cc(C[NH2+]C)nn1)[C@H](C)COC ZINC000052504868 521183350 /nfs/dbraw/zinc/18/33/50/521183350.db2.gz UFTJUNNFRANUAB-LLVKDONJSA-N 2 1 255.366 0.354 10 0 CCAEMP CC[C@@H](C)[NH+]1CCN(CC[C@@H]([NH3+])C(=O)OC)CC1 ZINC000062532053 522121378 /nfs/dbraw/zinc/12/13/78/522121378.db2.gz LJJFWYDRYNVDEM-VXGBXAGGSA-N 2 1 257.378 0.293 10 0 CCAEMP COCC[N@H+](Cc1cc[nH+]c(NN)c1)[C@H](C)COC ZINC000052721382 523767693 /nfs/dbraw/zinc/76/76/93/523767693.db2.gz OMDIVNNEVZNWHB-LLVKDONJSA-N 2 1 268.361 0.851 10 0 CCAEMP COCC[N@@H+](Cc1cc[nH+]c(NN)c1)[C@H](C)COC ZINC000052721382 523767701 /nfs/dbraw/zinc/76/77/01/523767701.db2.gz OMDIVNNEVZNWHB-LLVKDONJSA-N 2 1 268.361 0.851 10 0 CCAEMP NNc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]23)c[nH+]1 ZINC000051116580 527277980 /nfs/dbraw/zinc/27/79/80/527277980.db2.gz YQLSPTWAVGYJKY-GHMZBOCLSA-N 2 1 261.329 0.334 10 0 CCAEMP OC[C@H]1CCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183320 527614908 /nfs/dbraw/zinc/61/49/08/527614908.db2.gz QWWLATVHEUHXEN-CQSZACIVSA-N 2 1 268.401 0.992 10 0 CCAEMP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263309641 535460349 /nfs/dbraw/zinc/46/03/49/535460349.db2.gz YJOHGHMHGSFRNJ-JSGCOSHPSA-N 2 1 250.342 0.755 10 0 CCAEMP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(C)n1 ZINC000263199757 536576097 /nfs/dbraw/zinc/57/60/97/536576097.db2.gz IVSMVSOSNZSQLE-DGCLKSJQSA-N 2 1 265.357 0.377 10 0 CCAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000262049922 622635300 /nfs/dbraw/zinc/63/53/00/622635300.db2.gz ZOHXDDNWNSKXAB-LNFKQOIKSA-N 2 1 282.306 0.656 10 0 CCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252862368 624481777 /nfs/dbraw/zinc/48/17/77/624481777.db2.gz NXZHFCSOJWHDCP-RFQIPJPRSA-N 2 1 256.390 0.832 10 0 CCAEMP COCCOCCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000311853687 637335812 /nfs/dbraw/zinc/33/58/12/637335812.db2.gz SXNCADBQCJWKRR-MJBXVCDLSA-N 2 1 272.389 0.335 10 0 CCAEMP [NH3+]CCCCCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000110371402 643922035 /nfs/dbraw/zinc/92/20/35/643922035.db2.gz ILUYLDJOZAPKRT-AWEZNQCLSA-N 2 1 255.406 0.912 10 0 CCAEMP [NH3+]CCCCc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686583 649709766 /nfs/dbraw/zinc/70/97/66/649709766.db2.gz OIXMQLMSMQJFRU-GHMZBOCLSA-N 2 1 266.345 0.887 10 0 CCAEMP [NH3+]CCCCc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686583 649709767 /nfs/dbraw/zinc/70/97/67/649709767.db2.gz OIXMQLMSMQJFRU-GHMZBOCLSA-N 2 1 266.345 0.887 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094648740 649746430 /nfs/dbraw/zinc/74/64/30/649746430.db2.gz OLQHRMIRGOADRA-DGAVXFQQSA-N 2 1 281.400 0.354 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCN1CC[NH2+]CC1 ZINC000094460803 349569086 /nfs/dbraw/zinc/56/90/86/349569086.db2.gz SYLQQODWZXHUHW-UONOGXRCSA-N 2 1 252.406 0.060 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000263161379 137059038 /nfs/dbraw/zinc/05/90/38/137059038.db2.gz DVTDDEFELQVIRP-KBPBESRZSA-N 2 1 276.384 0.352 10 0 CCAEMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261752848 137018340 /nfs/dbraw/zinc/01/83/40/137018340.db2.gz MWKYUDNSBCDQAJ-JHJVBQTASA-N 2 1 269.389 0.198 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262298270 137035963 /nfs/dbraw/zinc/03/59/63/137035963.db2.gz PIZNMPJQQNQXBN-SNPRPXQTSA-N 2 1 295.427 0.744 10 0 CCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262298270 137035964 /nfs/dbraw/zinc/03/59/64/137035964.db2.gz PIZNMPJQQNQXBN-SNPRPXQTSA-N 2 1 295.427 0.744 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2ccccc2)n1 ZINC000263283898 137062675 /nfs/dbraw/zinc/06/26/75/137062675.db2.gz USDDEJFRPBLMIH-UKRRQHHQSA-N 2 1 286.379 0.757 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000263292609 137062865 /nfs/dbraw/zinc/06/28/65/137062865.db2.gz VVNJHIUBSBOXMM-IAQYHMDHSA-N 2 1 290.342 0.681 10 0 CCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000263293595 137062988 /nfs/dbraw/zinc/06/29/88/137062988.db2.gz VZZGJZXJTGTJQK-YPMHNXCESA-N 2 1 266.341 0.374 10 0 CCAEMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CC[NH+](C)C1 ZINC000310919055 137072753 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CC[NH+](CC)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171897188 350941372 /nfs/dbraw/zinc/94/13/72/350941372.db2.gz HJCSUXURCUXVHA-CYBMUJFWSA-N 2 1 268.405 0.818 10 0 CCAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+]1CCOCC1 ZINC000173652804 351048299 /nfs/dbraw/zinc/04/82/99/351048299.db2.gz ACMXBNYVSNPNME-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH+]1CCOCC1 ZINC000173652804 351048302 /nfs/dbraw/zinc/04/83/02/351048302.db2.gz ACMXBNYVSNPNME-LSDHHAIUSA-N 2 1 267.417 0.877 10 0 CCAEMP Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(C)CC2)cn1 ZINC000180471994 351285578 /nfs/dbraw/zinc/28/55/78/351285578.db2.gz NVRWXMDSGVOJQG-AWEZNQCLSA-N 2 1 291.399 0.331 10 0 CCAEMP CC[NH+](CC)CCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236844866 352221133 /nfs/dbraw/zinc/22/11/33/352221133.db2.gz OTKZXQOVWRFUIP-LBPRGKRZSA-N 2 1 257.378 0.213 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]C1CC1 ZINC000251794903 352511740 /nfs/dbraw/zinc/51/17/40/352511740.db2.gz NQGYAFQTNWXFER-YPMHNXCESA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCN1CC[NH2+]CC1 ZINC000251866450 352512669 /nfs/dbraw/zinc/51/26/69/352512669.db2.gz SYLQQODWZXHUHW-KGLIPLIRSA-N 2 1 252.406 0.060 10 0 CCAEMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824575 354800481 /nfs/dbraw/zinc/80/04/81/354800481.db2.gz RPTYFSZDWUPMKN-CRWXNKLISA-N 2 1 298.431 0.081 10 0 CCAEMP O=C([C@H]1CCNCC1(F)F)N1CCN2CCCC[C@@H]2C1 ZINC000335120229 354966789 /nfs/dbraw/zinc/96/67/89/354966789.db2.gz VJQPSDGOVKDGEM-VXGBXAGGSA-N 2 1 287.354 0.928 10 0 CCAEMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000336231449 213061147 /nfs/dbraw/zinc/06/11/47/213061147.db2.gz JJAWLCNFVHUWGR-DGCLKSJQSA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000336231449 213061149 /nfs/dbraw/zinc/06/11/49/213061149.db2.gz JJAWLCNFVHUWGR-DGCLKSJQSA-N 2 1 251.374 0.824 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@@H](CC[NH3+])C1 ZINC000616655493 365410819 /nfs/dbraw/zinc/41/08/19/365410819.db2.gz ZZXLHEGWNKCVMB-LBPRGKRZSA-N 2 1 287.404 0.951 10 0 CCAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](CC[NH3+])C1 ZINC000616596744 365377202 /nfs/dbraw/zinc/37/72/02/365377202.db2.gz AMPKGQHWJCMOOR-LBPRGKRZSA-N 2 1 287.404 0.808 10 0 CCAEMP C[C@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC[N@H+]1C ZINC000634768527 372215755 /nfs/dbraw/zinc/21/57/55/372215755.db2.gz NQXMFZYDJYJKNO-XPCVCDNBSA-N 2 1 265.401 0.975 10 0 CCAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000333431710 205315860 /nfs/dbraw/zinc/31/58/60/205315860.db2.gz URPNYXRWOILAPP-MCIONIFRSA-N 2 1 282.432 0.953 10 0 CCAEMP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000188974572 285064265 /nfs/dbraw/zinc/06/42/65/285064265.db2.gz PXQLOCSARHKUGR-FVCCEPFGSA-N 2 1 287.379 0.254 10 0 CCAEMP CC[N@@H+](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000186926116 388860273 /nfs/dbraw/zinc/86/02/73/388860273.db2.gz OTVXNPAAFISBOX-UHTWSYAYSA-N 2 1 251.374 0.666 10 0 CCAEMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338347 389000261 /nfs/dbraw/zinc/00/02/61/389000261.db2.gz CDPCJMGZBJLQRD-CQSZACIVSA-N 2 1 281.400 0.404 10 0 CCAEMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338347 389000265 /nfs/dbraw/zinc/00/02/65/389000265.db2.gz CDPCJMGZBJLQRD-CQSZACIVSA-N 2 1 281.400 0.404 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000193523884 389072173 /nfs/dbraw/zinc/07/21/73/389072173.db2.gz WSSVUQGEQWTLIJ-JGVFFNPUSA-N 2 1 254.359 0.472 10 0 CCAEMP CC(C)[NH2+]CCN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248788594 389250157 /nfs/dbraw/zinc/25/01/57/389250157.db2.gz WWXTUCKJOZFFCN-ZIAGYGMSSA-N 2 1 255.406 0.637 10 0 CCAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252560724 389265300 /nfs/dbraw/zinc/26/53/00/389265300.db2.gz VVZASTAGEPUBLE-RNJOBUHISA-N 2 1 267.373 0.093 10 0 CCAEMP C[NH+](C)[C@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000170861619 389466670 /nfs/dbraw/zinc/46/66/70/389466670.db2.gz UAWCXXJAUSYBPK-ZDUSSCGKSA-N 2 1 284.404 0.054 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000333800357 389443953 /nfs/dbraw/zinc/44/39/53/389443953.db2.gz HQCJNOXBEZSLSX-IHRRRGAJSA-N 2 1 298.431 0.225 10 0 CCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000333800360 389444015 /nfs/dbraw/zinc/44/40/15/389444015.db2.gz HQCJNOXBEZSLSX-RDBSUJKOSA-N 2 1 298.431 0.225 10 0 CCAEMP CS(=O)(=O)CCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000647908191 390214404 /nfs/dbraw/zinc/21/44/04/390214404.db2.gz FULNZNDDNUCDCL-TUAOUCFPSA-N 2 1 260.403 0.480 10 0 CCAEMP CS(=O)(=O)CCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000647908191 390214407 /nfs/dbraw/zinc/21/44/07/390214407.db2.gz FULNZNDDNUCDCL-TUAOUCFPSA-N 2 1 260.403 0.480 10 0 CCAEMP COC[C@]1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000649311352 390569468 /nfs/dbraw/zinc/56/94/68/390569468.db2.gz JRXKDOJQCDNCES-HIFRSBDPSA-N 2 1 281.400 0.452 10 0 CCAEMP COC[C@]1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000649311352 390569474 /nfs/dbraw/zinc/56/94/74/390569474.db2.gz JRXKDOJQCDNCES-HIFRSBDPSA-N 2 1 281.400 0.452 10 0 CCAEMP [NH3+]C1CCC(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000037799590 397386155 /nfs/dbraw/zinc/38/61/55/397386155.db2.gz RLOPLDBXPXCZQL-YMAMQOFZSA-N 2 1 295.427 0.827 10 0 CCAEMP CC[C@@H]1CN(C(=O)[C@H](C)C2C[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000262467698 287162876 /nfs/dbraw/zinc/16/28/76/287162876.db2.gz XZDUDORNEWUIAI-YRGRVCCFSA-N 2 1 283.416 0.146 10 0 CCAEMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000020303262 171140362 /nfs/dbraw/zinc/14/03/62/171140362.db2.gz KEWUPEBXYVYZJS-SECBINFHSA-N 2 1 258.366 0.008 10 0 CCAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC000020365720 171164337 /nfs/dbraw/zinc/16/43/37/171164337.db2.gz XBRYVUCYHITZTO-ZDUSSCGKSA-N 2 1 273.421 0.849 10 0 CCAEMP C[C@@H]1CN([C@@]2(C[NH3+])C[NH+]3CCC2CC3)C[C@@H](C)O1 ZINC000020442131 171204660 /nfs/dbraw/zinc/20/46/60/171204660.db2.gz SEEJPRUWFUYQOM-BZPMIXESSA-N 2 1 253.390 0.519 10 0 CCAEMP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cn2c[nH+]cc2cn1 ZINC000039073357 174162244 /nfs/dbraw/zinc/16/22/44/174162244.db2.gz QYTODHDUENJTBM-FXPVBKGRSA-N 2 1 257.297 0.210 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662591801 414730985 /nfs/dbraw/zinc/73/09/85/414730985.db2.gz FVXTYOWVYXCXKI-GRYCIOLGSA-N 2 1 271.380 0.923 10 0 CCAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089454375 544512972 /nfs/dbraw/zinc/51/29/72/544512972.db2.gz PFQMAKIEJGTLKO-OBJOEFQTSA-N 2 1 265.401 0.962 10 0 CCAEMP CC[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246235087 544909260 /nfs/dbraw/zinc/90/92/60/544909260.db2.gz IFCAZEIARMIWAO-RYUDHWBXSA-N 2 1 271.405 0.417 10 0 CCAEMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262093651 544938995 /nfs/dbraw/zinc/93/89/95/544938995.db2.gz HIMGVKNCCNMMAM-YPMHNXCESA-N 2 1 260.341 0.313 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000262098291 544939351 /nfs/dbraw/zinc/93/93/51/544939351.db2.gz IJGDZRNXYICHNA-HOCLYGCPSA-N 2 1 291.395 0.193 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000262117641 544940392 /nfs/dbraw/zinc/94/03/92/544940392.db2.gz LLNVHELHCQLQFG-JQWIXIFHSA-N 2 1 272.295 0.958 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000333481118 545039771 /nfs/dbraw/zinc/03/97/71/545039771.db2.gz CCFLEOLBASJLEY-DMDPSCGWSA-N 2 1 272.368 0.470 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246193429 276372377 /nfs/dbraw/zinc/37/23/77/276372377.db2.gz MNGCFSDJPUZGKM-KGLIPLIRSA-N 2 1 298.431 0.443 10 0 CCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000333899587 278100238 /nfs/dbraw/zinc/10/02/38/278100238.db2.gz ZNQYGCSHWOFFSM-MRVWCRGKSA-N 2 1 296.415 0.228 10 0 CCAEMP CC[NH+](CC)CCN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000119688383 279104539 /nfs/dbraw/zinc/10/45/39/279104539.db2.gz ZPFUKITVWZETKX-CQSZACIVSA-N 2 1 255.406 0.735 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246272606 279326703 /nfs/dbraw/zinc/32/67/03/279326703.db2.gz LXGBKIYREUDZHF-WCQYABFASA-N 2 1 257.353 0.631 10 0 CCAEMP CC[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1C[C@H](C)O ZINC000261886255 288259133 /nfs/dbraw/zinc/25/91/33/288259133.db2.gz ZSZHILAWPAYPFR-ZQDZILKHSA-N 2 1 297.443 0.808 10 0 CCAEMP CC[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000261716949 281141266 /nfs/dbraw/zinc/14/12/66/281141266.db2.gz JRVUFKOSLCRTED-APIJFGDWSA-N 2 1 297.443 0.665 10 0 CCAEMP CO[C@H](C)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000182138700 294272567 /nfs/dbraw/zinc/27/25/67/294272567.db2.gz AGBKADCSIBFODF-HZPDHXFCSA-N 2 1 299.459 0.748 10 0 CCAEMP OCCN1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000384746803 545085420 /nfs/dbraw/zinc/08/54/20/545085420.db2.gz RPJOIMJRTZETOC-KKUMJFAQSA-N 2 1 267.417 0.660 10 0 CCAEMP OCC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000384746803 545085423 /nfs/dbraw/zinc/08/54/23/545085423.db2.gz RPJOIMJRTZETOC-KKUMJFAQSA-N 2 1 267.417 0.660 10 0 CCAEMP OCC[NH+]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000384746803 545085424 /nfs/dbraw/zinc/08/54/24/545085424.db2.gz RPJOIMJRTZETOC-KKUMJFAQSA-N 2 1 267.417 0.660 10 0 CCAEMP [NH3+]CC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000050523392 527189200 /nfs/dbraw/zinc/18/92/00/527189200.db2.gz LPBJQUXAFFQIQY-LBPRGKRZSA-N 2 1 258.749 0.766 10 0 CCAEMP C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055136285 525189589 /nfs/dbraw/zinc/18/95/89/525189589.db2.gz WCENWYOSIQNWPH-XQHKEYJVSA-N 2 1 253.390 0.960 10 0 CCAEMP CCN(CC)c1ncc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263281864 535692844 /nfs/dbraw/zinc/69/28/44/535692844.db2.gz UKUPPGDVCNCVKT-JQWIXIFHSA-N 2 1 284.429 0.659 10 0 CCAEMP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000823360515 613954671 /nfs/dbraw/zinc/95/46/71/613954671.db2.gz GVGVVFRSIVRWIX-MJBXVCDLSA-N 2 1 297.443 0.869 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000049645718 622736269 /nfs/dbraw/zinc/73/62/69/622736269.db2.gz IDWRWGFOJHKAPR-CYBMUJFWSA-N 2 1 289.445 0.390 10 0 CCAEMP COCCOCCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000311853685 623806807 /nfs/dbraw/zinc/80/68/07/623806807.db2.gz SXNCADBQCJWKRR-MELADBBJSA-N 2 1 272.389 0.335 10 0 CCAEMP CCCCOC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000227894124 637039446 /nfs/dbraw/zinc/03/94/46/637039446.db2.gz KWAZSAQKACYAEY-RBSFLKMASA-N 2 1 286.416 0.617 10 0 CCAEMP CCCCOC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000227894124 637039448 /nfs/dbraw/zinc/03/94/48/637039448.db2.gz KWAZSAQKACYAEY-RBSFLKMASA-N 2 1 286.416 0.617 10 0 CCAEMP [NH3+][C@@H](CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000123833623 646191475 /nfs/dbraw/zinc/19/14/75/646191475.db2.gz ISGHRKUGSORXEH-OLZOCXBDSA-N 2 1 251.374 0.811 10 0 CCAEMP 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XMJURXTYRNCQBP-HUUCEWRRSA-N 2 1 269.433 0.859 10 0 CCAEMP CC[C@@H](O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182901263 351371811 /nfs/dbraw/zinc/37/18/11/351371811.db2.gz XMJURXTYRNCQBP-HUUCEWRRSA-N 2 1 269.433 0.859 10 0 CCAEMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000236714233 352207000 /nfs/dbraw/zinc/20/70/00/352207000.db2.gz IHMQGNUWNIRULM-OAHLLOKOSA-N 2 1 297.443 0.849 10 0 CCAEMP CC[N@@H+](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000248629730 352449966 /nfs/dbraw/zinc/44/99/66/352449966.db2.gz OTVXNPAAFISBOX-WCFLWFBJSA-N 2 1 251.374 0.666 10 0 CCAEMP CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000249058403 352475612 /nfs/dbraw/zinc/47/56/12/352475612.db2.gz ZIHGVJRBIXOXIT-ARQSVGKCSA-N 2 1 295.427 0.837 10 0 CCAEMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1C[NH2+]C1 ZINC000263288645 352592237 /nfs/dbraw/zinc/59/22/37/352592237.db2.gz LADNRUQLNYKQAU-UHFFFAOYSA-N 2 1 281.400 0.357 10 0 CCAEMP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333643030 354768967 /nfs/dbraw/zinc/76/89/67/354768967.db2.gz IOXDFNVWUDEWAE-RDBSUJKOSA-N 2 1 296.415 0.101 10 0 CCAEMP Cc1noc(CCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000567890454 358606965 /nfs/dbraw/zinc/60/69/65/358606965.db2.gz QKCRFSTXKRACOP-TUAOUCFPSA-N 2 1 250.346 0.980 10 0 CCAEMP C[C@H]1C[N@@H+](CCn2nc3ccccn3c2=O)C[C@H]1C[NH3+] ZINC000631841654 370708755 /nfs/dbraw/zinc/70/87/55/370708755.db2.gz NMUJTXJRWBENQE-NWDGAFQWSA-N 2 1 275.356 0.023 10 0 CCAEMP O=C([C@H]1CC[NH2+]CC1(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC000336364326 296124627 /nfs/dbraw/zinc/12/46/27/296124627.db2.gz HQORLDCWEVDJJI-LLVKDONJSA-N 2 1 287.354 0.833 10 0 CCAEMP O=C1[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCN1C1CCC1 ZINC000629674179 369753067 /nfs/dbraw/zinc/75/30/67/369753067.db2.gz XSKGQIDBMGQCQJ-YPMHNXCESA-N 2 1 251.374 0.729 10 0 CCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333391486 205281470 /nfs/dbraw/zinc/28/14/70/205281470.db2.gz OWIBWEBZLSZJNV-RDBSUJKOSA-N 2 1 298.431 0.081 10 0 CCAEMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCCC[NH2+]C2)n1C ZINC000333432809 205316971 /nfs/dbraw/zinc/31/69/71/205316971.db2.gz UXDVCJAPMFKMTO-NSHDSACASA-N 2 1 294.403 0.427 10 0 CCAEMP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302237761 389066421 /nfs/dbraw/zinc/06/64/21/389066421.db2.gz WLYSKSSXFKVPQX-LLVKDONJSA-N 2 1 278.356 0.073 10 0 CCAEMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000194179287 389090696 /nfs/dbraw/zinc/09/06/96/389090696.db2.gz XJTZHEAQRHWAQO-CYBMUJFWSA-N 2 1 268.405 0.818 10 0 CCAEMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000194179287 389090698 /nfs/dbraw/zinc/09/06/98/389090698.db2.gz XJTZHEAQRHWAQO-CYBMUJFWSA-N 2 1 268.405 0.818 10 0 CCAEMP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000170830565 389464170 /nfs/dbraw/zinc/46/41/70/389464170.db2.gz LZGKUHRZGXBAFF-JSGCOSHPSA-N 2 1 280.416 0.816 10 0 CCAEMP C[NH+]1CCC([NH2+][C@H]2CCC(=O)NC23CCC3)CC1 ZINC000334349570 389470130 /nfs/dbraw/zinc/47/01/30/389470130.db2.gz FAPOLYMMHJGRBS-LBPRGKRZSA-N 2 1 251.374 0.872 10 0 CCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333938884 389450155 /nfs/dbraw/zinc/45/01/55/389450155.db2.gz MWEFUTCVLURYAO-QNWHQSFQSA-N 2 1 266.389 0.459 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cncn2C)CC1 ZINC000177055352 389570937 /nfs/dbraw/zinc/57/09/37/389570937.db2.gz WJRPKELKUFIZLW-ZDUSSCGKSA-N 2 1 280.416 0.945 10 0 CCAEMP CO[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000378849109 389760458 /nfs/dbraw/zinc/76/04/58/389760458.db2.gz UVZPFEZVRIJNKS-KBPBESRZSA-N 2 1 256.390 0.848 10 0 CCAEMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000380596471 389763952 /nfs/dbraw/zinc/76/39/52/389763952.db2.gz FRPRUEXUONBIDS-RYUDHWBXSA-N 2 1 250.346 0.683 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1CNc1cc[nH+]cc1Br ZINC000420233915 389969878 /nfs/dbraw/zinc/96/98/78/389969878.db2.gz CBGWRWDFSKKLAZ-GMSGAONNSA-N 2 1 272.146 0.258 10 0 CCAEMP COC[C@@]1(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000649319599 390577575 /nfs/dbraw/zinc/57/75/75/390577575.db2.gz IJUONTUGMNDRNN-BXUZGUMPSA-N 2 1 269.389 0.354 10 0 CCAEMP C[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190713582 130139325 /nfs/dbraw/zinc/13/93/25/130139325.db2.gz SAIGVRUPYKSYIL-HNNXBMFYSA-N 2 1 290.411 0.924 10 0 CCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799541 397385707 /nfs/dbraw/zinc/38/57/07/397385707.db2.gz WVSCYFCHWQJRIC-MELADBBJSA-N 2 1 283.416 0.683 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037826896 397388547 /nfs/dbraw/zinc/38/85/47/397388547.db2.gz RHUIYJYHAJBVJF-UHFFFAOYSA-N 2 1 283.416 0.685 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000380956649 397484432 /nfs/dbraw/zinc/48/44/32/397484432.db2.gz RPFUZYRKQJCWLN-SNVBAGLBSA-N 2 1 255.366 0.173 10 0 CCAEMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C(=O)NC(N)=O ZINC000020361939 171160454 /nfs/dbraw/zinc/16/04/54/171160454.db2.gz DWZWYNDHTMSCBL-GFCCVEGCSA-N 2 1 292.383 0.682 10 0 CCAEMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C(=O)NC(N)=O ZINC000020361939 171160455 /nfs/dbraw/zinc/16/04/55/171160455.db2.gz DWZWYNDHTMSCBL-GFCCVEGCSA-N 2 1 292.383 0.682 10 0 CCAEMP CC[NH+]1CCN(C(=O)COc2ccc(C[NH3+])cc2)CC1 ZINC000022211415 171373572 /nfs/dbraw/zinc/37/35/72/171373572.db2.gz PLEQMKZUAHAQCA-UHFFFAOYSA-N 2 1 277.368 0.688 10 0 CCAEMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653348967 412293840 /nfs/dbraw/zinc/29/38/40/412293840.db2.gz YJOFLPCDKFIWFP-GHMZBOCLSA-N 2 1 291.317 0.762 10 0 CCAEMP C[N@H+]1CCCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000035429979 172198392 /nfs/dbraw/zinc/19/83/92/172198392.db2.gz YQWZAPCKKVBNSV-UHFFFAOYSA-N 2 1 265.386 0.996 10 0 CCAEMP C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030938 174023286 /nfs/dbraw/zinc/02/32/86/174023286.db2.gz VYEKJTSTCQHWAT-GFCCVEGCSA-N 2 1 277.368 0.817 10 0 CCAEMP C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030938 174023288 /nfs/dbraw/zinc/02/32/88/174023288.db2.gz VYEKJTSTCQHWAT-GFCCVEGCSA-N 2 1 277.368 0.817 10 0 CCAEMP COCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750393 174394695 /nfs/dbraw/zinc/39/46/95/174394695.db2.gz UMYKJIFOLZDDKG-WAAKLRNESA-N 2 1 255.362 0.092 10 0 CCAEMP COCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750393 174394696 /nfs/dbraw/zinc/39/46/96/174394696.db2.gz UMYKJIFOLZDDKG-WAAKLRNESA-N 2 1 255.362 0.092 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000662703587 414743471 /nfs/dbraw/zinc/74/34/71/414743471.db2.gz MDNFLYHRSNXGGB-JHJVBQTASA-N 2 1 253.390 0.975 10 0 CCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1(C)CC[NH2+]CC1 ZINC000071189596 176065342 /nfs/dbraw/zinc/06/53/42/176065342.db2.gz IZBHMUNPLJZQIU-LBPRGKRZSA-N 2 1 253.390 0.786 10 0 CCAEMP O=C([C@@H]1COCC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000088371185 544506307 /nfs/dbraw/zinc/50/63/07/544506307.db2.gz CQTFEKQCKKJTAY-AWEZNQCLSA-N 2 1 281.400 0.452 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089454343 544513358 /nfs/dbraw/zinc/51/33/58/544513358.db2.gz UWWHZTLXSDMCNI-JHJVBQTASA-N 2 1 253.390 0.819 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250219618 544921651 /nfs/dbraw/zinc/92/16/51/544921651.db2.gz DPVLBWQAXFMRDX-AVGNSLFASA-N 2 1 253.390 0.962 10 0 CCAEMP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000250217098 544922059 /nfs/dbraw/zinc/92/20/59/544922059.db2.gz DIAPHCQUUXCYNE-HZSPNIEDSA-N 2 1 255.406 0.779 10 0 CCAEMP C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)[C@@H](C[NH3+])C1 ZINC000261732571 277745363 /nfs/dbraw/zinc/74/53/63/277745363.db2.gz HUBCHQWDEHBRHB-GMTAPVOTSA-N 2 1 275.343 0.817 10 0 CCAEMP CC1(C)CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC[C@H]1[NH3+] ZINC000336509655 278317474 /nfs/dbraw/zinc/31/74/74/278317474.db2.gz BCOQJPDIXMDHBD-NXEZZACHSA-N 2 1 275.343 0.817 10 0 CCAEMP 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/nfs/dbraw/zinc/30/67/93/295306793.db2.gz LWGCLSNRRKDQFX-FRRDWIJNSA-N 2 1 251.374 0.811 10 0 CCAEMP C[C@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000178860822 300121916 /nfs/dbraw/zinc/12/19/16/300121916.db2.gz YQWTXIKPGLNNDX-RYUDHWBXSA-N 2 1 269.389 0.293 10 0 CCAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000333519283 300571991 /nfs/dbraw/zinc/57/19/91/300571991.db2.gz GLJGUPFNSFXPEN-BPLDGKMQSA-N 2 1 288.395 0.943 10 0 CCAEMP CC(C)C[NH2+]C[C@]1(C[N@H+]2CC[C@H](O)C2)CCOC1 ZINC000061711799 519746813 /nfs/dbraw/zinc/74/68/13/519746813.db2.gz YPTQZYMCJCTFBS-KBPBESRZSA-N 2 1 256.390 0.705 10 0 CCAEMP CCCO[C@@H]1CCC[N@H+](CC[C@H]([NH2+]CC)C(N)=O)C1 ZINC000062526819 520270695 /nfs/dbraw/zinc/27/06/95/520270695.db2.gz QMNDTFWNUWZXDZ-OLZOCXBDSA-N 2 1 271.405 0.731 10 0 CCAEMP CCCO[C@@H]1CCC[N@@H+](CC[C@H]([NH2+]CC)C(N)=O)C1 ZINC000062526819 520270700 /nfs/dbraw/zinc/27/07/00/520270700.db2.gz QMNDTFWNUWZXDZ-OLZOCXBDSA-N 2 1 271.405 0.731 10 0 CCAEMP Cn1cc(C[N@H+](C)CC2(C[NH3+])CCOCC2)cn1 ZINC000052197530 523515502 /nfs/dbraw/zinc/51/55/02/523515502.db2.gz QYZRFCMWCSIHOX-UHFFFAOYSA-N 2 1 252.362 0.607 10 0 CCAEMP Cn1cc(C[N@@H+](C)CC2(C[NH3+])CCOCC2)cn1 ZINC000052197530 523515505 /nfs/dbraw/zinc/51/55/05/523515505.db2.gz QYZRFCMWCSIHOX-UHFFFAOYSA-N 2 1 252.362 0.607 10 0 CCAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000050564943 525639403 /nfs/dbraw/zinc/63/94/03/525639403.db2.gz KTOFJMZILQRVED-QWHCGFSZSA-N 2 1 253.390 0.929 10 0 CCAEMP O=C1NCCN1CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565541 527068807 /nfs/dbraw/zinc/06/88/07/527068807.db2.gz SWGWDXLRVBHQHJ-RYUDHWBXSA-N 2 1 252.362 0.228 10 0 CCAEMP O=C1NCCN1CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049565541 527068809 /nfs/dbraw/zinc/06/88/09/527068809.db2.gz SWGWDXLRVBHQHJ-RYUDHWBXSA-N 2 1 252.362 0.228 10 0 CCAEMP [NH3+]CCCCS(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049568657 527177440 /nfs/dbraw/zinc/17/74/40/527177440.db2.gz KGCQMLFVEAEBFR-RYUDHWBXSA-N 2 1 275.418 0.272 10 0 CCAEMP C[C@H](CCCCO)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000398407031 581188168 /nfs/dbraw/zinc/18/81/68/581188168.db2.gz AACMSDGFQGZBQE-KGLIPLIRSA-N 2 1 258.406 0.974 10 0 CCAEMP [NH3+]CCCC[C@@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757205159 581698493 /nfs/dbraw/zinc/69/84/93/581698493.db2.gz UGCISGTWSHCFGA-SECBINFHSA-N 2 1 255.322 0.035 10 0 CCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000094460233 631262188 /nfs/dbraw/zinc/26/21/88/631262188.db2.gz FNUQPIUVJCKFIF-SCRDCRAPSA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC2OCCO2)CC1 ZINC000124181334 646303406 /nfs/dbraw/zinc/30/34/06/646303406.db2.gz IRSNDUZJXVWTSY-ZDUSSCGKSA-N 2 1 286.416 0.774 10 0 CCAEMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C1C[NH2+]C1 ZINC000091409916 349461973 /nfs/dbraw/zinc/46/19/73/349461973.db2.gz AWOAFRREFFGYIN-UHFFFAOYSA-N 2 1 257.297 0.734 10 0 CCAEMP C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105079957 349720509 /nfs/dbraw/zinc/72/05/09/349720509.db2.gz AJMUFULGZVULFK-AWEZNQCLSA-N 2 1 280.416 0.960 10 0 CCAEMP COC(=O)CCCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600887672 362088927 /nfs/dbraw/zinc/08/89/27/362088927.db2.gz XLYKUJLCCYXMIA-DGCLKSJQSA-N 2 1 258.362 0.768 10 0 CCAEMP COC(=O)CCCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600887672 362088930 /nfs/dbraw/zinc/08/89/30/362088930.db2.gz XLYKUJLCCYXMIA-DGCLKSJQSA-N 2 1 258.362 0.768 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000262265930 137033771 /nfs/dbraw/zinc/03/37/71/137033771.db2.gz RZGIYODULLFFBF-DOMZBBRYSA-N 2 1 273.380 0.985 10 0 CCAEMP C[C@@H]1C[N@H+](CCCCNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263299234 137063495 /nfs/dbraw/zinc/06/34/95/137063495.db2.gz NCHBLXDZJZBOEJ-TXEJJXNPSA-N 2 1 269.389 0.211 10 0 CCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2cccnc2)n1 ZINC000263217339 137060630 /nfs/dbraw/zinc/06/06/30/137060630.db2.gz LBUCOZCSCFGIIQ-GXTWGEPZSA-N 2 1 287.367 0.152 10 0 CCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1O ZINC000263242340 137061241 /nfs/dbraw/zinc/06/12/41/137061241.db2.gz OTNQWWDWSZBTHA-ZYHUDNBSSA-N 2 1 252.314 0.071 10 0 CCAEMP CN(C)c1nc(NCCCN2CC[NH2+]CC2)cc[nH+]1 ZINC000085432068 349333743 /nfs/dbraw/zinc/33/37/43/349333743.db2.gz MAANLDQDIAUOKK-UHFFFAOYSA-N 2 1 264.377 0.250 10 0 CCAEMP CC(C)[NH+]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129609144 350218307 /nfs/dbraw/zinc/21/83/07/350218307.db2.gz AAIYAHASIXDZDL-UHFFFAOYSA-N 2 1 282.432 0.223 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)N1CCN(C2CC2)CC1 ZINC000105233580 186047439 /nfs/dbraw/zinc/04/74/39/186047439.db2.gz AUEBNANKGDLAEL-UHFFFAOYSA-N 2 1 284.404 0.054 10 0 CCAEMP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105233580 186047441 /nfs/dbraw/zinc/04/74/41/186047441.db2.gz AUEBNANKGDLAEL-UHFFFAOYSA-N 2 1 284.404 0.054 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000154653972 350595725 /nfs/dbraw/zinc/59/57/25/350595725.db2.gz WGFQBPBHBIOOQJ-YPMHNXCESA-N 2 1 269.389 0.042 10 0 CCAEMP 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C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333938883 354818177 /nfs/dbraw/zinc/81/81/77/354818177.db2.gz MWEFUTCVLURYAO-LOWDOPEQSA-N 2 1 266.389 0.459 10 0 CCAEMP C[C@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CCCC[NH2+]1 ZINC000336221647 213048412 /nfs/dbraw/zinc/04/84/12/213048412.db2.gz AMEGOKFOQBJJQB-QWHCGFSZSA-N 2 1 257.353 0.679 10 0 CCAEMP Cc1noc(CCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000567890452 358607029 /nfs/dbraw/zinc/60/70/29/358607029.db2.gz QKCRFSTXKRACOP-SDDRHHMPSA-N 2 1 250.346 0.980 10 0 CCAEMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000336231450 213061953 /nfs/dbraw/zinc/06/19/53/213061953.db2.gz JJAWLCNFVHUWGR-WCQYABFASA-N 2 1 251.374 0.824 10 0 CCAEMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000336231450 213061955 /nfs/dbraw/zinc/06/19/55/213061955.db2.gz JJAWLCNFVHUWGR-WCQYABFASA-N 2 1 251.374 0.824 10 0 CCAEMP O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1cn2c[nH+]cc2cn1 ZINC000168856194 284145904 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277.434 0.244 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252560721 295310861 /nfs/dbraw/zinc/31/08/61/295310861.db2.gz VVXYXFDLVXFOGA-RFQIPJPRSA-N 2 1 281.400 0.483 10 0 CCAEMP [NH3+]C1CCC(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000394391674 545088014 /nfs/dbraw/zinc/08/80/14/545088014.db2.gz LAVDHELXGCBIBB-JXQTWKCFSA-N 2 1 280.416 0.010 10 0 CCAEMP C[NH2+]CCS(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000049629957 522012892 /nfs/dbraw/zinc/01/28/92/522012892.db2.gz WWMUFGHRCOJQNK-GFCCVEGCSA-N 2 1 277.434 0.390 10 0 CCAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1CCOCC1 ZINC000054627966 521955630 /nfs/dbraw/zinc/95/56/30/521955630.db2.gz SGRHCKOKIDKNMD-GOOCMWNKSA-N 2 1 267.417 0.924 10 0 CCAEMP C[NH2+]Cc1cn(CC[N@@H+](C)C2CCN(C)CC2)nn1 ZINC000052419854 522142021 /nfs/dbraw/zinc/14/20/21/522142021.db2.gz LWCUFNXDUUTAAA-UHFFFAOYSA-N 2 1 266.393 0.024 10 0 CCAEMP CN(CC[C@H]([NH2+]C1CC1)C(N)=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000062531736 522934577 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ZINC000261906171 535679887 /nfs/dbraw/zinc/67/98/87/535679887.db2.gz WXKUCBNJOLLFFT-GJZGRUSLSA-N 2 1 296.459 0.600 10 0 CCAEMP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1F ZINC000263129572 535724215 /nfs/dbraw/zinc/72/42/15/535724215.db2.gz BOVNXQKVMLMHDC-DGCLKSJQSA-N 2 1 268.332 0.894 10 0 CCAEMP CCN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263184951 535764316 /nfs/dbraw/zinc/76/43/16/535764316.db2.gz HEPICUSHYZIBNZ-STQMWFEESA-N 2 1 264.373 0.208 10 0 CCAEMP OCCC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310558902 623347958 /nfs/dbraw/zinc/34/79/58/623347958.db2.gz JFEJSPYRTYYCPG-UONOGXRCSA-N 2 1 256.390 0.680 10 0 CCAEMP OCCC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310558902 623347963 /nfs/dbraw/zinc/34/79/63/623347963.db2.gz JFEJSPYRTYYCPG-UONOGXRCSA-N 2 1 256.390 0.680 10 0 CCAEMP C(Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685575 624848364 /nfs/dbraw/zinc/84/83/64/624848364.db2.gz ZQZSPVVTYMUOMG-NEPJUHHUSA-N 2 1 278.356 0.900 10 0 CCAEMP C(Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685575 624848366 /nfs/dbraw/zinc/84/83/66/624848366.db2.gz ZQZSPVVTYMUOMG-NEPJUHHUSA-N 2 1 278.356 0.900 10 0 CCAEMP [NH3+]CC(=O)N[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000116450790 349870489 /nfs/dbraw/zinc/87/04/89/349870489.db2.gz MUEPPYGDDCGTJV-VIFPVBQESA-N 2 1 274.328 0.002 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117037458 349879171 /nfs/dbraw/zinc/87/91/71/349879171.db2.gz AKBALYQLWPYQGV-UONOGXRCSA-N 2 1 298.431 0.443 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262655628 137049386 /nfs/dbraw/zinc/04/93/86/137049386.db2.gz CJMHOFOLIOAYJV-HZSPNIEDSA-N 2 1 283.416 0.459 10 0 CCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262655628 137049387 /nfs/dbraw/zinc/04/93/87/137049387.db2.gz CJMHOFOLIOAYJV-HZSPNIEDSA-N 2 1 283.416 0.459 10 0 CCAEMP Cc1ncc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)n1-c1ccccc1 ZINC000263154594 137059064 /nfs/dbraw/zinc/05/90/64/137059064.db2.gz DHDBIQHOTHKGPN-XJKSGUPXSA-N 2 1 286.379 0.851 10 0 CCAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000263293593 137063122 /nfs/dbraw/zinc/06/31/22/137063122.db2.gz VZZGJZXJTGTJQK-WCQYABFASA-N 2 1 266.341 0.374 10 0 CCAEMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(OC)c1OC ZINC000013733052 348030667 /nfs/dbraw/zinc/03/06/67/348030667.db2.gz NNAIGUQMQJBVCU-UHFFFAOYSA-N 2 1 298.383 0.774 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000054307501 348549612 /nfs/dbraw/zinc/54/96/12/348549612.db2.gz XNMBBGGJRBXMKW-CHWSQXEVSA-N 2 1 265.401 0.977 10 0 CCAEMP C[C@@]1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517453 349181362 /nfs/dbraw/zinc/18/13/62/349181362.db2.gz NVIKWDHYIAYFOP-OCCSQVGLSA-N 2 1 251.374 0.825 10 0 CCAEMP C[C@@]1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517453 349181366 /nfs/dbraw/zinc/18/13/66/349181366.db2.gz NVIKWDHYIAYFOP-OCCSQVGLSA-N 2 1 251.374 0.825 10 0 CCAEMP 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BDOYETWBHLZZIP-LBPRGKRZSA-N 2 1 250.346 0.792 10 0 CCAEMP CCNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178293501 351227368 /nfs/dbraw/zinc/22/73/68/351227368.db2.gz BDOYETWBHLZZIP-LBPRGKRZSA-N 2 1 250.346 0.792 10 0 CCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000180829376 351293475 /nfs/dbraw/zinc/29/34/75/351293475.db2.gz LOWIVGIDFPKIHY-LSDHHAIUSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CC[NH+](C)CC1 ZINC000180829376 351293480 /nfs/dbraw/zinc/29/34/80/351293480.db2.gz LOWIVGIDFPKIHY-LSDHHAIUSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CC[NH+](C)CC1 ZINC000180829376 351293483 /nfs/dbraw/zinc/29/34/83/351293483.db2.gz LOWIVGIDFPKIHY-LSDHHAIUSA-N 2 1 294.443 0.319 10 0 CCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000182433320 351362900 /nfs/dbraw/zinc/36/29/00/351362900.db2.gz QBZLSMRXVSLAJW-CHWSQXEVSA-N 2 1 251.374 0.824 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188690162 351618392 /nfs/dbraw/zinc/61/83/92/351618392.db2.gz SRZREGDESXZWPX-JTQLQIEISA-N 2 1 277.372 0.270 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000189285815 351664924 /nfs/dbraw/zinc/66/49/24/351664924.db2.gz GEQOSDHXRMKWCD-XQHKEYJVSA-N 2 1 269.389 0.208 10 0 CCAEMP COC[C@H](O)C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195287779 351908007 /nfs/dbraw/zinc/90/80/07/351908007.db2.gz MKPJFIJMZKNEPR-HZPDHXFCSA-N 2 1 293.411 0.843 10 0 CCAEMP CN1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000245202567 352316276 /nfs/dbraw/zinc/31/62/76/352316276.db2.gz TVBZACOVMHURMS-GJZGRUSLSA-N 2 1 291.395 0.736 10 0 CCAEMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000238010616 352294333 /nfs/dbraw/zinc/29/43/33/352294333.db2.gz CDCWWQDOVNCTDE-UONOGXRCSA-N 2 1 281.400 0.452 10 0 CCAEMP COC[C@@H](O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328646905 354245481 /nfs/dbraw/zinc/24/54/81/354245481.db2.gz SWQUEJNGHIFBSY-NEPJUHHUSA-N 2 1 253.346 0.385 10 0 CCAEMP COC[C@@H](O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328646905 354245482 /nfs/dbraw/zinc/24/54/82/354245482.db2.gz SWQUEJNGHIFBSY-NEPJUHHUSA-N 2 1 253.346 0.385 10 0 CCAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)C1 ZINC000038043280 283042716 /nfs/dbraw/zinc/04/27/16/283042716.db2.gz QNLPZKKMNSTFCB-ZFWWWQNUSA-N 2 1 294.443 0.271 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1C ZINC000333423789 354758423 /nfs/dbraw/zinc/75/84/23/354758423.db2.gz SXFHTUWEOIXUQK-FRRDWIJNSA-N 2 1 268.405 0.910 10 0 CCAEMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000334939653 354938479 /nfs/dbraw/zinc/93/84/79/354938479.db2.gz UKHVPLCJMHMWGJ-VXGBXAGGSA-N 2 1 252.362 0.228 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)C ZINC000178312749 189105878 /nfs/dbraw/zinc/10/58/78/189105878.db2.gz YQZPHHXSFRPTQF-GFCCVEGCSA-N 2 1 250.346 0.744 10 0 CCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC000178312749 189105879 /nfs/dbraw/zinc/10/58/79/189105879.db2.gz YQZPHHXSFRPTQF-GFCCVEGCSA-N 2 1 250.346 0.744 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000631842670 370707949 /nfs/dbraw/zinc/70/79/49/370707949.db2.gz DJDKYTFTBXAHEV-AGIUHOORSA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000631842670 370707952 /nfs/dbraw/zinc/70/79/52/370707952.db2.gz DJDKYTFTBXAHEV-AGIUHOORSA-N 2 1 253.390 0.914 10 0 CCAEMP C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[N@@H+](C)C1CC1 ZINC000634767455 372214021 /nfs/dbraw/zinc/21/40/21/372214021.db2.gz WXSSFIASAFCFOD-XUJVJEKNSA-N 2 1 265.401 0.975 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638114886 374680559 /nfs/dbraw/zinc/68/05/59/374680559.db2.gz CKJPKIRLZAYBGX-DYEKYZERSA-N 2 1 267.373 0.060 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638114888 374680833 /nfs/dbraw/zinc/68/08/33/374680833.db2.gz CKJPKIRLZAYBGX-YRGRVCCFSA-N 2 1 267.373 0.060 10 0 CCAEMP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000335305572 208151161 /nfs/dbraw/zinc/15/11/61/208151161.db2.gz QSLATJVYJNDHOO-CHWSQXEVSA-N 2 1 266.389 0.476 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(CC)CC[NH2+]C2)C1 ZINC000062898890 285232330 /nfs/dbraw/zinc/23/23/30/285232330.db2.gz JMYSRIUPPUGGLZ-TZMCWYRMSA-N 2 1 253.390 0.977 10 0 CCAEMP C[N@@H+](C[C@@H](O)CN1CC[NH+]2CCCC[C@@H]2C1)C1CC1 ZINC000336811389 389022985 /nfs/dbraw/zinc/02/29/85/389022985.db2.gz MSSVFMFAQKTQII-HUUCEWRRSA-N 2 1 267.417 0.612 10 0 CCAEMP C[NH+](C[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000336811389 389022989 /nfs/dbraw/zinc/02/29/89/389022989.db2.gz MSSVFMFAQKTQII-HUUCEWRRSA-N 2 1 267.417 0.612 10 0 CCAEMP C[NH+](C[C@@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000336811389 389022994 /nfs/dbraw/zinc/02/29/94/389022994.db2.gz MSSVFMFAQKTQII-HUUCEWRRSA-N 2 1 267.417 0.612 10 0 CCAEMP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000193607367 389074656 /nfs/dbraw/zinc/07/46/56/389074656.db2.gz WXDMPFPTIMLERV-FRRDWIJNSA-N 2 1 251.374 0.489 10 0 CCAEMP CC(C)N1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1=O ZINC000193607367 389074658 /nfs/dbraw/zinc/07/46/58/389074658.db2.gz WXDMPFPTIMLERV-FRRDWIJNSA-N 2 1 251.374 0.489 10 0 CCAEMP CC(C)N1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1=O ZINC000193607367 389074659 /nfs/dbraw/zinc/07/46/59/389074659.db2.gz WXDMPFPTIMLERV-FRRDWIJNSA-N 2 1 251.374 0.489 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000194130663 389088914 /nfs/dbraw/zinc/08/89/14/389088914.db2.gz DQPPNSCMHRCFDU-ZDUSSCGKSA-N 2 1 268.405 0.864 10 0 CCAEMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904654 389099716 /nfs/dbraw/zinc/09/97/16/389099716.db2.gz CWOWVMRDUZHDLM-UONOGXRCSA-N 2 1 256.390 0.678 10 0 CCAEMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904654 389099721 /nfs/dbraw/zinc/09/97/21/389099721.db2.gz CWOWVMRDUZHDLM-UONOGXRCSA-N 2 1 256.390 0.678 10 0 CCAEMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904654 389099724 /nfs/dbraw/zinc/09/97/24/389099724.db2.gz CWOWVMRDUZHDLM-UONOGXRCSA-N 2 1 256.390 0.678 10 0 CCAEMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904654 389099727 /nfs/dbraw/zinc/09/97/27/389099727.db2.gz CWOWVMRDUZHDLM-UONOGXRCSA-N 2 1 256.390 0.678 10 0 CCAEMP CC[C@H]1CN(C(=O)C[NH+](CC)CC)CC[N@H+]1C[C@H](C)O ZINC000245432857 389207600 /nfs/dbraw/zinc/20/76/00/389207600.db2.gz OUGHLLJJBZRSCU-KBPBESRZSA-N 2 1 285.432 0.632 10 0 CCAEMP CN(C(=O)[C@H]1CC[NH2+]CC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000336176394 389627234 /nfs/dbraw/zinc/62/72/34/389627234.db2.gz OVAPFNXBCCNCNQ-GHMZBOCLSA-N 2 1 275.343 0.832 10 0 CCAEMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000377564812 389749728 /nfs/dbraw/zinc/74/97/28/389749728.db2.gz OLXZQZSNKITPKA-ZIAGYGMSSA-N 2 1 283.416 0.555 10 0 CCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261999841 285356101 /nfs/dbraw/zinc/35/61/01/285356101.db2.gz NIMAPQYKMTUKAX-VXGBXAGGSA-N 2 1 269.389 0.293 10 0 CCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261999841 285356103 /nfs/dbraw/zinc/35/61/03/285356103.db2.gz NIMAPQYKMTUKAX-VXGBXAGGSA-N 2 1 269.389 0.293 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649277318 390545093 /nfs/dbraw/zinc/54/50/93/390545093.db2.gz UUJUQYWDBGHOEK-GXTWGEPZSA-N 2 1 269.389 0.356 10 0 CCAEMP CCC[N@@H+](CC)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649343934 390597810 /nfs/dbraw/zinc/59/78/10/390597810.db2.gz HMHBKKQCTIERIE-AWEZNQCLSA-N 2 1 271.405 0.603 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646140804 390616615 /nfs/dbraw/zinc/61/66/15/390616615.db2.gz XPEGNXVYQXUIOA-RYUDHWBXSA-N 2 1 253.390 0.927 10 0 CCAEMP C[NH2+][C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1cnn(C)c1 ZINC000262446077 131221567 /nfs/dbraw/zinc/22/15/67/131221567.db2.gz VKOKMAGDCNNYAD-CQSZACIVSA-N 2 1 295.431 0.916 10 0 CCAEMP CC[N@H+]1CC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000037643497 397383865 /nfs/dbraw/zinc/38/38/65/397383865.db2.gz YSLZYYYAZUBOKL-PNESKVBLSA-N 2 1 253.390 0.962 10 0 CCAEMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000380956641 397484353 /nfs/dbraw/zinc/48/43/53/397484353.db2.gz RPFUZYRKQJCWLN-JTQLQIEISA-N 2 1 255.366 0.173 10 0 CCAEMP C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030937 174023980 /nfs/dbraw/zinc/02/39/80/174023980.db2.gz VYEKJTSTCQHWAT-LBPRGKRZSA-N 2 1 277.368 0.817 10 0 CCAEMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030937 174023981 /nfs/dbraw/zinc/02/39/81/174023981.db2.gz VYEKJTSTCQHWAT-LBPRGKRZSA-N 2 1 277.368 0.817 10 0 CCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H](O)c1ccccc1 ZINC000038031598 174026221 /nfs/dbraw/zinc/02/62/21/174026221.db2.gz MGGHFTHKNBAUOG-CQSZACIVSA-N 2 1 277.368 0.084 10 0 CCAEMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H](O)c1ccccc1 ZINC000038031598 174026222 /nfs/dbraw/zinc/02/62/22/174026222.db2.gz MGGHFTHKNBAUOG-CQSZACIVSA-N 2 1 277.368 0.084 10 0 CCAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCCC1 ZINC000040750337 174395328 /nfs/dbraw/zinc/39/53/28/174395328.db2.gz SKPJEZUKZXQPSM-YHWZYXNKSA-N 2 1 251.374 0.953 10 0 CCAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCCC1 ZINC000040750337 174395330 /nfs/dbraw/zinc/39/53/30/174395330.db2.gz SKPJEZUKZXQPSM-YHWZYXNKSA-N 2 1 251.374 0.953 10 0 CCAEMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](N3CCOCC3)C2)CC[NH2+]1 ZINC000235413377 544875332 /nfs/dbraw/zinc/87/53/32/544875332.db2.gz IUCFWYKYTUZMOO-QLFBSQMISA-N 2 1 267.417 0.781 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000311020638 545012698 /nfs/dbraw/zinc/01/26/98/545012698.db2.gz LPIDAJFRYRQWPZ-ZIAGYGMSSA-N 2 1 258.406 0.924 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000311020638 545012701 /nfs/dbraw/zinc/01/27/01/545012701.db2.gz LPIDAJFRYRQWPZ-ZIAGYGMSSA-N 2 1 258.406 0.924 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCO ZINC000311020638 545012703 /nfs/dbraw/zinc/01/27/03/545012703.db2.gz LPIDAJFRYRQWPZ-ZIAGYGMSSA-N 2 1 258.406 0.924 10 0 CCAEMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261879800 276319548 /nfs/dbraw/zinc/31/95/48/276319548.db2.gz YXAJPVZUBOKALM-ZIAGYGMSSA-N 2 1 283.416 0.542 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000335284713 279293889 /nfs/dbraw/zinc/29/38/89/279293889.db2.gz AMJRTUMVCVDPFW-NWDGAFQWSA-N 2 1 254.378 0.603 10 0 CCAEMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)N1CCOCC1 ZINC000051953267 279750396 /nfs/dbraw/zinc/75/03/96/279750396.db2.gz YNLJFKQRQDAZOI-UHFFFAOYSA-N 2 1 295.427 0.796 10 0 CCAEMP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCC[C@@H](CO)C1 ZINC000038043246 280086043 /nfs/dbraw/zinc/08/60/43/280086043.db2.gz IIPCZTPPIOBTOX-HIFRSBDPSA-N 2 1 295.427 0.434 10 0 CCAEMP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC[C@@H](CO)C1 ZINC000038043246 280086044 /nfs/dbraw/zinc/08/60/44/280086044.db2.gz IIPCZTPPIOBTOX-HIFRSBDPSA-N 2 1 295.427 0.434 10 0 CCAEMP CC[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000261886248 281133237 /nfs/dbraw/zinc/13/32/37/281133237.db2.gz ZSZHILAWPAYPFR-CBBWQLFWSA-N 2 1 297.443 0.808 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000113579317 297093573 /nfs/dbraw/zinc/09/35/73/297093573.db2.gz VQWDWUCOLVBDKB-TZMCWYRMSA-N 2 1 280.416 0.959 10 0 CCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000389523315 545086766 /nfs/dbraw/zinc/08/67/66/545086766.db2.gz AAYSGAJCNBLMHB-QWHCGFSZSA-N 2 1 253.390 0.977 10 0 CCAEMP C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000334921717 300321826 /nfs/dbraw/zinc/32/18/26/300321826.db2.gz OMFKNNOVJMKYEC-QWRGUYRKSA-N 2 1 252.362 0.226 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)NCC[N@@H+]1CC=CCC1 ZINC000392895125 329062391 /nfs/dbraw/zinc/06/23/91/329062391.db2.gz CGTMNAOYDLPHQJ-CYBMUJFWSA-N 2 1 251.374 0.754 10 0 CCAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(CC)CC2)O1 ZINC000052422488 519952593 /nfs/dbraw/zinc/95/25/93/519952593.db2.gz MWERYMWATXSYJY-KBPBESRZSA-N 2 1 255.406 0.781 10 0 CCAEMP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(CC)CC2)O1 ZINC000052422490 519979775 /nfs/dbraw/zinc/97/97/75/519979775.db2.gz MWERYMWATXSYJY-KGLIPLIRSA-N 2 1 255.406 0.781 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000157874118 525258454 /nfs/dbraw/zinc/25/84/54/525258454.db2.gz GQJWKDCJRLGSNV-FVCCEPFGSA-N 2 1 253.390 0.960 10 0 CCAEMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262415509 535576231 /nfs/dbraw/zinc/57/62/31/535576231.db2.gz RCTVMVDUXVITRF-DGCLKSJQSA-N 2 1 281.404 0.527 10 0 CCAEMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000310877923 623588846 /nfs/dbraw/zinc/58/88/46/623588846.db2.gz NCFWJPFDKPMEID-HZSPNIEDSA-N 2 1 256.390 0.990 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668119 649708846 /nfs/dbraw/zinc/70/88/46/649708846.db2.gz JPEIBLIDBMJXNY-MJBXVCDLSA-N 2 1 281.400 0.356 10 0 CCAEMP CC(C)([NH3+])Cc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686262 649709712 /nfs/dbraw/zinc/70/97/12/649709712.db2.gz LHEGENRUUZIQIJ-NXEZZACHSA-N 2 1 266.345 0.885 10 0 CCAEMP CC(C)([NH3+])Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686262 649709713 /nfs/dbraw/zinc/70/97/13/649709713.db2.gz LHEGENRUUZIQIJ-NXEZZACHSA-N 2 1 266.345 0.885 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000601325840 362221557 /nfs/dbraw/zinc/22/15/57/362221557.db2.gz GCFXVLROLHRBDD-UWVGGRQHSA-N 2 1 270.377 0.137 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000601325840 362221561 /nfs/dbraw/zinc/22/15/61/362221561.db2.gz GCFXVLROLHRBDD-UWVGGRQHSA-N 2 1 270.377 0.137 10 0 CCAEMP CC[NH+](CC)CCN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000119688232 349948852 /nfs/dbraw/zinc/94/88/52/349948852.db2.gz ZPFUKITVWZETKX-AWEZNQCLSA-N 2 1 255.406 0.735 10 0 CCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000258328325 137005813 /nfs/dbraw/zinc/00/58/13/137005813.db2.gz DNCCWCYHWFRURD-RYUDHWBXSA-N 2 1 254.378 0.522 10 0 CCAEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261658292 137014543 /nfs/dbraw/zinc/01/45/43/137014543.db2.gz FOAHFNVIXLDQAS-RQJABVFESA-N 2 1 281.400 0.578 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000263161380 137059125 /nfs/dbraw/zinc/05/91/25/137059125.db2.gz DVTDDEFELQVIRP-KGLIPLIRSA-N 2 1 276.384 0.352 10 0 CCAEMP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC000261884592 137024259 /nfs/dbraw/zinc/02/42/59/137024259.db2.gz PRTPKOKQNOJTQK-AWEZNQCLSA-N 2 1 295.427 0.875 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000262156692 137029052 /nfs/dbraw/zinc/02/90/52/137029052.db2.gz SCLMLTRLABVXPN-HZPDHXFCSA-N 2 1 286.379 0.601 10 0 CCAEMP O=C(CC[N@H+]1CCC[C@H](n2cccn2)C1)N1CC[NH2+]CC1 ZINC000262174240 137029207 /nfs/dbraw/zinc/02/92/07/137029207.db2.gz QOXPDQZTTMSGJT-AWEZNQCLSA-N 2 1 291.399 0.342 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000262198076 137030574 /nfs/dbraw/zinc/03/05/74/137030574.db2.gz ZTGZYWWAAAJARQ-JQWIXIFHSA-N 2 1 272.295 0.958 10 0 CCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000263263016 137062130 /nfs/dbraw/zinc/06/21/30/137062130.db2.gz REEJVTQXGGIIHQ-OCCSQVGLSA-N 2 1 272.352 0.747 10 0 CCAEMP CN1CC[NH+](CCCNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136209653 350418774 /nfs/dbraw/zinc/41/87/74/350418774.db2.gz XHNILSXKWNWITN-HNNXBMFYSA-N 2 1 282.432 0.272 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1)[NH+](C)C ZINC000163389544 350765340 /nfs/dbraw/zinc/76/53/40/350765340.db2.gz JKIGACADMZVGFG-MGPQQGTHSA-N 2 1 285.432 0.630 10 0 CCAEMP CC[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1)[NH+](C)C ZINC000163389544 350765342 /nfs/dbraw/zinc/76/53/42/350765342.db2.gz JKIGACADMZVGFG-MGPQQGTHSA-N 2 1 285.432 0.630 10 0 CCAEMP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188720740 351620267 /nfs/dbraw/zinc/62/02/67/351620267.db2.gz BYPJXQXBILYOJT-LSDHHAIUSA-N 2 1 291.370 0.861 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000193629134 351836917 /nfs/dbraw/zinc/83/69/17/351836917.db2.gz ZRMRHQYWJWHKNH-SOUVJXGZSA-N 2 1 294.443 0.032 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000193629134 351836918 /nfs/dbraw/zinc/83/69/18/351836918.db2.gz ZRMRHQYWJWHKNH-SOUVJXGZSA-N 2 1 294.443 0.032 10 0 CCAEMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000236771988 352212565 /nfs/dbraw/zinc/21/25/65/352212565.db2.gz SIBHJJRJVAZTEJ-ZDUSSCGKSA-N 2 1 269.389 0.211 10 0 CCAEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000246714351 352380262 /nfs/dbraw/zinc/38/02/62/352380262.db2.gz KXYTUFVMWNYEER-QLFBSQMISA-N 2 1 297.443 0.774 10 0 CCAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000246714351 352380265 /nfs/dbraw/zinc/38/02/65/352380265.db2.gz KXYTUFVMWNYEER-QLFBSQMISA-N 2 1 297.443 0.774 10 0 CCAEMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246714351 352380267 /nfs/dbraw/zinc/38/02/67/352380267.db2.gz KXYTUFVMWNYEER-QLFBSQMISA-N 2 1 297.443 0.774 10 0 CCAEMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246714351 352380269 /nfs/dbraw/zinc/38/02/69/352380269.db2.gz KXYTUFVMWNYEER-QLFBSQMISA-N 2 1 297.443 0.774 10 0 CCAEMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](O)C(N)=O)CC1 ZINC000299744096 354043738 /nfs/dbraw/zinc/04/37/38/354043738.db2.gz QWGZYFOSNYGDAD-AWEZNQCLSA-N 2 1 294.399 0.530 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000312824595 354211093 /nfs/dbraw/zinc/21/10/93/354211093.db2.gz UBHQBKYPBKUOHC-KKUMJFAQSA-N 2 1 285.432 0.094 10 0 CCAEMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1C ZINC000333423795 354758454 /nfs/dbraw/zinc/75/84/54/354758454.db2.gz SXFHTUWEOIXUQK-JHJVBQTASA-N 2 1 268.405 0.910 10 0 CCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333836288 354803052 /nfs/dbraw/zinc/80/30/52/354803052.db2.gz UHOUIGVEOMYNRB-STQMWFEESA-N 2 1 280.416 0.912 10 0 CCAEMP CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000334451382 354868728 /nfs/dbraw/zinc/86/87/28/354868728.db2.gz VRRIXMBVHABUSF-CQSZACIVSA-N 2 1 280.416 0.960 10 0 CCAEMP CO[C@H]1CN(CCCc2c[nH+]cn2C)[C@](C)(C[NH3+])C1 ZINC000630369621 370070721 /nfs/dbraw/zinc/07/07/21/370070721.db2.gz WZPRJMDZYVEBRN-KGLIPLIRSA-N 2 1 266.389 0.791 10 0 CCAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765425 372211896 /nfs/dbraw/zinc/21/18/96/372211896.db2.gz SDCANADAWHDWRX-OBJOEFQTSA-N 2 1 251.374 0.444 10 0 CCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765666 372212383 /nfs/dbraw/zinc/21/23/83/372212383.db2.gz YIQLDZRJLMRVNT-XEZPLFJOSA-N 2 1 277.412 0.977 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC[N@H+]1C ZINC000634768526 372216046 /nfs/dbraw/zinc/21/60/46/372216046.db2.gz NQXMFZYDJYJKNO-OSFYFWSMSA-N 2 1 265.401 0.975 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638079028 374637791 /nfs/dbraw/zinc/63/77/91/374637791.db2.gz JQJHAKMPEZTXBM-JSGCOSHPSA-N 2 1 269.389 0.342 10 0 CCAEMP [NH3+]C[C@@]1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCOC1 ZINC000638087329 374647435 /nfs/dbraw/zinc/64/74/35/374647435.db2.gz QZKNPARNLKQNBA-HIFRSBDPSA-N 2 1 281.400 0.439 10 0 CCAEMP [NH3+]C[C@@]1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCCOC1 ZINC000638087329 374647439 /nfs/dbraw/zinc/64/74/39/374647439.db2.gz QZKNPARNLKQNBA-HIFRSBDPSA-N 2 1 281.400 0.439 10 0 CCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111866931 285022698 /nfs/dbraw/zinc/02/26/98/285022698.db2.gz POSPLXCBYBZDOF-KGLIPLIRSA-N 2 1 298.431 0.443 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000194130685 389088686 /nfs/dbraw/zinc/08/86/86/389088686.db2.gz DQPPNSCMHRCFDU-CYBMUJFWSA-N 2 1 268.405 0.864 10 0 CCAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227457041 389150932 /nfs/dbraw/zinc/15/09/32/389150932.db2.gz PLVDYYUQKUDLMA-CYDGBPFRSA-N 2 1 251.374 0.680 10 0 CCAEMP CC(C)[N@@H+](C)CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262332577 389285204 /nfs/dbraw/zinc/28/52/04/389285204.db2.gz FPEHOKMTLRNWQH-UHFFFAOYSA-N 2 1 294.403 0.561 10 0 CCAEMP CC(C)[N@H+](C)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176458304 389558534 /nfs/dbraw/zinc/55/85/34/389558534.db2.gz IDEAVYFTWDCTKZ-AWEZNQCLSA-N 2 1 299.459 0.878 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1C ZINC000178774482 389621744 /nfs/dbraw/zinc/62/17/44/389621744.db2.gz GFTOBRXBMIBOPG-GHMZBOCLSA-N 2 1 257.378 0.027 10 0 CCAEMP CN(C(=O)[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000336176396 389626673 /nfs/dbraw/zinc/62/66/73/389626673.db2.gz OVAPFNXBCCNCNQ-QWRGUYRKSA-N 2 1 275.343 0.832 10 0 CCAEMP [NH3+]C1CCC(C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000037827041 397388637 /nfs/dbraw/zinc/38/86/37/397388637.db2.gz KJRZAENYODBPHW-UHFFFAOYSA-N 2 1 251.374 0.811 10 0 CCAEMP O=C(CC[C@H]1CCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392937098 397513546 /nfs/dbraw/zinc/51/35/46/397513546.db2.gz XOPINZRVFYPHKV-CYBMUJFWSA-N 2 1 251.374 0.897 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392816902 397513150 /nfs/dbraw/zinc/51/31/50/397513150.db2.gz MRXGOEZSUADRHK-STQMWFEESA-N 2 1 251.374 0.753 10 0 CCAEMP COCCN(C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C1CC1 ZINC000038043323 292397631 /nfs/dbraw/zinc/39/76/31/292397631.db2.gz HPZTTZWLIYHEJW-HNNXBMFYSA-N 2 1 295.427 0.840 10 0 CCAEMP COCCN(C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)C1CC1 ZINC000038043323 292397633 /nfs/dbraw/zinc/39/76/33/292397633.db2.gz HPZTTZWLIYHEJW-HNNXBMFYSA-N 2 1 295.427 0.840 10 0 CCAEMP CCO[C@@H]1C[N@H+](Cc2cnn(C)c2C)C[C@H]1C[NH3+] ZINC000405238902 411800452 /nfs/dbraw/zinc/80/04/52/411800452.db2.gz ANJOUGNJTMSQTG-DGCLKSJQSA-N 2 1 252.362 0.524 10 0 CCAEMP CCO[C@@H]1C[N@@H+](Cc2cnn(C)c2C)C[C@H]1C[NH3+] ZINC000405238902 411800454 /nfs/dbraw/zinc/80/04/54/411800454.db2.gz ANJOUGNJTMSQTG-DGCLKSJQSA-N 2 1 252.362 0.524 10 0 CCAEMP COc1ccccc1[C@H](C[NH3+])N1CC[NH+](CCO)CC1 ZINC000020225747 171090661 /nfs/dbraw/zinc/09/06/61/171090661.db2.gz AMUKRKHUINKLKG-AWEZNQCLSA-N 2 1 279.384 0.305 10 0 CCAEMP C[C@@H]1CN([C@]2(C[NH3+])C[NH+]3CCC2CC3)C[C@H](C)O1 ZINC000020442145 171204770 /nfs/dbraw/zinc/20/47/70/171204770.db2.gz SEEJPRUWFUYQOM-MBNYWOFBSA-N 2 1 253.390 0.519 10 0 CCAEMP CC[C@@H](CC[NH3+])[NH+]1CCN(CC(=O)N(C)CC)CC1 ZINC000037223162 173043681 /nfs/dbraw/zinc/04/36/81/173043681.db2.gz ROJZLIFNPKRPOW-ZDUSSCGKSA-N 2 1 270.421 0.210 10 0 CCAEMP CCC[N@H+](CC(=O)N1CCNC1=O)C1CC[NH2+]CC1 ZINC000037539166 173259809 /nfs/dbraw/zinc/25/98/09/173259809.db2.gz CLGNTBWUQIKQLA-UHFFFAOYSA-N 2 1 268.361 0.002 10 0 CCAEMP CCC[N@@H+](CC(=O)N1CCNC1=O)C1CC[NH2+]CC1 ZINC000037539166 173259811 /nfs/dbraw/zinc/25/98/11/173259811.db2.gz CLGNTBWUQIKQLA-UHFFFAOYSA-N 2 1 268.361 0.002 10 0 CCAEMP CC[NH+]1CCN(C(=O)[C@H]2CCCN2C2CC[NH2+]CC2)CC1 ZINC000038042951 174046962 /nfs/dbraw/zinc/04/69/62/174046962.db2.gz QKRXOXYCCFCBEW-OAHLLOKOSA-N 2 1 294.443 0.367 10 0 CCAEMP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000662260397 414701215 /nfs/dbraw/zinc/70/12/15/414701215.db2.gz MFJZJCVCVGUSCE-UONOGXRCSA-N 2 1 265.401 0.678 10 0 CCAEMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000662260397 414701216 /nfs/dbraw/zinc/70/12/16/414701216.db2.gz MFJZJCVCVGUSCE-UONOGXRCSA-N 2 1 265.401 0.678 10 0 CCAEMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCN2CCCC[C@H]2C1 ZINC000662260397 414701217 /nfs/dbraw/zinc/70/12/17/414701217.db2.gz MFJZJCVCVGUSCE-UONOGXRCSA-N 2 1 265.401 0.678 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662593577 414731249 /nfs/dbraw/zinc/73/12/49/414731249.db2.gz PLBLPZHLGGNBLN-RYUDHWBXSA-N 2 1 253.390 0.833 10 0 CCAEMP CCOC(=O)[C@@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000071190964 176067867 /nfs/dbraw/zinc/06/78/67/176067867.db2.gz VKSDMAIJIHJBBQ-CHWSQXEVSA-N 2 1 271.405 0.411 10 0 CCAEMP CCOC(=O)[C@@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000071190964 176067868 /nfs/dbraw/zinc/06/78/68/176067868.db2.gz VKSDMAIJIHJBBQ-CHWSQXEVSA-N 2 1 271.405 0.411 10 0 CCAEMP CCOC(=O)[C@@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)NC ZINC000071190964 176067869 /nfs/dbraw/zinc/06/78/69/176067869.db2.gz VKSDMAIJIHJBBQ-CHWSQXEVSA-N 2 1 271.405 0.411 10 0 CCAEMP CCOC(=O)[C@@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)NC ZINC000071190964 176067870 /nfs/dbraw/zinc/06/78/70/176067870.db2.gz VKSDMAIJIHJBBQ-CHWSQXEVSA-N 2 1 271.405 0.411 10 0 CCAEMP O[C@@]1(C[NH+]2CCC(Oc3ccncc3)CC2)CC[NH2+]C1 ZINC000077320086 177251527 /nfs/dbraw/zinc/25/15/27/177251527.db2.gz WKKDISQIAQZFQH-HNNXBMFYSA-N 2 1 277.368 0.649 10 0 CCAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000136364175 544639354 /nfs/dbraw/zinc/63/93/54/544639354.db2.gz IPFWZTKWKRDOLD-AAEUAGOBSA-N 2 1 253.390 0.960 10 0 CCAEMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000227432443 544834206 /nfs/dbraw/zinc/83/42/06/544834206.db2.gz HNBFCYVOBBSNIN-NEPJUHHUSA-N 2 1 271.430 0.526 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000251571716 544927656 /nfs/dbraw/zinc/92/76/56/544927656.db2.gz CAOVLDRCFNHOIS-NEPJUHHUSA-N 2 1 251.374 0.953 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000262086830 544939380 /nfs/dbraw/zinc/93/93/80/544939380.db2.gz GEISUBAXAASEBZ-WCQYABFASA-N 2 1 273.340 0.142 10 0 CCAEMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)[N@@H+](C)C1 ZINC000333881902 545044078 /nfs/dbraw/zinc/04/40/78/545044078.db2.gz WIFNJDWYQJEZPB-XDQVBPFNSA-N 2 1 298.431 0.487 10 0 CCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000335946738 277079627 /nfs/dbraw/zinc/07/96/27/277079627.db2.gz LCQACSBRXICTJN-KBPBESRZSA-N 2 1 280.416 0.960 10 0 CCAEMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335946738 277079628 /nfs/dbraw/zinc/07/96/28/277079628.db2.gz LCQACSBRXICTJN-KBPBESRZSA-N 2 1 280.416 0.960 10 0 CCAEMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335946738 277079629 /nfs/dbraw/zinc/07/96/29/277079629.db2.gz LCQACSBRXICTJN-KBPBESRZSA-N 2 1 280.416 0.960 10 0 CCAEMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000335939212 277133357 /nfs/dbraw/zinc/13/33/57/277133357.db2.gz TZVPGAUEWCVVRF-OLZOCXBDSA-N 2 1 251.374 0.635 10 0 CCAEMP C[NH+]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000335939212 277133358 /nfs/dbraw/zinc/13/33/58/277133358.db2.gz TZVPGAUEWCVVRF-OLZOCXBDSA-N 2 1 251.374 0.635 10 0 CCAEMP C[NH+]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000335939212 277133359 /nfs/dbraw/zinc/13/33/59/277133359.db2.gz TZVPGAUEWCVVRF-OLZOCXBDSA-N 2 1 251.374 0.635 10 0 CCAEMP CC(C)C[C@H](CNC(=O)[C@H]1CCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000251441191 279160876 /nfs/dbraw/zinc/16/08/76/279160876.db2.gz VHYOXMAVGXYYJO-QLFBSQMISA-N 2 1 297.443 0.977 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336811820 288314029 /nfs/dbraw/zinc/31/40/29/288314029.db2.gz OPUWDWQQSVHQNH-SNPRPXQTSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336811820 288314031 /nfs/dbraw/zinc/31/40/31/288314031.db2.gz OPUWDWQQSVHQNH-SNPRPXQTSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336811820 288314033 /nfs/dbraw/zinc/31/40/33/288314033.db2.gz OPUWDWQQSVHQNH-SNPRPXQTSA-N 2 1 267.417 0.610 10 0 CCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333815171 289045522 /nfs/dbraw/zinc/04/55/22/289045522.db2.gz JYVBGUBUWRVZES-MGPQQGTHSA-N 2 1 296.415 0.243 10 0 CCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000333658654 290152112 /nfs/dbraw/zinc/15/21/12/290152112.db2.gz LEMSJNUYKULFTM-SYQHCUMBSA-N 2 1 280.416 0.992 10 0 CCAEMP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000334921716 297102748 /nfs/dbraw/zinc/10/27/48/297102748.db2.gz OMFKNNOVJMKYEC-MNOVXSKESA-N 2 1 252.362 0.226 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000388659914 545086523 /nfs/dbraw/zinc/08/65/23/545086523.db2.gz BDUJMFQRNVNPNZ-LSDHHAIUSA-N 2 1 269.433 0.858 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000388659914 545086524 /nfs/dbraw/zinc/08/65/24/545086524.db2.gz BDUJMFQRNVNPNZ-LSDHHAIUSA-N 2 1 269.433 0.858 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000388659914 545086525 /nfs/dbraw/zinc/08/65/25/545086525.db2.gz BDUJMFQRNVNPNZ-LSDHHAIUSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH2+]CCC(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000061296709 519915688 /nfs/dbraw/zinc/91/56/88/519915688.db2.gz YOXIAPBFGVKQRU-UHFFFAOYSA-N 2 1 257.378 0.167 10 0 CCAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCCNC1=O ZINC000054602263 521953791 /nfs/dbraw/zinc/95/37/91/521953791.db2.gz MLTPOQYDHGDUCG-PSEXLTFBSA-N 2 1 251.374 0.870 10 0 CCAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC000054602263 521953798 /nfs/dbraw/zinc/95/37/98/521953798.db2.gz MLTPOQYDHGDUCG-PSEXLTFBSA-N 2 1 251.374 0.870 10 0 CCAEMP CC[C@@H]1COCC[N@@H+]1CCn1cc(C[NH2+]C)nn1 ZINC000052481519 523498048 /nfs/dbraw/zinc/49/80/48/523498048.db2.gz OOXGPBNSWJASLZ-GFCCVEGCSA-N 2 1 253.350 0.108 10 0 CCAEMP CC[C@@H]1COCC[N@H+]1CCn1cc(C[NH2+]C)nn1 ZINC000052481519 523498055 /nfs/dbraw/zinc/49/80/55/523498055.db2.gz OOXGPBNSWJASLZ-GFCCVEGCSA-N 2 1 253.350 0.108 10 0 CCAEMP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263259616 536576778 /nfs/dbraw/zinc/57/67/78/536576778.db2.gz QTWOSDRKLVJIET-OLZOCXBDSA-N 2 1 280.368 0.682 10 0 CCAEMP CC[C@H]1CN(C(=O)CCCCC[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000155678220 615895216 /nfs/dbraw/zinc/89/52/16/615895216.db2.gz UETMPBQLPZRBSF-KGLIPLIRSA-N 2 1 285.432 0.809 10 0 CCAEMP OCCC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310558901 623347675 /nfs/dbraw/zinc/34/76/75/623347675.db2.gz JFEJSPYRTYYCPG-KGLIPLIRSA-N 2 1 256.390 0.680 10 0 CCAEMP OCCC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310558901 623347684 /nfs/dbraw/zinc/34/76/84/623347684.db2.gz JFEJSPYRTYYCPG-KGLIPLIRSA-N 2 1 256.390 0.680 10 0 CCAEMP CCCCOC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333530 625770860 /nfs/dbraw/zinc/77/08/60/625770860.db2.gz FIAHQOGMSAMGCS-CHWSQXEVSA-N 2 1 260.378 0.214 10 0 CCAEMP CCCCOC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333530 625770868 /nfs/dbraw/zinc/77/08/68/625770868.db2.gz FIAHQOGMSAMGCS-CHWSQXEVSA-N 2 1 260.378 0.214 10 0 CCAEMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042929 282086555 /nfs/dbraw/zinc/08/65/55/282086555.db2.gz ACNHUEKTWKYQGY-CQSZACIVSA-N 3 1 282.432 0.271 10 0 CCAEMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042929 282086561 /nfs/dbraw/zinc/08/65/61/282086561.db2.gz ACNHUEKTWKYQGY-CQSZACIVSA-N 3 1 282.432 0.271 10 0 CCAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252560719 137003098 /nfs/dbraw/zinc/00/30/98/137003098.db2.gz VVXYXFDLVXFOGA-CRWXNKLISA-N 2 1 281.400 0.483 10 0 CCAEMP Cc1cccn2c(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cnc12 ZINC000263146674 137059128 /nfs/dbraw/zinc/05/91/28/137059128.db2.gz CUGXSJDMUQDXIK-WCQYABFASA-N 2 1 260.341 0.313 10 0 CCAEMP Cc1cccn2c(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)cnc12 ZINC000263146670 137059284 /nfs/dbraw/zinc/05/92/84/137059284.db2.gz CUGXSJDMUQDXIK-AAEUAGOBSA-N 2 1 260.341 0.313 10 0 CCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000263290092 137062818 /nfs/dbraw/zinc/06/28/18/137062818.db2.gz VNOJAEKADGQRQY-WFASDCNBSA-N 2 1 272.352 0.542 10 0 CCAEMP COc1ccc(C)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263286196 137063192 /nfs/dbraw/zinc/06/31/92/137063192.db2.gz VAYYRRRCOYAVHM-STQMWFEESA-N 2 1 250.342 0.674 10 0 CCAEMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1OC ZINC000263195727 137060163 /nfs/dbraw/zinc/06/01/63/137060163.db2.gz IKEGDHBVGVBUFR-QWHCGFSZSA-N 2 1 280.368 0.764 10 0 CCAEMP CC(C)(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000129636882 350218674 /nfs/dbraw/zinc/21/86/74/350218674.db2.gz YWPWZOPJIQDYCI-ZDUSSCGKSA-N 2 1 294.443 0.271 10 0 CCAEMP CC[N@H+](CC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000153022387 350549976 /nfs/dbraw/zinc/54/99/76/350549976.db2.gz XQZZNFMCURZRLN-CHWSQXEVSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[N@@H+](CC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000153022387 350549980 /nfs/dbraw/zinc/54/99/80/350549980.db2.gz XQZZNFMCURZRLN-CHWSQXEVSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[NH+](CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000153022387 350549982 /nfs/dbraw/zinc/54/99/82/350549982.db2.gz XQZZNFMCURZRLN-CHWSQXEVSA-N 2 1 283.416 0.384 10 0 CCAEMP CC[NH+](CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000153022387 350549984 /nfs/dbraw/zinc/54/99/84/350549984.db2.gz XQZZNFMCURZRLN-CHWSQXEVSA-N 2 1 283.416 0.384 10 0 CCAEMP CCC[C@H](C(=O)NCC[N@@H+](C)CCOC)[NH+](C)C ZINC000161958969 350731984 /nfs/dbraw/zinc/73/19/84/350731984.db2.gz WIDORXOHLZMGSK-GFCCVEGCSA-N 2 1 259.394 0.411 10 0 CCAEMP CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000162233915 350739703 /nfs/dbraw/zinc/73/97/03/350739703.db2.gz XBRVHOFCWWIHMY-KGLIPLIRSA-N 2 1 285.432 0.801 10 0 CCAEMP C[N@H+]1C[C@@H](CO)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000169791317 350840278 /nfs/dbraw/zinc/84/02/78/350840278.db2.gz VRIMXQYLMRSQJQ-ZDUSSCGKSA-N 2 1 268.401 0.802 10 0 CCAEMP C[C@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000178860839 351249782 /nfs/dbraw/zinc/24/97/82/351249782.db2.gz YQWTXIKPGLNNDX-NWDGAFQWSA-N 2 1 269.389 0.293 10 0 CCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227797398 352059177 /nfs/dbraw/zinc/05/91/77/352059177.db2.gz YGKUKUVPARTEEE-JHJVBQTASA-N 2 1 253.390 0.960 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000226687062 352030868 /nfs/dbraw/zinc/03/08/68/352030868.db2.gz LYEMDCVHCUVWAH-BFHYXJOUSA-N 2 1 283.416 0.744 10 0 CCAEMP C(CN1CC[NH+]2CCC[C@H]2C1)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247165261 352401542 /nfs/dbraw/zinc/40/15/42/352401542.db2.gz ZQNPSEPPMPRVON-IRXDYDNUSA-N 2 1 292.471 0.937 10 0 CCAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000250565591 352506392 /nfs/dbraw/zinc/50/63/92/352506392.db2.gz DEVNWHRAQQCPAP-ZLMOABSSSA-N 2 1 281.400 0.495 10 0 CCAEMP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328650994 354246108 /nfs/dbraw/zinc/24/61/08/354246108.db2.gz VSDZESHIHPLCCE-CYBMUJFWSA-N 2 1 292.383 0.236 10 0 CCAEMP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328650994 354246112 /nfs/dbraw/zinc/24/61/12/354246112.db2.gz VSDZESHIHPLCCE-CYBMUJFWSA-N 2 1 292.383 0.236 10 0 CCAEMP O=C(NC1C[NH2+]C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000335378298 354995116 /nfs/dbraw/zinc/99/51/16/354995116.db2.gz KWIFCWJMZGCRGW-SMDDNHRTSA-N 2 1 278.400 0.617 10 0 CCAEMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000333399240 297277896 /nfs/dbraw/zinc/27/78/96/297277896.db2.gz PSKCIDBPVRXEMO-GRYCIOLGSA-N 2 1 266.389 0.520 10 0 CCAEMP CO[C@H]1C[C@@H](C(=O)N2CCC(c3ncc[nH]3)CC2)N(C)C1 ZINC000408035597 357878381 /nfs/dbraw/zinc/87/83/81/357878381.db2.gz MXKXJEIJQQSHNA-STQMWFEESA-N 2 1 292.383 0.835 10 0 CCAEMP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631842811 370708419 /nfs/dbraw/zinc/70/84/19/370708419.db2.gz GEOGVRVDWAPLIF-AAEUAGOBSA-N 2 1 279.359 0.969 10 0 CCAEMP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631842811 370708422 /nfs/dbraw/zinc/70/84/22/370708422.db2.gz GEOGVRVDWAPLIF-AAEUAGOBSA-N 2 1 279.359 0.969 10 0 CCAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765665 372212789 /nfs/dbraw/zinc/21/27/89/372212789.db2.gz YIQLDZRJLMRVNT-WWGRRREGSA-N 2 1 277.412 0.977 10 0 CCAEMP CC[NH+]1CCC(NCc2n[nH]c(C3CC[NH2+]CC3)n2)CC1 ZINC000333235570 205140381 /nfs/dbraw/zinc/14/03/81/205140381.db2.gz ABQOFANXXVJYJV-UHFFFAOYSA-N 2 1 292.431 0.846 10 0 CCAEMP C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000333262209 205163459 /nfs/dbraw/zinc/16/34/59/205163459.db2.gz FVKXEHRPJGDVGT-UONOGXRCSA-N 2 1 298.431 0.491 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000638087316 374646009 /nfs/dbraw/zinc/64/60/09/374646009.db2.gz QRRIXUYGMSEJIA-KCQAQPDRSA-N 2 1 281.400 0.450 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000638087316 374646017 /nfs/dbraw/zinc/64/60/17/374646017.db2.gz QRRIXUYGMSEJIA-KCQAQPDRSA-N 2 1 281.400 0.450 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000638087317 374646132 /nfs/dbraw/zinc/64/61/32/374646132.db2.gz QRRIXUYGMSEJIA-VNHYZAJKSA-N 2 1 281.400 0.450 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000638087317 374646137 /nfs/dbraw/zinc/64/61/37/374646137.db2.gz QRRIXUYGMSEJIA-VNHYZAJKSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247570035 285201475 /nfs/dbraw/zinc/20/14/75/285201475.db2.gz WLBONNFTKWHGRQ-KBPBESRZSA-N 2 1 283.416 0.650 10 0 CCAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000121346463 389147337 /nfs/dbraw/zinc/14/73/37/389147337.db2.gz YFXKWQPRURJXKP-LSDHHAIUSA-N 2 1 297.443 0.632 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000121346463 389147342 /nfs/dbraw/zinc/14/73/42/389147342.db2.gz YFXKWQPRURJXKP-LSDHHAIUSA-N 2 1 297.443 0.632 10 0 CCAEMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000313114005 389111344 /nfs/dbraw/zinc/11/13/44/389111344.db2.gz OOJXXSJUTAOCEP-GJZGRUSLSA-N 2 1 285.432 0.096 10 0 CCAEMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000313114005 389111346 /nfs/dbraw/zinc/11/13/46/389111346.db2.gz OOJXXSJUTAOCEP-GJZGRUSLSA-N 2 1 285.432 0.096 10 0 CCAEMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000313114005 389111347 /nfs/dbraw/zinc/11/13/47/389111347.db2.gz OOJXXSJUTAOCEP-GJZGRUSLSA-N 2 1 285.432 0.096 10 0 CCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000343711001 389270608 /nfs/dbraw/zinc/27/06/08/389270608.db2.gz KKFTYOZCCJCTTG-RDBSUJKOSA-N 2 1 255.406 0.373 10 0 CCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)CC[C@H]21 ZINC000643793059 390553073 /nfs/dbraw/zinc/55/30/73/390553073.db2.gz MJIRXWNUTYQEEL-HZSPNIEDSA-N 2 1 281.400 0.165 10 0 CCAEMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649297736 390557372 /nfs/dbraw/zinc/55/73/72/390557372.db2.gz UKFHBEFTVISGQN-NFAWXSAZSA-N 2 1 281.400 0.498 10 0 CCAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000643960685 390609202 /nfs/dbraw/zinc/60/92/02/390609202.db2.gz ADKPBMCIDDQKJP-KFWWJZLASA-N 2 1 278.400 0.769 10 0 CCAEMP CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000132903147 411728420 /nfs/dbraw/zinc/72/84/20/411728420.db2.gz XOYBFKTTXAPBGL-ZIAGYGMSSA-N 2 1 294.443 0.413 10 0 CCAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)NCCOC ZINC000020316016 171146130 /nfs/dbraw/zinc/14/61/30/171146130.db2.gz FHLOJAOHFABYHY-LBPRGKRZSA-N 2 1 259.394 0.459 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105223 412220537 /nfs/dbraw/zinc/22/05/37/412220537.db2.gz LNNNYDXEVPNSLU-HBNTYKKESA-N 2 1 293.333 0.985 10 0 CCAEMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000653119398 412230096 /nfs/dbraw/zinc/23/00/96/412230096.db2.gz IDHHYKVGKDNVSK-LNFKQOIKSA-N 2 1 293.333 0.983 10 0 CCAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCNS(C)(=O)=O)C1 ZINC000037221743 173041654 /nfs/dbraw/zinc/04/16/54/173041654.db2.gz WIQUDLOLLNVAEC-OLZOCXBDSA-N 2 1 291.461 0.636 10 0 CCAEMP COC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589750 414730867 /nfs/dbraw/zinc/73/08/67/414730867.db2.gz DCHPPJJBPRIUAR-MNOVXSKESA-N 2 1 257.378 0.197 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000054307688 544443474 /nfs/dbraw/zinc/44/34/74/544443474.db2.gz UAVAWCXYCGNEGS-GJZGRUSLSA-N 2 1 295.427 0.699 10 0 CCAEMP CC1(OCC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[NH2+]C1 ZINC000098061730 544556301 /nfs/dbraw/zinc/55/63/01/544556301.db2.gz MXULQLGIDKZFMF-LBPRGKRZSA-N 2 1 267.373 0.062 10 0 CCAEMP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250200858 544922179 /nfs/dbraw/zinc/92/21/79/544922179.db2.gz BJRCVJBQMOESAL-RRFJBIMHSA-N 2 1 267.417 0.924 10 0 CCAEMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252587871 544929700 /nfs/dbraw/zinc/92/97/00/544929700.db2.gz AGMANHAXDRNZEA-RWMBFGLXSA-N 2 1 251.374 0.681 10 0 CCAEMP O=C(NC[C@H]1CC[NH2+]C1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000333729405 545042511 /nfs/dbraw/zinc/04/25/11/545042511.db2.gz HQDUGFIEVSWYJK-GXTWGEPZSA-N 2 1 280.416 0.912 10 0 CCAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000311020636 545012024 /nfs/dbraw/zinc/01/20/24/545012024.db2.gz LPIDAJFRYRQWPZ-UONOGXRCSA-N 2 1 258.406 0.924 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000311020636 545012025 /nfs/dbraw/zinc/01/20/25/545012025.db2.gz LPIDAJFRYRQWPZ-UONOGXRCSA-N 2 1 258.406 0.924 10 0 CCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCCO ZINC000311020636 545012027 /nfs/dbraw/zinc/01/20/27/545012027.db2.gz LPIDAJFRYRQWPZ-UONOGXRCSA-N 2 1 258.406 0.924 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000311688564 279328096 /nfs/dbraw/zinc/32/80/96/279328096.db2.gz KIWWWDQFVBXETR-LSDHHAIUSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311688564 279328098 /nfs/dbraw/zinc/32/80/98/279328098.db2.gz KIWWWDQFVBXETR-LSDHHAIUSA-N 2 1 269.433 0.858 10 0 CCAEMP CC[NH+]1CCC[C@H]1CN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311688564 279328099 /nfs/dbraw/zinc/32/80/99/279328099.db2.gz KIWWWDQFVBXETR-LSDHHAIUSA-N 2 1 269.433 0.858 10 0 CCAEMP CCN1CC[NH+]([C@H]2CCN(CC[NH2+]C(C)C)C2)CC1 ZINC000191488413 279372348 /nfs/dbraw/zinc/37/23/48/279372348.db2.gz RKSRWCZDOVOCTR-HNNXBMFYSA-N 2 1 268.449 0.696 10 0 CCAEMP CC[N@@H+]1CCO[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249125863 279386811 /nfs/dbraw/zinc/38/68/11/279386811.db2.gz QXBGTRVPMMLTQG-OCCSQVGLSA-N 2 1 281.400 0.450 10 0 CCAEMP CC[N@H+]1CCO[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249125863 279386812 /nfs/dbraw/zinc/38/68/12/279386812.db2.gz QXBGTRVPMMLTQG-OCCSQVGLSA-N 2 1 281.400 0.450 10 0 CCAEMP CCCN1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052422011 519858705 /nfs/dbraw/zinc/85/87/05/519858705.db2.gz RBQLVLNPMOHUEG-UONOGXRCSA-N 2 1 255.406 0.781 10 0 CCAEMP CC[NH2+][C@H](C)CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000061271381 520165803 /nfs/dbraw/zinc/16/58/03/520165803.db2.gz LYQHRUMIRLIOIZ-VXGBXAGGSA-N 2 1 253.390 0.975 10 0 CCAEMP CCCO[C@H]1CCC[N@@H+](CC2(O)CC[NH2+]CC2)C1 ZINC000051016147 520286400 /nfs/dbraw/zinc/28/64/00/520286400.db2.gz SCJJCDYDMXKNDX-ZDUSSCGKSA-N 2 1 256.390 0.992 10 0 CCAEMP CCO[C@H]1CCC[N@@H+](CCn2cc(C[NH2+]C)nn2)C1 ZINC000052372214 520527891 /nfs/dbraw/zinc/52/78/91/520527891.db2.gz PYXOVPVVKNTUHL-ZDUSSCGKSA-N 2 1 267.377 0.498 10 0 CCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049557549 521741638 /nfs/dbraw/zinc/74/16/38/521741638.db2.gz QQBSPJQLSXHTCR-NXEZZACHSA-N 2 1 258.366 0.150 10 0 CCAEMP C[C@@H]1CCC[NH2+][C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000051792506 524263292 /nfs/dbraw/zinc/26/32/92/524263292.db2.gz LDVIOBDMXPHETH-CHWSQXEVSA-N 2 1 269.389 0.213 10 0 CCAEMP C[NH2+]CCC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000262329224 536443474 /nfs/dbraw/zinc/44/34/74/536443474.db2.gz GLPLQVGGKZGOIY-LBPRGKRZSA-N 2 1 269.389 0.308 10 0 CCAEMP CCC(CC)[C@@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000262223662 535103545 /nfs/dbraw/zinc/10/35/45/535103545.db2.gz KXBKTDKCQLYBAZ-CQSZACIVSA-N 2 1 283.416 0.459 10 0 CCAEMP COC(C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)OC ZINC000136761518 616314654 /nfs/dbraw/zinc/31/46/54/616314654.db2.gz YWFYYNBHGOMGNK-LBPRGKRZSA-N 2 1 274.405 0.630 10 0 CCAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000311251096 623684212 /nfs/dbraw/zinc/68/42/12/623684212.db2.gz FAMHNKYFGYCFEU-GJZGRUSLSA-N 2 1 269.433 0.859 10 0 CCAEMP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251687428 624726706 /nfs/dbraw/zinc/72/67/06/624726706.db2.gz IEEPUJQHIIYNCI-AGIUHOORSA-N 2 1 269.389 0.435 10 0 CCAEMP C[C@]1(C[N@H+]2CC[C@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000104168508 632370585 /nfs/dbraw/zinc/37/05/85/632370585.db2.gz MWEUOTKTPUWXCS-GJZGRUSLSA-N 2 1 267.417 0.783 10 0 CCAEMP C(c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000091685632 649709789 /nfs/dbraw/zinc/70/97/89/649709789.db2.gz OHEQZEMPDPTDSZ-TUAOUCFPSA-N 2 1 278.356 0.900 10 0 CCAEMP C(c1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000091685632 649709790 /nfs/dbraw/zinc/70/97/90/649709790.db2.gz OHEQZEMPDPTDSZ-TUAOUCFPSA-N 2 1 278.356 0.900 10 0 CCAEMP C([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCOCC1 ZINC000091662409 349471372 /nfs/dbraw/zinc/47/13/72/349471372.db2.gz JZOCISFVLTWSKU-KGLIPLIRSA-N 2 1 254.374 0.866 10 0 CCAEMP C([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCOCC1 ZINC000091662409 349471375 /nfs/dbraw/zinc/47/13/75/349471375.db2.gz JZOCISFVLTWSKU-KGLIPLIRSA-N 2 1 254.374 0.866 10 0 CCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000111866929 349777336 /nfs/dbraw/zinc/77/73/36/349777336.db2.gz POSPLXCBYBZDOF-ZIAGYGMSSA-N 2 1 298.431 0.443 10 0 CCAEMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326129 362222441 /nfs/dbraw/zinc/22/24/41/362222441.db2.gz KHEDJZLAXYLHST-MNOVXSKESA-N 2 1 270.377 0.139 10 0 CCAEMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326129 362222445 /nfs/dbraw/zinc/22/24/45/362222445.db2.gz KHEDJZLAXYLHST-MNOVXSKESA-N 2 1 270.377 0.139 10 0 CCAEMP O=C(COC1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000113705054 349818663 /nfs/dbraw/zinc/81/86/63/349818663.db2.gz XAKTUZUUDBUIPT-CYBMUJFWSA-N 2 1 281.400 0.452 10 0 CCAEMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088370561 136796983 /nfs/dbraw/zinc/79/69/83/136796983.db2.gz SCMYPLPYXGPUBR-CYBMUJFWSA-N 2 1 269.389 0.306 10 0 CCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2ccncc2)n1 ZINC000262188785 137030133 /nfs/dbraw/zinc/03/01/33/137030133.db2.gz YAGSPIPMHVMLPT-TZMCWYRMSA-N 2 1 287.367 0.152 10 0 CCAEMP C[C@H]1C[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000262333591 137038991 /nfs/dbraw/zinc/03/89/91/137038991.db2.gz FFRWHEROVNURFX-KKUMJFAQSA-N 2 1 297.443 0.728 10 0 CCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263283157 137062493 /nfs/dbraw/zinc/06/24/93/137062493.db2.gz UOJBZBFJTPDHDP-IWCQGFGOSA-N 2 1 289.423 0.992 10 0 CCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000263243754 137061136 /nfs/dbraw/zinc/06/11/36/137061136.db2.gz OZDCKFBIYISWQS-DGCLKSJQSA-N 2 1 290.392 0.875 10 0 CCAEMP O=C(C[C@@H]1CCC[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC000054290699 348548080 /nfs/dbraw/zinc/54/80/80/348548080.db2.gz WMUDUTDMWBCOSM-ZDUSSCGKSA-N 2 1 269.389 0.215 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291532 348548129 /nfs/dbraw/zinc/54/81/29/348548129.db2.gz CPRXTYZRPPWGKS-STQMWFEESA-N 2 1 253.390 0.977 10 0 CCAEMP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054309012 348549364 /nfs/dbraw/zinc/54/93/64/348549364.db2.gz HFTSXYXDUAXLAB-VXGBXAGGSA-N 2 1 251.374 0.729 10 0 CCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129588591 350218056 /nfs/dbraw/zinc/21/80/56/350218056.db2.gz NZVCJGFIRNCBTP-CYBMUJFWSA-N 2 1 282.432 0.271 10 0 CCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105180068 186045114 /nfs/dbraw/zinc/04/51/14/186045114.db2.gz ZMPWOGFEQNMRAA-UONOGXRCSA-N 2 1 298.431 0.348 10 0 CCAEMP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCOC)[NH+](C)C ZINC000162014405 350733564 /nfs/dbraw/zinc/73/35/64/350733564.db2.gz ILHMAHVAUFXMES-KBPBESRZSA-N 2 1 285.432 0.944 10 0 CCAEMP CCC[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000162234223 350739141 /nfs/dbraw/zinc/73/91/41/350739141.db2.gz XBRVHOFCWWIHMY-UONOGXRCSA-N 2 1 285.432 0.801 10 0 CCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000182433337 351363020 /nfs/dbraw/zinc/36/30/20/351363020.db2.gz QBZLSMRXVSLAJW-QWHCGFSZSA-N 2 1 251.374 0.824 10 0 CCAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC000245969506 352343878 /nfs/dbraw/zinc/34/38/78/352343878.db2.gz VJLRMVAFWFCHSQ-KOLCDFICSA-N 2 1 279.344 0.239 10 0 CCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC000245969506 352343880 /nfs/dbraw/zinc/34/38/80/352343880.db2.gz VJLRMVAFWFCHSQ-KOLCDFICSA-N 2 1 279.344 0.239 10 0 CCAEMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631842604 370707632 /nfs/dbraw/zinc/70/76/32/370707632.db2.gz CPDWBYJVYZEONF-OCCSQVGLSA-N 2 1 261.369 0.829 10 0 CCAEMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631842604 370707638 /nfs/dbraw/zinc/70/76/38/370707638.db2.gz CPDWBYJVYZEONF-OCCSQVGLSA-N 2 1 261.369 0.829 10 0 CCAEMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842649 370707935 /nfs/dbraw/zinc/70/79/35/370707935.db2.gz DDLAQXOWFBPNAB-WOPDTQHZSA-N 2 1 253.390 0.960 10 0 CCAEMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842649 370707937 /nfs/dbraw/zinc/70/79/37/370707937.db2.gz DDLAQXOWFBPNAB-WOPDTQHZSA-N 2 1 253.390 0.960 10 0 CCAEMP Cc1cc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cn2cc[nH+]c12 ZINC000333288825 205187270 /nfs/dbraw/zinc/18/72/70/205187270.db2.gz IYIJMINNFGYDGU-RYUDHWBXSA-N 2 1 289.339 0.439 10 0 CCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000333493896 205372960 /nfs/dbraw/zinc/37/29/60/205372960.db2.gz CQCFZZGJGVXYDC-OCCSQVGLSA-N 2 1 280.416 0.934 10 0 CCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000638109916 374678093 /nfs/dbraw/zinc/67/80/93/374678093.db2.gz ZOAJIUIMCXPFAC-MBNYWOFBSA-N 2 1 267.373 0.060 10 0 CCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000638115840 374682240 /nfs/dbraw/zinc/68/22/40/374682240.db2.gz JPKFNDHOIYYTRK-OSFYFWSMSA-N 2 1 281.400 0.449 10 0 CCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000335285376 208102463 /nfs/dbraw/zinc/10/24/63/208102463.db2.gz MOBNLJXPOIWSFM-RYUDHWBXSA-N 2 1 254.378 0.474 10 0 CCAEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000336791728 389019922 /nfs/dbraw/zinc/01/99/22/389019922.db2.gz OSSUTNALBVGFOS-BFHYXJOUSA-N 2 1 256.390 0.990 10 0 CCAEMP C[C@@H](O)C[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1C ZINC000132283048 389223200 /nfs/dbraw/zinc/22/32/00/389223200.db2.gz VROKIYUOFMPWLD-HUUCEWRRSA-N 2 1 269.433 0.859 10 0 CCAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132341244 389223869 /nfs/dbraw/zinc/22/38/69/389223869.db2.gz QUALQCIKXIYSEL-NWDGAFQWSA-N 2 1 287.404 0.508 10 0 CCAEMP CCOC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247034904 389234673 /nfs/dbraw/zinc/23/46/73/389234673.db2.gz DJRCBKYSOVXGLW-QWHCGFSZSA-N 2 1 286.416 0.963 10 0 CCAEMP CCOC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247034904 389234675 /nfs/dbraw/zinc/23/46/75/389234675.db2.gz DJRCBKYSOVXGLW-QWHCGFSZSA-N 2 1 286.416 0.963 10 0 CCAEMP C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171897796 389482032 /nfs/dbraw/zinc/48/20/32/389482032.db2.gz RPKFFSWWABHJRL-CYBMUJFWSA-N 2 1 266.389 0.570 10 0 CCAEMP c1cc(NC[C@H]2C[NH2+]CCCO2)nc(N2CCCCC2)[nH+]1 ZINC000333671064 389439553 /nfs/dbraw/zinc/43/95/53/389439553.db2.gz NCLVTPFYIPXDDJ-CYBMUJFWSA-N 2 1 291.399 0.679 10 0 CCAEMP CCOCC[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000168045097 389448366 /nfs/dbraw/zinc/44/83/66/389448366.db2.gz SUYKPIPWHHYGDT-AWEZNQCLSA-N 2 1 297.443 0.945 10 0 CCAEMP CCOCC[N@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000168045097 389448367 /nfs/dbraw/zinc/44/83/67/389448367.db2.gz SUYKPIPWHHYGDT-AWEZNQCLSA-N 2 1 297.443 0.945 10 0 CCAEMP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000179251382 389648638 /nfs/dbraw/zinc/64/86/38/389648638.db2.gz ODTOZABBJMLOSA-OAHLLOKOSA-N 2 1 267.417 0.879 10 0 CCAEMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000179251382 389648641 /nfs/dbraw/zinc/64/86/41/389648641.db2.gz ODTOZABBJMLOSA-OAHLLOKOSA-N 2 1 267.417 0.879 10 0 CCAEMP COCC[N@@H+](C)CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180990153 389679368 /nfs/dbraw/zinc/67/93/68/389679368.db2.gz WUYNXZYGCMCDNL-AWEZNQCLSA-N 2 1 271.405 0.603 10 0 CCAEMP CCc1nnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1C ZINC000647951760 390225048 /nfs/dbraw/zinc/22/50/48/390225048.db2.gz DONVDZZGETYNIJ-NSHDSACASA-N 2 1 251.378 0.938 10 0 CCAEMP CCc1nnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1C ZINC000647951760 390225050 /nfs/dbraw/zinc/22/50/50/390225050.db2.gz DONVDZZGETYNIJ-NSHDSACASA-N 2 1 251.378 0.938 10 0 CCAEMP COC[C@@]1(C(=O)N2CC[NH+](C3CCC3)CC2)CCC[NH2+]1 ZINC000649334190 390589669 /nfs/dbraw/zinc/58/96/69/390589669.db2.gz QVIKYDWJFOELLH-OAHLLOKOSA-N 2 1 281.400 0.452 10 0 CCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000389083882 397509319 /nfs/dbraw/zinc/50/93/19/397509319.db2.gz LXMNPWFWPGQFRA-ILXRZTDVSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000389083882 397509321 /nfs/dbraw/zinc/50/93/21/397509321.db2.gz LXMNPWFWPGQFRA-ILXRZTDVSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000389083882 397509323 /nfs/dbraw/zinc/50/93/23/397509323.db2.gz LXMNPWFWPGQFRA-ILXRZTDVSA-N 2 1 270.417 0.926 10 0 CCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000389083882 397509325 /nfs/dbraw/zinc/50/93/25/397509325.db2.gz LXMNPWFWPGQFRA-ILXRZTDVSA-N 2 1 270.417 0.926 10 0 CCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000335593650 297533312 /nfs/dbraw/zinc/53/33/12/297533312.db2.gz JTVWBUKOCYDITJ-AAEUAGOBSA-N 2 1 251.374 0.681 10 0 CCAEMP [NH3+]C[C@@H](c1ccccc1F)N1CC[NH+](CCO)CC1 ZINC000020225593 171088864 /nfs/dbraw/zinc/08/88/64/171088864.db2.gz HVKYRLCOWLJVMD-AWEZNQCLSA-N 2 1 267.348 0.435 10 0 CCAEMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000653115663 412225794 /nfs/dbraw/zinc/22/57/94/412225794.db2.gz WSKPZEWTKCHOPI-GHMZBOCLSA-N 2 1 293.333 0.985 10 0 CCAEMP C[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653130498 412235512 /nfs/dbraw/zinc/23/55/12/412235512.db2.gz OUIZFQAIQHEQBR-NXEZZACHSA-N 2 1 279.306 0.548 10 0 CCAEMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccco1 ZINC000040430438 174259632 /nfs/dbraw/zinc/25/96/32/174259632.db2.gz DIKKJIPIMWMJDW-GHMZBOCLSA-N 2 1 251.330 0.751 10 0 CCAEMP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000662260395 414701223 /nfs/dbraw/zinc/70/12/23/414701223.db2.gz MFJZJCVCVGUSCE-KGLIPLIRSA-N 2 1 265.401 0.678 10 0 CCAEMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000662260395 414701224 /nfs/dbraw/zinc/70/12/24/414701224.db2.gz MFJZJCVCVGUSCE-KGLIPLIRSA-N 2 1 265.401 0.678 10 0 CCAEMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000662260395 414701225 /nfs/dbraw/zinc/70/12/25/414701225.db2.gz MFJZJCVCVGUSCE-KGLIPLIRSA-N 2 1 265.401 0.678 10 0 CCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264524 414702725 /nfs/dbraw/zinc/70/27/25/414702725.db2.gz SGJRNJPMOYHUGF-MCIONIFRSA-N 2 1 265.401 0.676 10 0 CCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662854830 414846956 /nfs/dbraw/zinc/84/69/56/414846956.db2.gz VGFRELLWKLFPCH-LBPRGKRZSA-N 2 1 283.416 0.731 10 0 CCAEMP [NH3+]C1(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC1 ZINC000094294576 544543991 /nfs/dbraw/zinc/54/39/91/544543991.db2.gz QFLSDUPNDAFRKS-GFCCVEGCSA-N 2 1 251.374 0.955 10 0 CCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)COCC[NH3+] ZINC000094447073 544544369 /nfs/dbraw/zinc/54/43/69/544544369.db2.gz SZUUGBDLRCMPMS-NWDGAFQWSA-N 2 1 255.362 0.047 10 0 CCAEMP CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094569931 544544872 /nfs/dbraw/zinc/54/48/72/544544872.db2.gz KUKBAMQQHMWLTK-SNVBAGLBSA-N 2 1 251.330 0.952 10 0 CCAEMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461841 544514169 /nfs/dbraw/zinc/51/41/69/544514169.db2.gz KEULMXKAVVUUQI-NEPJUHHUSA-N 2 1 257.378 0.056 10 0 CCAEMP CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000178775085 544748731 /nfs/dbraw/zinc/74/87/31/544748731.db2.gz JQNIFAVDQARWIH-OLZOCXBDSA-N 2 1 283.416 0.562 10 0 CCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)COCC[NH3+] ZINC000251867549 544928229 /nfs/dbraw/zinc/92/82/29/544928229.db2.gz SZUUGBDLRCMPMS-NEPJUHHUSA-N 2 1 255.362 0.047 10 0 CCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181409868 276285368 /nfs/dbraw/zinc/28/53/68/276285368.db2.gz RHLUWGOYKIXMQA-RYUDHWBXSA-N 2 1 265.361 0.020 10 0 CCAEMP CC(C)(C)OC(=O)N1CCC([NH+]2CC([C@@H]([NH3+])CO)C2)CC1 ZINC000090410981 277180971 /nfs/dbraw/zinc/18/09/71/277180971.db2.gz GGTBLAXNVIUSMZ-ZDUSSCGKSA-N 2 1 299.415 0.637 10 0 CCAEMP C[C@@]1(C[N@H+]2CC[C@@H](N3CCOCC3)C2)CC[NH2+]C1 ZINC000222905513 278121853 /nfs/dbraw/zinc/12/18/53/278121853.db2.gz XIUIIPKTTBDNAN-ZIAGYGMSSA-N 2 1 253.390 0.393 10 0 CCAEMP CC1(C)C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CC[C@H]1[NH3+] ZINC000261698952 281262222 /nfs/dbraw/zinc/26/22/22/281262222.db2.gz HZMMQUHLUKWZBD-VXGBXAGGSA-N 2 1 251.374 0.809 10 0 CCAEMP CC1(C)C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CC[C@H]1[NH3+] ZINC000261698952 281262224 /nfs/dbraw/zinc/26/22/24/281262224.db2.gz HZMMQUHLUKWZBD-VXGBXAGGSA-N 2 1 251.374 0.809 10 0 CCAEMP C[NH+](C)C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000161687508 289202183 /nfs/dbraw/zinc/20/21/83/289202183.db2.gz YBXSXQNMWFETMC-UONOGXRCSA-N 2 1 255.406 0.733 10 0 CCAEMP C[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261803858 300131474 /nfs/dbraw/zinc/13/14/74/300131474.db2.gz MUEXRRFZXZLTAR-XQLPTFJDSA-N 2 1 295.427 0.683 10 0 CCAEMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000408095736 300220056 /nfs/dbraw/zinc/22/00/56/300220056.db2.gz PRKPHWJYXGYSDS-YNEHKIRRSA-N 2 1 289.445 0.340 10 0 CCAEMP CCC(CC)NC(=O)C[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000049285429 521575022 /nfs/dbraw/zinc/57/50/22/521575022.db2.gz GXRRSPKJVCEJQC-UHFFFAOYSA-N 2 1 270.421 0.258 10 0 CCAEMP CCC(CC)NC(=O)C[N@H+]1CCCN(CC[NH3+])CC1 ZINC000049285429 521575028 /nfs/dbraw/zinc/57/50/28/521575028.db2.gz GXRRSPKJVCEJQC-UHFFFAOYSA-N 2 1 270.421 0.258 10 0 CCAEMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557548 521742290 /nfs/dbraw/zinc/74/22/90/521742290.db2.gz QQBSPJQLSXHTCR-UWVGGRQHSA-N 2 1 258.366 0.150 10 0 CCAEMP C[NH2+]Cc1cn(CC[NH+]2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000052380544 522145895 /nfs/dbraw/zinc/14/58/95/522145895.db2.gz QIUBWOJTLWOCQZ-GHMZBOCLSA-N 2 1 253.350 0.107 10 0 CCAEMP C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055145249 523879814 /nfs/dbraw/zinc/87/98/14/523879814.db2.gz IOXKPAHBQKKNMI-STQMWFEESA-N 2 1 253.390 0.916 10 0 CCAEMP C[C@@H](CC[NH+](C)C)[NH2+]CC(=O)NCC(F)(F)F ZINC000049557093 524474825 /nfs/dbraw/zinc/47/48/25/524474825.db2.gz YWYZKADWLFYXOL-QMMMGPOBSA-N 2 1 255.284 0.595 10 0 CCAEMP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604630 524697309 /nfs/dbraw/zinc/69/73/09/524697309.db2.gz AOJSAOHONSFMBY-AVGNSLFASA-N 2 1 274.430 0.599 10 0 CCAEMP [NH3+]CCCCC[N@H+]1CCCN(C(=O)NC2CC2)CC1 ZINC000054456949 527174632 /nfs/dbraw/zinc/17/46/32/527174632.db2.gz GPLBNSJOUCYWQF-UHFFFAOYSA-N 2 1 268.405 0.995 10 0 CCAEMP Cc1[nH+]ccn1CCn1nc2c(cc1=O)C[NH2+]CC2 ZINC000063169852 527437265 /nfs/dbraw/zinc/43/72/65/527437265.db2.gz QXFGXCOVQIZISK-UHFFFAOYSA-N 2 1 259.313 0.094 10 0 CCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900378409 614214552 /nfs/dbraw/zinc/21/45/52/614214552.db2.gz QUGJBPGQRAYGAF-UMVBOHGHSA-N 2 1 285.432 0.534 10 0 CCAEMP C[C@@H]1CN(C(=O)CCCCC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000155819678 649293371 /nfs/dbraw/zinc/29/33/71/649293371.db2.gz JSKBASRHIJOCSW-KGLIPLIRSA-N 2 1 283.416 0.685 10 0 CCAEMP