smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000093190978 415188368 /nfs/dbraw/zinc/18/83/68/415188368.db2.gz NDDRDCLETKZZLY-HNNXBMFYSA-N 2 0 337.468 -1.001 20 0 EAADRP CN1CCN(C(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000093190980 374882060 /nfs/dbraw/zinc/88/20/60/374882060.db2.gz NDDRDCLETKZZLY-OAHLLOKOSA-N 2 0 337.468 -1.001 20 0 EAADRP Cn1c(=O)ccn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1=O ZINC000103213127 374749875 /nfs/dbraw/zinc/74/98/75/374749875.db2.gz IQTYLRDNJJXQPP-UHFFFAOYSA-N 2 0 325.413 -1.501 20 0 EAADRP CN1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C[NH3+])C1 ZINC000162517309 374848852 /nfs/dbraw/zinc/84/88/52/374848852.db2.gz ZWFISAGBSMDKAJ-JTQLQIEISA-N 2 0 349.395 -2.465 20 0 EAADRP CN1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C[NH3+])C1 ZINC000162517477 374849756 /nfs/dbraw/zinc/84/97/56/374849756.db2.gz ZWFISAGBSMDKAJ-SNVBAGLBSA-N 2 0 349.395 -2.465 20 0 EAADRP CN(CCN1CCOCC1)CC(O)C[N@H+](C)CCN1CCOCC1 ZINC000194475222 415219383 /nfs/dbraw/zinc/21/93/83/415219383.db2.gz QXYCZKHVKKJYJH-UHFFFAOYSA-N 2 0 344.500 -1.125 20 0 EAADRP O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195226826 265079595 /nfs/dbraw/zinc/07/95/95/265079595.db2.gz FKIHHUNICCYPFU-KFWWJZLASA-N 2 0 336.436 -1.155 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000237160435 414849647 /nfs/dbraw/zinc/84/96/47/414849647.db2.gz YYKKVJMIIUZCDY-AWEZNQCLSA-N 2 0 325.457 -1.192 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000237161986 265148645 /nfs/dbraw/zinc/14/86/45/265148645.db2.gz YYKKVJMIIUZCDY-CQSZACIVSA-N 2 0 325.457 -1.192 20 0 EAADRP C[C@@H]1CN(C(=O)C[C@@]2(C(=O)N3CC[NH2+][C@@H](C)C3)CC[NH2+]C2)CC[NH2+]1 ZINC000237585533 265227436 /nfs/dbraw/zinc/22/74/36/265227436.db2.gz NWFQERLHKKNEMV-KEYYUXOJSA-N 3 0 337.468 -1.003 20 0 EAADRP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3CC[NH2+][C@@H](C)C3)CC[NH2+]C2)CC[NH2+]1 ZINC000237587056 415159196 /nfs/dbraw/zinc/15/91/96/415159196.db2.gz NWFQERLHKKNEMV-JKIFEVAISA-N 3 0 337.468 -1.003 20 0 EAADRP C[C@H]1CN(C(=O)C[C@@]2(C(=O)N3CC[NH2+][C@@H](C)C3)CC[NH2+]C2)CC[NH2+]1 ZINC000237742798 545692676 /nfs/dbraw/zinc/69/26/76/545692676.db2.gz NWFQERLHKKNEMV-ZQIUZPCESA-N 3 0 337.468 -1.003 20 0 EAADRP C[C@H]1CN(C(=O)C[C@]2(C(=O)N3CC[NH2+][C@@H](C)C3)CC[NH2+]C2)CC[NH2+]1 ZINC000237744287 545693191 /nfs/dbraw/zinc/69/31/91/545693191.db2.gz NWFQERLHKKNEMV-GRDNDAEWSA-N 3 0 337.468 -1.003 20 0 EAADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261599543 374334545 /nfs/dbraw/zinc/33/45/45/374334545.db2.gz AUCYLAJNIKQFFE-CYBMUJFWSA-N 2 0 341.456 -1.242 20 0 EAADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261599545 265065647 /nfs/dbraw/zinc/06/56/47/265065647.db2.gz AUCYLAJNIKQFFE-ZDUSSCGKSA-N 2 0 341.456 -1.242 20 0 EAADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000261606290 265208769 /nfs/dbraw/zinc/20/87/69/265208769.db2.gz CTFYRTLJWMYYME-AWEZNQCLSA-N 2 0 339.440 -1.536 20 0 EAADRP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000261606293 265130644 /nfs/dbraw/zinc/13/06/44/265130644.db2.gz CTFYRTLJWMYYME-CQSZACIVSA-N 2 0 339.440 -1.536 20 0 EAADRP Cn1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c(=O)n(C)c1=O ZINC000261927891 374843649 /nfs/dbraw/zinc/84/36/49/374843649.db2.gz CJEMBMFURBZOIF-ZDUSSCGKSA-N 2 0 337.424 -1.097 20 0 EAADRP Cn1ccnc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1=O ZINC000261973812 264714240 /nfs/dbraw/zinc/71/42/40/264714240.db2.gz BPNYVOBLGFRSPA-UHFFFAOYSA-N 2 0 334.424 -1.276 20 0 EAADRP CN1CCN(S(=O)(=O)N2CCN(C(=O)C(C)(C)[NH3+])CC2)CC1 ZINC000262144911 265322944 /nfs/dbraw/zinc/32/29/44/265322944.db2.gz MNKQLDJTDWSQIH-UHFFFAOYSA-N 2 0 333.458 -1.640 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262417077 375056797 /nfs/dbraw/zinc/05/67/97/375056797.db2.gz QITTUNZPECCXJC-UHFFFAOYSA-N 2 0 333.436 -1.005 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000262556853 265016380 /nfs/dbraw/zinc/01/63/80/265016380.db2.gz VDWPSCSNDGEOLZ-ARFHVFGLSA-N 2 0 340.468 -1.037 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C1 ZINC000262556855 265375327 /nfs/dbraw/zinc/37/53/27/265375327.db2.gz VDWPSCSNDGEOLZ-BZUAXINKSA-N 2 0 340.468 -1.037 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)C1 ZINC000262556859 414925711 /nfs/dbraw/zinc/92/57/11/414925711.db2.gz VDWPSCSNDGEOLZ-OAGGEKHMSA-N 2 0 340.468 -1.037 20 0 EAADRP COCC[NH2+]CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262654562 265230897 /nfs/dbraw/zinc/23/08/97/265230897.db2.gz CBTYBGTVMMPYDO-CYBMUJFWSA-N 2 0 328.413 -1.728 20 0 EAADRP O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1C[NH2+]CCO1 ZINC000262660906 265026951 /nfs/dbraw/zinc/02/69/51/265026951.db2.gz FYROLWGAESIZMR-QWHCGFSZSA-N 2 0 326.397 -1.976 20 0 EAADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262907118 265365050 /nfs/dbraw/zinc/36/50/50/265365050.db2.gz QHDMDFVHEVGXBD-CHWSQXEVSA-N 2 0 328.413 -1.601 20 0 EAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000263251431 265205286 /nfs/dbraw/zinc/20/52/86/265205286.db2.gz OUAMKBRURFZSAD-HNNXBMFYSA-N 2 0 341.456 -1.292 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274420605 265186199 /nfs/dbraw/zinc/18/61/99/265186199.db2.gz LEFHCQLJKCGYCH-UHFFFAOYSA-N 2 0 334.424 -1.215 20 0 EAADRP COc1cc(CN2C[C@@H](O)[C@@H](O)C2)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000292975405 265269053 /nfs/dbraw/zinc/26/90/53/265269053.db2.gz QKWBJHLWBOQRJO-WNKDZCFJSA-N 2 0 338.404 -1.230 20 0 EAADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000303281348 414993069 /nfs/dbraw/zinc/99/30/69/414993069.db2.gz MFVXXBDILLBSHV-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000303281353 374664469 /nfs/dbraw/zinc/66/44/69/374664469.db2.gz MFVXXBDILLBSHV-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP CN(C)CC(=O)N1CCN(C(=O)C[NH+](C)C)C[C@@H]1C(=O)N(C)C ZINC000331276500 265090475 /nfs/dbraw/zinc/09/04/75/265090475.db2.gz QXCPWTCZWXZWBB-GFCCVEGCSA-N 2 0 327.429 -1.763 20 0 EAADRP CN(C)CC(=O)N1CCN(C(=O)C[NH+](C)C)C[C@H]1C(=O)N(C)C ZINC000331276503 265162173 /nfs/dbraw/zinc/16/21/73/265162173.db2.gz QXCPWTCZWXZWBB-LBPRGKRZSA-N 2 0 327.429 -1.763 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000331407454 265086321 /nfs/dbraw/zinc/08/63/21/265086321.db2.gz OQNCWGVGMVDEMO-HZSPNIEDSA-N 2 0 334.424 -1.164 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000331407456 415069934 /nfs/dbraw/zinc/06/99/34/415069934.db2.gz OQNCWGVGMVDEMO-MELADBBJSA-N 2 0 334.424 -1.164 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@@H]1[NH+](C)C ZINC000331627952 265358276 /nfs/dbraw/zinc/35/82/76/265358276.db2.gz GOPDCVFNGYONNA-ILXRZTDVSA-N 2 0 337.468 -1.099 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1[NH+](C)C ZINC000331627972 415071867 /nfs/dbraw/zinc/07/18/67/415071867.db2.gz GOPDCVFNGYONNA-QLFBSQMISA-N 2 0 337.468 -1.099 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1[NH+](C)C ZINC000331627974 415073787 /nfs/dbraw/zinc/07/37/87/415073787.db2.gz GOPDCVFNGYONNA-RBSFLKMASA-N 2 0 337.468 -1.099 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000331688135 374740161 /nfs/dbraw/zinc/74/01/61/374740161.db2.gz AOVRRQLLXLSJBK-KFWWJZLASA-N 2 0 337.468 -1.099 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000331688137 265325638 /nfs/dbraw/zinc/32/56/38/265325638.db2.gz AOVRRQLLXLSJBK-RBSFLKMASA-N 2 0 337.468 -1.099 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000331688139 415073068 /nfs/dbraw/zinc/07/30/68/415073068.db2.gz AOVRRQLLXLSJBK-RRFJBIMHSA-N 2 0 337.468 -1.099 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000331688140 415074562 /nfs/dbraw/zinc/07/45/62/415074562.db2.gz AOVRRQLLXLSJBK-ZNMIVQPWSA-N 2 0 337.468 -1.099 20 0 EAADRP CN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331707437 265255444 /nfs/dbraw/zinc/25/54/44/265255444.db2.gz ASNPTALIXUGILG-ILXRZTDVSA-N 2 0 338.452 -1.032 20 0 EAADRP CN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331707452 415074477 /nfs/dbraw/zinc/07/44/77/415074477.db2.gz ASNPTALIXUGILG-KKUMJFAQSA-N 2 0 338.452 -1.032 20 0 EAADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000331928492 265347681 /nfs/dbraw/zinc/34/76/81/265347681.db2.gz DEHJNABPLHTTBD-AWEZNQCLSA-N 2 0 325.457 -1.097 20 0 EAADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000331928518 415073381 /nfs/dbraw/zinc/07/33/81/415073381.db2.gz DEHJNABPLHTTBD-CQSZACIVSA-N 2 0 325.457 -1.097 20 0 EAADRP CCN1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000331945990 265031535 /nfs/dbraw/zinc/03/15/35/265031535.db2.gz NUHCWZUQXYHBSC-UONOGXRCSA-N 2 0 334.424 -1.163 20 0 EAADRP CC[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332221533 265288777 /nfs/dbraw/zinc/28/87/77/265288777.db2.gz XYRYWYBIEBOCKK-ILXRZTDVSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H](C(=O)NC[C@@](C)(O)CN1CCOCC1)N1CCN(C)CC1 ZINC000332959720 374853649 /nfs/dbraw/zinc/85/36/49/374853649.db2.gz CQEZLEYIRYDUKT-GOEBONIOSA-N 2 0 328.457 -1.178 20 0 EAADRP C[C@@H](C(=O)NC[C@](C)(O)CN1CCOCC1)N1CCN(C)CC1 ZINC000332959721 374855062 /nfs/dbraw/zinc/85/50/62/374855062.db2.gz CQEZLEYIRYDUKT-HOCLYGCPSA-N 2 0 328.457 -1.178 20 0 EAADRP CN1CCN(S(=O)(=O)N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)CC1 ZINC000333224295 265330493 /nfs/dbraw/zinc/33/04/93/265330493.db2.gz ARBMUQDBKYKDIF-UHFFFAOYSA-N 2 0 345.469 -1.768 20 0 EAADRP CN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000333387758 415081908 /nfs/dbraw/zinc/08/19/08/415081908.db2.gz CAWXUTDOIUIVFW-STQMWFEESA-N 2 0 328.413 -1.778 20 0 EAADRP C[N@H+](CCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C1CC1 ZINC000333448051 265047148 /nfs/dbraw/zinc/04/71/48/265047148.db2.gz XCLOSPGVWLZZEF-UHFFFAOYSA-N 2 0 345.469 -1.291 20 0 EAADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000333498351 265023354 /nfs/dbraw/zinc/02/33/54/265023354.db2.gz FDPFQBSKLXKTFJ-LBPRGKRZSA-N 2 0 345.469 -1.385 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333542492 415079614 /nfs/dbraw/zinc/07/96/14/415079614.db2.gz ODBFQSJUAQCEGI-KBPBESRZSA-N 2 0 339.440 -1.077 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333542493 265037123 /nfs/dbraw/zinc/03/71/23/265037123.db2.gz ODBFQSJUAQCEGI-KGLIPLIRSA-N 2 0 339.440 -1.077 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333542494 415079408 /nfs/dbraw/zinc/07/94/08/415079408.db2.gz ODBFQSJUAQCEGI-UONOGXRCSA-N 2 0 339.440 -1.077 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333542495 415081336 /nfs/dbraw/zinc/08/13/36/415081336.db2.gz ODBFQSJUAQCEGI-ZIAGYGMSSA-N 2 0 339.440 -1.077 20 0 EAADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000333647081 265049959 /nfs/dbraw/zinc/04/99/59/265049959.db2.gz JEYMCGYYVHJHKN-WCQYABFASA-N 2 0 345.469 -1.244 20 0 EAADRP [NH3+]C1CCC(NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 ZINC000333680700 265020183 /nfs/dbraw/zinc/02/01/83/265020183.db2.gz OTJLVQUQUOXTLU-UHFFFAOYSA-N 2 0 345.469 -1.115 20 0 EAADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 ZINC000333729082 265214575 /nfs/dbraw/zinc/21/45/75/265214575.db2.gz VWBHPMJKXUEPHX-RYUDHWBXSA-N 2 0 345.469 -1.257 20 0 EAADRP CN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC000333777224 374746505 /nfs/dbraw/zinc/74/65/05/374746505.db2.gz ZOLURZSEHFQPFY-QWHCGFSZSA-N 2 0 340.424 -1.587 20 0 EAADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000333813638 265153838 /nfs/dbraw/zinc/15/38/38/265153838.db2.gz JSQRPOHKFRVCHS-GFCCVEGCSA-N 2 0 345.469 -1.385 20 0 EAADRP C[C@@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC[NH2+]1 ZINC000333854258 265014296 /nfs/dbraw/zinc/01/42/96/265014296.db2.gz QNWWVUBPQZFKDC-VXGBXAGGSA-N 2 0 345.469 -1.244 20 0 EAADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000333951616 265113753 /nfs/dbraw/zinc/11/37/53/265113753.db2.gz ZEGFHDVBEQGJAY-GFCCVEGCSA-N 2 0 345.469 -1.291 20 0 EAADRP CN1CCN(C(=O)CCNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000337390626 414913814 /nfs/dbraw/zinc/91/38/14/414913814.db2.gz KOVFPYFBCBGBOO-HNNXBMFYSA-N 2 0 329.445 -1.238 20 0 EAADRP O=C(C[NH+]1CC[C@H](O)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000337987204 414917702 /nfs/dbraw/zinc/91/77/02/414917702.db2.gz WHHBSFJJEIANNJ-KBPBESRZSA-N 2 0 340.424 -2.210 20 0 EAADRP O=C(C[NH+]1CC[C@@H](O)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000337987205 265317003 /nfs/dbraw/zinc/31/70/03/265317003.db2.gz WHHBSFJJEIANNJ-OKILXGFUSA-N 2 0 340.424 -2.210 20 0 EAADRP O=C(C[NH+]1CC[C@@H](O)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000337987206 414917205 /nfs/dbraw/zinc/91/72/05/414917205.db2.gz WHHBSFJJEIANNJ-ZIAGYGMSSA-N 2 0 340.424 -2.210 20 0 EAADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000338304003 265048766 /nfs/dbraw/zinc/04/87/66/265048766.db2.gz FWPQTUXYUGNXJI-ZDUSSCGKSA-N 2 0 347.485 -1.344 20 0 EAADRP C[C@H](CO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)CO)CC1 ZINC000338593081 414920627 /nfs/dbraw/zinc/92/06/27/414920627.db2.gz RCWZLRLTSYSIIO-OKILXGFUSA-N 2 0 344.456 -1.718 20 0 EAADRP C[C@H](CO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)CO)CC1 ZINC000338593082 265278947 /nfs/dbraw/zinc/27/89/47/265278947.db2.gz RCWZLRLTSYSIIO-ZIAGYGMSSA-N 2 0 344.456 -1.718 20 0 EAADRP CNS(=O)(=O)NCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000339274752 414926202 /nfs/dbraw/zinc/92/62/02/414926202.db2.gz IYYUTDQWGPAUBG-UHFFFAOYSA-N 2 0 337.490 -1.228 20 0 EAADRP Cn1cnc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000339877935 545712845 /nfs/dbraw/zinc/71/28/45/545712845.db2.gz HXKZZVHOLKQVHY-UHFFFAOYSA-N 2 0 339.444 -0.514 20 0 EAADRP CN1CCN(C(=O)CCNC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000340236738 265030153 /nfs/dbraw/zinc/03/01/53/265030153.db2.gz PTPLAZNALQOABA-UHFFFAOYSA-N 2 0 339.440 -1.523 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000340266612 265347083 /nfs/dbraw/zinc/34/70/83/265347083.db2.gz YVWZGCSNMFMIGX-ZDUSSCGKSA-N 2 0 330.429 -1.482 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000340575730 265178183 /nfs/dbraw/zinc/17/81/83/265178183.db2.gz QEIIESCKPOYKPH-AWEZNQCLSA-N 2 0 343.472 -1.567 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000340575731 414992649 /nfs/dbraw/zinc/99/26/49/414992649.db2.gz QEIIESCKPOYKPH-CQSZACIVSA-N 2 0 343.472 -1.567 20 0 EAADRP COCCN(C)CC(=O)N1CCN(C(=O)CN(C)CCOC)CC1 ZINC000340766561 265069173 /nfs/dbraw/zinc/06/91/73/265069173.db2.gz GCTDXBXUFUADBD-UHFFFAOYSA-N 2 0 344.456 -1.186 20 0 EAADRP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000341290445 414997726 /nfs/dbraw/zinc/99/77/26/414997726.db2.gz PRQLNTRIJKDGFO-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000341290446 265109780 /nfs/dbraw/zinc/10/97/80/265109780.db2.gz PRQLNTRIJKDGFO-OKILXGFUSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000341290447 374664090 /nfs/dbraw/zinc/66/40/90/374664090.db2.gz PRQLNTRIJKDGFO-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C1CC1 ZINC000342094400 265157803 /nfs/dbraw/zinc/15/78/03/265157803.db2.gz YAOPYWYXFPFQRX-GXTWGEPZSA-N 2 0 325.457 -1.053 20 0 EAADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C1CC1 ZINC000342094402 265079683 /nfs/dbraw/zinc/07/96/83/265079683.db2.gz YAOPYWYXFPFQRX-OCCSQVGLSA-N 2 0 325.457 -1.053 20 0 EAADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C1CC1 ZINC000342094403 265014413 /nfs/dbraw/zinc/01/44/13/265014413.db2.gz YAOPYWYXFPFQRX-TZMCWYRMSA-N 2 0 325.457 -1.053 20 0 EAADRP CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343284571 374686315 /nfs/dbraw/zinc/68/63/15/374686315.db2.gz HDDXMDIJPSMQCJ-AWEZNQCLSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000343611741 374693100 /nfs/dbraw/zinc/69/31/00/374693100.db2.gz YIGRWYLVHZMFHH-CABCVRRESA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000343611752 374692896 /nfs/dbraw/zinc/69/28/96/374692896.db2.gz YIGRWYLVHZMFHH-GJZGRUSLSA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000343611754 265260528 /nfs/dbraw/zinc/26/05/28/265260528.db2.gz YIGRWYLVHZMFHH-HUUCEWRRSA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000343611756 415029365 /nfs/dbraw/zinc/02/93/65/415029365.db2.gz YIGRWYLVHZMFHH-LSDHHAIUSA-N 2 0 337.468 -1.097 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCOC[C@H]2C)C1 ZINC000343885645 374692374 /nfs/dbraw/zinc/69/23/74/374692374.db2.gz HQDJWYJEGJGYRW-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000344611910 374698685 /nfs/dbraw/zinc/69/86/85/374698685.db2.gz CKDQAVGQBPYSGP-AWEZNQCLSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000344611911 265161531 /nfs/dbraw/zinc/16/15/31/265161531.db2.gz CKDQAVGQBPYSGP-CQSZACIVSA-N 2 0 326.441 -1.031 20 0 EAADRP CC(=O)NCC(=O)NCC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000344750374 265396925 /nfs/dbraw/zinc/39/69/25/265396925.db2.gz UXYJSTMLCZHDHY-UHFFFAOYSA-N 2 0 341.456 -1.277 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)NCCN2CC[NH+](C)CC2)CC1=O ZINC000345792880 415038284 /nfs/dbraw/zinc/03/82/84/415038284.db2.gz VXPFWQYCYZREGC-CQSZACIVSA-N 2 0 325.457 -1.240 20 0 EAADRP CC[N@H+](CCO)CCNC(=O)NC1CCN(CC(=O)NC)CC1 ZINC000347054362 265084694 /nfs/dbraw/zinc/08/46/94/265084694.db2.gz NODCLYOKFWRJKW-UHFFFAOYSA-N 2 0 329.445 -1.190 20 0 EAADRP Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000347121463 374710487 /nfs/dbraw/zinc/71/04/87/374710487.db2.gz PAUYYUMXEKQHSZ-CYBMUJFWSA-N 2 0 349.435 -1.272 20 0 EAADRP OC[C@H]1CC[C@H](CO)[NH+]1CCOCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305006 265211758 /nfs/dbraw/zinc/21/17/58/265211758.db2.gz IEYYAWXLFGKDSN-FPCVCCKLSA-N 2 0 332.441 -1.362 20 0 EAADRP OC[C@H]1CC[C@@H](CO)[NH+]1CCOCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305056 265128648 /nfs/dbraw/zinc/12/86/48/265128648.db2.gz IEYYAWXLFGKDSN-GEEKYZPCSA-N 2 0 332.441 -1.362 20 0 EAADRP OC[C@@H]1CC[C@@H](CO)[NH+]1CCOCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347305058 265200448 /nfs/dbraw/zinc/20/04/48/265200448.db2.gz IEYYAWXLFGKDSN-VGWMRTNUSA-N 2 0 332.441 -1.362 20 0 EAADRP C[NH+](C)CCNS(=O)(=O)CCCS(=O)(=O)NCC[NH+](C)C ZINC000347405589 265202086 /nfs/dbraw/zinc/20/20/86/265202086.db2.gz AWFDDQIOPNBXLY-UHFFFAOYSA-N 2 0 344.503 -1.662 20 0 EAADRP C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000347476633 265180329 /nfs/dbraw/zinc/18/03/29/265180329.db2.gz OUOXCASLLSQRBR-LBPRGKRZSA-N 2 0 341.437 -1.003 20 0 EAADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CNC(=O)C[NH3+])CC1 ZINC000347612149 415048085 /nfs/dbraw/zinc/04/80/85/415048085.db2.gz IQKOLIKABYYUDJ-UHFFFAOYSA-N 2 0 341.456 -1.196 20 0 EAADRP CC[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)C[NH3+])cn2)CC1 ZINC000347645466 265090400 /nfs/dbraw/zinc/09/04/00/265090400.db2.gz DGYFBKGFLSGBOV-UHFFFAOYSA-N 2 0 334.424 -1.085 20 0 EAADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000347691202 265342337 /nfs/dbraw/zinc/34/23/37/265342337.db2.gz MXFCXMDTUUPUPA-GFCCVEGCSA-N 2 0 341.412 -2.547 20 0 EAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347957329 415052057 /nfs/dbraw/zinc/05/20/57/415052057.db2.gz DGUBWLKOFSYDBN-BPLDGKMQSA-N 2 0 337.468 -1.053 20 0 EAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347957330 265377778 /nfs/dbraw/zinc/37/77/78/265377778.db2.gz DGUBWLKOFSYDBN-SNPRPXQTSA-N 2 0 337.468 -1.053 20 0 EAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347957331 415050415 /nfs/dbraw/zinc/05/04/15/415050415.db2.gz DGUBWLKOFSYDBN-VHDGCEQUSA-N 2 0 337.468 -1.053 20 0 EAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347957332 265253872 /nfs/dbraw/zinc/25/38/72/265253872.db2.gz DGUBWLKOFSYDBN-YUELXQCFSA-N 2 0 337.468 -1.053 20 0 EAADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347960495 265218204 /nfs/dbraw/zinc/21/82/04/265218204.db2.gz HHXLBXVNXAAUDR-AWEZNQCLSA-N 2 0 325.457 -1.099 20 0 EAADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347960496 374714855 /nfs/dbraw/zinc/71/48/55/374714855.db2.gz HHXLBXVNXAAUDR-CQSZACIVSA-N 2 0 325.457 -1.099 20 0 EAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347962500 265104951 /nfs/dbraw/zinc/10/49/51/265104951.db2.gz JDEDYBMMUKMIJA-AWEZNQCLSA-N 2 0 325.457 -1.097 20 0 EAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347962609 265268254 /nfs/dbraw/zinc/26/82/54/265268254.db2.gz JDEDYBMMUKMIJA-CQSZACIVSA-N 2 0 325.457 -1.097 20 0 EAADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347963067 415052091 /nfs/dbraw/zinc/05/20/91/415052091.db2.gz JOIHAJQORUKKLG-KBPBESRZSA-N 2 0 325.457 -1.099 20 0 EAADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347963582 265329402 /nfs/dbraw/zinc/32/94/02/265329402.db2.gz JOIHAJQORUKKLG-UONOGXRCSA-N 2 0 325.457 -1.099 20 0 EAADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347963583 374714023 /nfs/dbraw/zinc/71/40/23/374714023.db2.gz JOIHAJQORUKKLG-ZIAGYGMSSA-N 2 0 325.457 -1.099 20 0 EAADRP 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C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354741864 415094501 /nfs/dbraw/zinc/09/45/01/415094501.db2.gz PFCSRIMWZWZVBG-KBPBESRZSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354741871 415092184 /nfs/dbraw/zinc/09/21/84/415092184.db2.gz PFCSRIMWZWZVBG-KGLIPLIRSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354741881 265061246 /nfs/dbraw/zinc/06/12/46/265061246.db2.gz PFCSRIMWZWZVBG-ZIAGYGMSSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000354744878 265132253 /nfs/dbraw/zinc/13/22/53/265132253.db2.gz UMANTBYHPJNGCT-KBPBESRZSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000354744880 265256281 /nfs/dbraw/zinc/25/62/81/265256281.db2.gz UMANTBYHPJNGCT-KGLIPLIRSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000354744882 415093204 /nfs/dbraw/zinc/09/32/04/415093204.db2.gz UMANTBYHPJNGCT-UONOGXRCSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000354744885 374762771 /nfs/dbraw/zinc/76/27/71/374762771.db2.gz UMANTBYHPJNGCT-ZIAGYGMSSA-N 2 0 325.457 -1.003 20 0 EAADRP CC[NH+]1CCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354753982 415093236 /nfs/dbraw/zinc/09/32/36/415093236.db2.gz YAMBWNGZXZABOL-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[NH+]1CCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354753983 415094320 /nfs/dbraw/zinc/09/43/20/415094320.db2.gz YAMBWNGZXZABOL-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[NH+](CCO)CC(=O)N1CCN(C(=O)C[N@H+](CC)CCO)CC1 ZINC000355512654 415095781 /nfs/dbraw/zinc/09/57/81/415095781.db2.gz UQJGJTDWYZAKDE-UHFFFAOYSA-N 2 0 344.456 -1.714 20 0 EAADRP CN(C)Cc1cc(C(=O)NCC(=O)NCCN2CCOCC2)no1 ZINC000355567789 374765465 /nfs/dbraw/zinc/76/54/65/374765465.db2.gz DKEXGOVXQRUAOZ-UHFFFAOYSA-N 2 0 339.396 -1.086 20 0 EAADRP CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357079122 265083207 /nfs/dbraw/zinc/08/32/07/265083207.db2.gz CQQNYYUERBPZNU-GJZGRUSLSA-N 2 0 337.468 -1.240 20 0 EAADRP CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357079126 265261448 /nfs/dbraw/zinc/26/14/48/265261448.db2.gz CQQNYYUERBPZNU-LSDHHAIUSA-N 2 0 337.468 -1.240 20 0 EAADRP Cn1c2ncn(CCN3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000357084335 265340912 /nfs/dbraw/zinc/34/09/12/265340912.db2.gz PSBMRLRBSRKPNT-NEPJUHHUSA-N 2 0 332.408 -1.025 20 0 EAADRP Cn1c2ncn(CCN3CC[C@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000357084339 265188986 /nfs/dbraw/zinc/18/89/86/265188986.db2.gz PSBMRLRBSRKPNT-RYUDHWBXSA-N 2 0 332.408 -1.025 20 0 EAADRP Cn1c2ncn(CCN3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000357084341 265242499 /nfs/dbraw/zinc/24/24/99/265242499.db2.gz PSBMRLRBSRKPNT-VXGBXAGGSA-N 2 0 332.408 -1.025 20 0 EAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2COCC[NH2+]2)cn1 ZINC000357236279 264804907 /nfs/dbraw/zinc/80/49/07/264804907.db2.gz CNNUIVDOGWHPRB-LBPRGKRZSA-N 2 0 338.412 -1.122 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1=O ZINC000357236390 415104661 /nfs/dbraw/zinc/10/46/61/415104661.db2.gz FDAPWLRYMYVEPG-CABCVRRESA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1=O ZINC000357236396 265164032 /nfs/dbraw/zinc/16/40/32/265164032.db2.gz FDAPWLRYMYVEPG-GJZGRUSLSA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1=O ZINC000357236398 265107246 /nfs/dbraw/zinc/10/72/46/265107246.db2.gz FDAPWLRYMYVEPG-HUUCEWRRSA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1=O ZINC000357236401 265387830 /nfs/dbraw/zinc/38/78/30/265387830.db2.gz FDAPWLRYMYVEPG-LSDHHAIUSA-N 2 0 337.468 -1.097 20 0 EAADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357916768 265398080 /nfs/dbraw/zinc/39/80/80/265398080.db2.gz IAIVRMMZDZWITJ-MCIONIFRSA-N 2 0 340.424 -1.899 20 0 EAADRP O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357939507 265364959 /nfs/dbraw/zinc/36/49/59/265364959.db2.gz ZYNWJTQBBHCMLQ-AGIUHOORSA-N 2 0 326.397 -2.242 20 0 EAADRP O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357939518 265046066 /nfs/dbraw/zinc/04/60/66/265046066.db2.gz ZYNWJTQBBHCMLQ-FRRDWIJNSA-N 2 0 326.397 -2.242 20 0 EAADRP O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357939521 265081681 /nfs/dbraw/zinc/08/16/81/265081681.db2.gz ZYNWJTQBBHCMLQ-JHJVBQTASA-N 2 0 326.397 -2.242 20 0 EAADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000358094293 545688035 /nfs/dbraw/zinc/68/80/35/545688035.db2.gz ZIKKYTVVJNCMMT-CYBMUJFWSA-N 2 0 341.456 -1.290 20 0 EAADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000358094299 545689388 /nfs/dbraw/zinc/68/93/88/545689388.db2.gz ZIKKYTVVJNCMMT-ZDUSSCGKSA-N 2 0 341.456 -1.290 20 0 EAADRP CN1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000358139720 415105986 /nfs/dbraw/zinc/10/59/86/415105986.db2.gz LAOHOSYENXVJLB-KGLIPLIRSA-N 2 0 340.424 -1.634 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000358556276 415109852 /nfs/dbraw/zinc/10/98/52/415109852.db2.gz GTWXTVORXUEJLQ-ZDUSSCGKSA-N 2 0 330.429 -1.482 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000358557438 415109642 /nfs/dbraw/zinc/10/96/42/415109642.db2.gz DOKKVVXRXBPAIR-UHFFFAOYSA-N 2 0 344.456 -1.092 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000358559537 415111019 /nfs/dbraw/zinc/11/10/19/415111019.db2.gz KFXHVCXDKONCEL-AWEZNQCLSA-N 2 0 342.440 -1.386 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000358565968 265396496 /nfs/dbraw/zinc/39/64/96/265396496.db2.gz VTISANBMGADCPP-KGLIPLIRSA-N 2 0 344.456 -1.094 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCN1CCSCC1 ZINC000358568896 415109731 /nfs/dbraw/zinc/10/97/31/415109731.db2.gz KSYQFKQPJRBSLL-UHFFFAOYSA-N 2 0 332.470 -1.154 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000358578327 265263482 /nfs/dbraw/zinc/26/34/82/265263482.db2.gz ZJQVACVILZCGAH-CYBMUJFWSA-N 2 0 329.445 -1.957 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000358578338 415110654 /nfs/dbraw/zinc/11/06/54/415110654.db2.gz ZJQVACVILZCGAH-ZDUSSCGKSA-N 2 0 329.445 -1.957 20 0 EAADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715969 265024172 /nfs/dbraw/zinc/02/41/72/265024172.db2.gz HVIAFRNASKFUGY-BBRMVZONSA-N 2 0 341.456 -1.060 20 0 EAADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715976 415109949 /nfs/dbraw/zinc/10/99/49/415109949.db2.gz HVIAFRNASKFUGY-CJNGLKHVSA-N 2 0 341.456 -1.060 20 0 EAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715982 415111429 /nfs/dbraw/zinc/11/14/29/415111429.db2.gz HVIAFRNASKFUGY-CZUORRHYSA-N 2 0 341.456 -1.060 20 0 EAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715988 265150342 /nfs/dbraw/zinc/15/03/42/265150342.db2.gz HVIAFRNASKFUGY-XJKSGUPXSA-N 2 0 341.456 -1.060 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)C1CC1 ZINC000359274570 265156372 /nfs/dbraw/zinc/15/63/72/265156372.db2.gz OSDXUJRIPKTFON-AWEZNQCLSA-N 2 0 325.457 -1.051 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)C1CC1 ZINC000359274577 265224702 /nfs/dbraw/zinc/22/47/02/265224702.db2.gz OSDXUJRIPKTFON-CQSZACIVSA-N 2 0 325.457 -1.051 20 0 EAADRP COC(=O)CNC(=O)CC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000359511162 265205133 /nfs/dbraw/zinc/20/51/33/265205133.db2.gz UZNCNCYLRSMHGL-UHFFFAOYSA-N 2 0 343.424 -1.175 20 0 EAADRP C[NH+](C)CCOCCNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000360279279 265179582 /nfs/dbraw/zinc/17/95/82/265179582.db2.gz NRCIWILIFYYMMR-UHFFFAOYSA-N 2 0 344.456 -1.092 20 0 EAADRP C[NH+](C)CCOCCNC(=O)C(=O)NCCN1CCSCC1 ZINC000360279986 265311064 /nfs/dbraw/zinc/31/10/64/265311064.db2.gz QULBTVVRFFHARJ-UHFFFAOYSA-N 2 0 332.470 -1.154 20 0 EAADRP CN1CCN(C2CCN(CC(=O)N3CCNC(=O)C3)CC2)C(=O)C1 ZINC000360638923 265135311 /nfs/dbraw/zinc/13/53/11/265135311.db2.gz PDXMDNJALGQHJV-UHFFFAOYSA-N 2 0 337.424 -1.817 20 0 EAADRP C[C@H](O)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H](C)O)CC1 ZINC000361514695 415120498 /nfs/dbraw/zinc/12/04/98/415120498.db2.gz QTPDZDQLGKHRQA-KBPBESRZSA-N 2 0 344.456 -1.718 20 0 EAADRP C[C@@H](O)C[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C[C@H](C)O)CC1 ZINC000361514696 265078866 /nfs/dbraw/zinc/07/88/66/265078866.db2.gz QTPDZDQLGKHRQA-OKILXGFUSA-N 2 0 344.456 -1.718 20 0 EAADRP C[C@@H](O)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H](C)O)CC1 ZINC000361514697 265352736 /nfs/dbraw/zinc/35/27/36/265352736.db2.gz QTPDZDQLGKHRQA-ZIAGYGMSSA-N 2 0 344.456 -1.718 20 0 EAADRP Cn1c(CN2CCC[C@@H](N3CCNCC3=O)C2)cc(=O)n(C)c1=O ZINC000362829107 374792950 /nfs/dbraw/zinc/79/29/50/374792950.db2.gz ZDCWRMLCMZPOGA-GFCCVEGCSA-N 2 0 335.408 -1.520 20 0 EAADRP Cn1c(CN2CCC[C@H](N3CCNCC3=O)C2)cc(=O)n(C)c1=O ZINC000362829108 374792766 /nfs/dbraw/zinc/79/27/66/374792766.db2.gz ZDCWRMLCMZPOGA-LBPRGKRZSA-N 2 0 335.408 -1.520 20 0 EAADRP C[C@@H](NC(=O)CN1CCC[C@@H](N2CCNCC2=O)C1)C(=O)N(C)C ZINC000362831826 265188425 /nfs/dbraw/zinc/18/84/25/265188425.db2.gz UAUVFZAMVRZBJQ-CHWSQXEVSA-N 2 0 339.440 -1.525 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@H](O)C[C@H]2CO)C1 ZINC000364203506 374426871 /nfs/dbraw/zinc/42/68/71/374426871.db2.gz QEGZQPPYJNGWEO-ZNMIVQPWSA-N 2 0 329.441 -1.113 20 0 EAADRP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3CC[NH2+][C@H](C)C3)CC[NH2+]C2)CC[NH2+]1 ZINC000364601097 265274890 /nfs/dbraw/zinc/27/48/90/265274890.db2.gz NWFQERLHKKNEMV-CKEIUWERSA-N 3 0 337.468 -1.003 20 0 EAADRP C[C@@H]1CN(C(=O)C[C@@]2(C(=O)N3CC[NH2+][C@H](C)C3)CC[NH2+]C2)CC[NH2+]1 ZINC000364601100 265105362 /nfs/dbraw/zinc/10/53/62/265105362.db2.gz NWFQERLHKKNEMV-CPUCHLNUSA-N 3 0 337.468 -1.003 20 0 EAADRP CN1CCN(c2cc(N3CCCN(CC(N)=O)CC3)ncn2)CC1=O ZINC000365027054 265247264 /nfs/dbraw/zinc/24/72/64/265247264.db2.gz FZRUAAFRLOBBDM-UHFFFAOYSA-N 2 0 347.423 -1.248 20 0 EAADRP CN(C(=O)C[C@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000366712404 374661993 /nfs/dbraw/zinc/66/19/93/374661993.db2.gz WMRFDJQJLZPAHH-CKEIUWERSA-N 3 0 337.468 -1.003 20 0 EAADRP CN(C(=O)C[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000366712405 265118638 /nfs/dbraw/zinc/11/86/38/265118638.db2.gz WMRFDJQJLZPAHH-GRDNDAEWSA-N 3 0 337.468 -1.003 20 0 EAADRP CN(C(=O)[C@@]1(CC(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000366712406 374662352 /nfs/dbraw/zinc/66/23/52/374662352.db2.gz WMRFDJQJLZPAHH-JJRVBVJISA-N 3 0 337.468 -1.003 20 0 EAADRP CN(C(=O)C[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000366712407 265199683 /nfs/dbraw/zinc/19/96/83/265199683.db2.gz WMRFDJQJLZPAHH-JKIFEVAISA-N 3 0 337.468 -1.003 20 0 EAADRP C[C@](O)(CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)CN1CCOCC1 ZINC000367046177 265339534 /nfs/dbraw/zinc/33/95/34/265339534.db2.gz UCPKSEMEGNXSAU-ZBFHGGJFSA-N 2 0 326.441 -1.424 20 0 EAADRP NC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000367563926 265186671 /nfs/dbraw/zinc/18/66/71/265186671.db2.gz FXOAQXLUSPBTQI-MRXNPFEDSA-N 2 0 336.392 -1.154 20 0 EAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000368140672 415130905 /nfs/dbraw/zinc/13/09/05/415130905.db2.gz BYGCIEZQAUUMOL-RDBSUJKOSA-N 2 0 342.415 -1.017 20 0 EAADRP O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373083 265046212 /nfs/dbraw/zinc/04/62/12/265046212.db2.gz DTMGWSGOGINPOH-SOUVJXGZSA-N 2 0 336.436 -1.013 20 0 EAADRP NC(=O)[C@@H]1C[NH+](CCCCCC[N@@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000369036609 265153998 /nfs/dbraw/zinc/15/39/98/265153998.db2.gz PEDZPIFHPRIYRF-KBPBESRZSA-N 2 0 342.440 -1.081 20 0 EAADRP NC(=O)[C@H]1C[N@H+](CCCCCC[NH+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000369036610 265393025 /nfs/dbraw/zinc/39/30/25/265393025.db2.gz PEDZPIFHPRIYRF-OKILXGFUSA-N 2 0 342.440 -1.081 20 0 EAADRP NC(=O)[C@H]1C[NH+](CCCCCC[N@@H+]2CCO[C@@H](C(N)=O)C2)CCO1 ZINC000369036611 414901096 /nfs/dbraw/zinc/90/10/96/414901096.db2.gz PEDZPIFHPRIYRF-ZIAGYGMSSA-N 2 0 342.440 -1.081 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCN(CC(N)=O)CC2)CC1=O ZINC000371820356 265288446 /nfs/dbraw/zinc/28/84/46/265288446.db2.gz IJWDVTAXHOCVCP-ZDUSSCGKSA-N 2 0 339.440 -1.584 20 0 EAADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000372744200 265423901 /nfs/dbraw/zinc/42/39/01/265423901.db2.gz UDJSVHHMBUNTCN-AAVRWANBSA-N 2 0 342.440 -1.084 20 0 EAADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000372744208 265150618 /nfs/dbraw/zinc/15/06/18/265150618.db2.gz UDJSVHHMBUNTCN-MQYQWHSLSA-N 2 0 342.440 -1.084 20 0 EAADRP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000372744214 265356283 /nfs/dbraw/zinc/35/62/83/265356283.db2.gz UDJSVHHMBUNTCN-SYQHCUMBSA-N 2 0 342.440 -1.084 20 0 EAADRP COC(=O)[C@@H]1C[C@@H](O)CN1CCCCN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798115 265133554 /nfs/dbraw/zinc/13/35/54/265133554.db2.gz SCXOWUGBORRFIW-CRWXNKLISA-N 2 0 344.408 -1.017 20 0 EAADRP COC(=O)[C@H]1C[C@@H](O)CN1CCCCN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798136 415140392 /nfs/dbraw/zinc/14/03/92/415140392.db2.gz SCXOWUGBORRFIW-KPWCQOOUSA-N 2 0 344.408 -1.017 20 0 EAADRP COC(=O)[C@H]1C[C@H](O)CN1CCCCN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798140 374800578 /nfs/dbraw/zinc/80/05/78/374800578.db2.gz SCXOWUGBORRFIW-XDQVBPFNSA-N 2 0 344.408 -1.017 20 0 EAADRP CCN1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000372911302 265285735 /nfs/dbraw/zinc/28/57/35/265285735.db2.gz LDEAJMNHQCYVNC-RRFJBIMHSA-N 2 0 326.441 -1.426 20 0 EAADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000418386808 374815308 /nfs/dbraw/zinc/81/53/08/374815308.db2.gz LXZFQULZRAZBFK-LLVKDONJSA-N 2 0 333.458 -1.529 20 0 EAADRP C[NH2+]C[C@H](C)CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000418386811 374816105 /nfs/dbraw/zinc/81/61/05/374816105.db2.gz LXZFQULZRAZBFK-NSHDSACASA-N 2 0 333.458 -1.529 20 0 EAADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000418433258 265091973 /nfs/dbraw/zinc/09/19/73/265091973.db2.gz CTZBMSWLIKJKRK-GFCCVEGCSA-N 2 0 347.485 -1.011 20 0 EAADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)CCCC1 ZINC000418845674 415162704 /nfs/dbraw/zinc/16/27/04/415162704.db2.gz WCWXSBPCXRSEEM-UHFFFAOYSA-N 2 0 325.457 -1.002 20 0 EAADRP [NH3+]CCNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418869426 415159233 /nfs/dbraw/zinc/15/92/33/415159233.db2.gz XEEKYINMBZWYIG-UHFFFAOYSA-N 2 0 333.436 -1.005 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418911928 374833494 /nfs/dbraw/zinc/83/34/94/374833494.db2.gz CTJVSGQODWEAMD-KBPBESRZSA-N 2 0 342.440 -1.355 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418911929 265117486 /nfs/dbraw/zinc/11/74/86/265117486.db2.gz CTJVSGQODWEAMD-KGLIPLIRSA-N 2 0 342.440 -1.355 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418911930 415160355 /nfs/dbraw/zinc/16/03/55/415160355.db2.gz CTJVSGQODWEAMD-UONOGXRCSA-N 2 0 342.440 -1.355 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418911931 374832845 /nfs/dbraw/zinc/83/28/45/374832845.db2.gz CTJVSGQODWEAMD-ZIAGYGMSSA-N 2 0 342.440 -1.355 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000418928732 415163073 /nfs/dbraw/zinc/16/30/73/415163073.db2.gz VMLCKAOZVDVOIS-CYBMUJFWSA-N 2 0 330.429 -1.761 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000418928733 415161815 /nfs/dbraw/zinc/16/18/15/415161815.db2.gz VMLCKAOZVDVOIS-ZDUSSCGKSA-N 2 0 330.429 -1.761 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000419165049 265222280 /nfs/dbraw/zinc/22/22/80/265222280.db2.gz ASYRDEJBLJUQRZ-CYBMUJFWSA-N 2 0 325.457 -1.051 20 0 EAADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419183895 374831331 /nfs/dbraw/zinc/83/13/31/374831331.db2.gz NAYRCAGYWXOODC-CYBMUJFWSA-N 2 0 325.457 -1.051 20 0 EAADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419183896 374833162 /nfs/dbraw/zinc/83/31/62/374833162.db2.gz NAYRCAGYWXOODC-ZDUSSCGKSA-N 2 0 325.457 -1.051 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419358758 415161362 /nfs/dbraw/zinc/16/13/62/415161362.db2.gz PSHGMNXYVLJKQF-NWDGAFQWSA-N 2 0 330.429 -1.090 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419358759 415166453 /nfs/dbraw/zinc/16/64/53/415166453.db2.gz PSHGMNXYVLJKQF-RYUDHWBXSA-N 2 0 330.429 -1.090 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419358761 415164711 /nfs/dbraw/zinc/16/47/11/415164711.db2.gz PSHGMNXYVLJKQF-VXGBXAGGSA-N 2 0 330.429 -1.090 20 0 EAADRP C[NH+](C)C1(CNC(=O)C(=O)N(CC[NH3+])CCO)Cc2ccccc2C1 ZINC000419378952 415166206 /nfs/dbraw/zinc/16/62/06/415166206.db2.gz WBMUVFDIHRXANG-UHFFFAOYSA-N 2 0 348.447 -1.019 20 0 EAADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419406722 374832182 /nfs/dbraw/zinc/83/21/82/374832182.db2.gz JBAUCETZLCGDOL-AWEZNQCLSA-N 2 0 325.457 -1.144 20 0 EAADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419406724 265041891 /nfs/dbraw/zinc/04/18/91/265041891.db2.gz JBAUCETZLCGDOL-CQSZACIVSA-N 2 0 325.457 -1.144 20 0 EAADRP CC1CC[NH+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419419665 265336601 /nfs/dbraw/zinc/33/66/01/265336601.db2.gz ZLKMNBHNDQOECU-UHFFFAOYSA-N 2 0 325.457 -1.144 20 0 EAADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419429378 265294143 /nfs/dbraw/zinc/29/41/43/265294143.db2.gz UOPSEIXVDMIVRK-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419429379 415166823 /nfs/dbraw/zinc/16/68/23/415166823.db2.gz UOPSEIXVDMIVRK-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419597037 265122905 /nfs/dbraw/zinc/12/29/05/265122905.db2.gz ZLNCMKZGGHGZLN-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419597038 415166317 /nfs/dbraw/zinc/16/63/17/415166317.db2.gz ZLNCMKZGGHGZLN-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP C[N@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CCCC1 ZINC000419699643 265245296 /nfs/dbraw/zinc/24/52/96/265245296.db2.gz WUMDJYQPRGCSGK-UHFFFAOYSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419738612 415166091 /nfs/dbraw/zinc/16/60/91/415166091.db2.gz UWNLKQNWVLJXBZ-ZDUSSCGKSA-N 2 0 341.456 -1.242 20 0 EAADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000419782774 265330166 /nfs/dbraw/zinc/33/01/66/265330166.db2.gz USRCYUVQRRNQSB-NEPJUHHUSA-N 2 0 330.429 -1.090 20 0 EAADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000419782775 374833662 /nfs/dbraw/zinc/83/36/62/374833662.db2.gz USRCYUVQRRNQSB-NWDGAFQWSA-N 2 0 330.429 -1.090 20 0 EAADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000419782776 265109714 /nfs/dbraw/zinc/10/97/14/265109714.db2.gz USRCYUVQRRNQSB-RYUDHWBXSA-N 2 0 330.429 -1.090 20 0 EAADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000419782778 415166276 /nfs/dbraw/zinc/16/62/76/415166276.db2.gz USRCYUVQRRNQSB-VXGBXAGGSA-N 2 0 330.429 -1.090 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419835819 265087143 /nfs/dbraw/zinc/08/71/43/265087143.db2.gz WQYDDCAXOPMOFJ-UHFFFAOYSA-N 2 0 327.429 -1.536 20 0 EAADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000419846001 374834509 /nfs/dbraw/zinc/83/45/09/374834509.db2.gz GJKLEHHILLPDHJ-UHFFFAOYSA-N 2 0 339.440 -1.521 20 0 EAADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863524 415164114 /nfs/dbraw/zinc/16/41/14/415164114.db2.gz HSCDMGNJDGYVHL-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863529 374835565 /nfs/dbraw/zinc/83/55/65/374835565.db2.gz HSCDMGNJDGYVHL-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419864352 415165759 /nfs/dbraw/zinc/16/57/59/415165759.db2.gz INTBCDWAXMEMBA-UHFFFAOYSA-N 2 0 325.457 -1.050 20 0 EAADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868539 265319824 /nfs/dbraw/zinc/31/98/24/265319824.db2.gz LYRLJWGQZJAHQT-AWEZNQCLSA-N 2 0 325.457 -1.050 20 0 EAADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868540 265420721 /nfs/dbraw/zinc/42/07/21/265420721.db2.gz LYRLJWGQZJAHQT-CQSZACIVSA-N 2 0 325.457 -1.050 20 0 EAADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000419869607 415166523 /nfs/dbraw/zinc/16/65/23/415166523.db2.gz ITENGNCRXSHLNN-UHFFFAOYSA-N 2 0 339.440 -1.521 20 0 EAADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419869898 265250169 /nfs/dbraw/zinc/25/01/69/265250169.db2.gz NNAXQWHIACTPLR-UHFFFAOYSA-N 2 0 325.457 -1.050 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C1CC1 ZINC000419870990 265157333 /nfs/dbraw/zinc/15/73/33/265157333.db2.gz PDUWXMTXEOCUKM-UHFFFAOYSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000419871681 265118824 /nfs/dbraw/zinc/11/88/24/265118824.db2.gz KSVYFYOQSHPTJK-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000419871683 265245276 /nfs/dbraw/zinc/24/52/76/265245276.db2.gz KSVYFYOQSHPTJK-ZDUSSCGKSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419877711 415165660 /nfs/dbraw/zinc/16/56/60/415165660.db2.gz YJZGACZOBCXCLX-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419877713 415166449 /nfs/dbraw/zinc/16/64/49/415166449.db2.gz YJZGACZOBCXCLX-ZDUSSCGKSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419879132 374835721 /nfs/dbraw/zinc/83/57/21/374835721.db2.gz SPRZGYQLOIOBGQ-UHFFFAOYSA-N 2 0 327.429 -1.665 20 0 EAADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000419888375 415166240 /nfs/dbraw/zinc/16/62/40/415166240.db2.gz JTXBZIIFEWKJEN-UHFFFAOYSA-N 2 0 341.456 -1.275 20 0 EAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419892849 374834966 /nfs/dbraw/zinc/83/49/66/374834966.db2.gz VCSLVGUQXXZHPP-UHFFFAOYSA-N 2 0 329.445 -1.956 20 0 EAADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000419935326 374835374 /nfs/dbraw/zinc/83/53/74/374835374.db2.gz CKLLKHXSUFNQGZ-CYBMUJFWSA-N 2 0 339.440 -1.536 20 0 EAADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000419935328 374835042 /nfs/dbraw/zinc/83/50/42/374835042.db2.gz CKLLKHXSUFNQGZ-ZDUSSCGKSA-N 2 0 339.440 -1.536 20 0 EAADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000419938157 265125591 /nfs/dbraw/zinc/12/55/91/265125591.db2.gz HKXSPHUWIMSPOW-CHWSQXEVSA-N 2 0 339.440 -1.538 20 0 EAADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000419938158 264995568 /nfs/dbraw/zinc/99/55/68/264995568.db2.gz HKXSPHUWIMSPOW-OLZOCXBDSA-N 2 0 339.440 -1.538 20 0 EAADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000419938159 265247242 /nfs/dbraw/zinc/24/72/42/265247242.db2.gz HKXSPHUWIMSPOW-QWHCGFSZSA-N 2 0 339.440 -1.538 20 0 EAADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000419938160 265252641 /nfs/dbraw/zinc/25/26/41/265252641.db2.gz HKXSPHUWIMSPOW-STQMWFEESA-N 2 0 339.440 -1.538 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419958357 265378747 /nfs/dbraw/zinc/37/87/47/265378747.db2.gz QGBMOSURJORXLW-CYBMUJFWSA-N 2 0 341.456 -1.290 20 0 EAADRP COC(=O)CCN1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])[C@@H](C)C1 ZINC000419987132 265123875 /nfs/dbraw/zinc/12/38/75/265123875.db2.gz CZYDKXOHYCZGKD-NEPJUHHUSA-N 2 0 328.413 -1.064 20 0 EAADRP COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])[C@H](C)C1 ZINC000419987133 265157268 /nfs/dbraw/zinc/15/72/68/265157268.db2.gz CZYDKXOHYCZGKD-NWDGAFQWSA-N 2 0 328.413 -1.064 20 0 EAADRP COC(=O)CCN1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])[C@H](C)C1 ZINC000419987135 265188767 /nfs/dbraw/zinc/18/87/67/265188767.db2.gz CZYDKXOHYCZGKD-VXGBXAGGSA-N 2 0 328.413 -1.064 20 0 EAADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000419989767 374835913 /nfs/dbraw/zinc/83/59/13/374835913.db2.gz JKFIGBQIWCCMJW-CYBMUJFWSA-N 2 0 339.440 -1.394 20 0 EAADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000419989769 265291842 /nfs/dbraw/zinc/29/18/42/265291842.db2.gz JKFIGBQIWCCMJW-ZDUSSCGKSA-N 2 0 339.440 -1.394 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419993449 415170382 /nfs/dbraw/zinc/17/03/82/415170382.db2.gz KJMHRCBVAONHFI-ZDUSSCGKSA-N 2 0 341.456 -1.148 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420013437 415164306 /nfs/dbraw/zinc/16/43/06/415164306.db2.gz LDDRURPUXXWHDQ-GFCCVEGCSA-N 2 0 327.429 -1.538 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420015108 265392834 /nfs/dbraw/zinc/39/28/34/265392834.db2.gz LDDRURPUXXWHDQ-LBPRGKRZSA-N 2 0 327.429 -1.538 20 0 EAADRP COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000420055271 265139952 /nfs/dbraw/zinc/13/99/52/265139952.db2.gz GEPFEGMUWJKRPR-YPMHNXCESA-N 2 0 340.424 -1.064 20 0 EAADRP CC(C)([NH3+])CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420056885 415169255 /nfs/dbraw/zinc/16/92/55/415169255.db2.gz MTZSRFFJJHRZSE-UHFFFAOYSA-N 2 0 339.440 -1.394 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420065182 415171545 /nfs/dbraw/zinc/17/15/45/415171545.db2.gz XEOLDUUHTAKQAE-GFCCVEGCSA-N 2 0 339.440 -1.395 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420065184 265158489 /nfs/dbraw/zinc/15/84/89/265158489.db2.gz XEOLDUUHTAKQAE-LBPRGKRZSA-N 2 0 339.440 -1.395 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420084371 415172069 /nfs/dbraw/zinc/17/20/69/415172069.db2.gz YKELEKKKKBZRDF-UHFFFAOYSA-N 2 0 341.456 -1.148 20 0 EAADRP COCC[NH2+]CCNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420183075 265214201 /nfs/dbraw/zinc/21/42/01/265214201.db2.gz LCZRGHIZJZZYOI-OKILXGFUSA-N 2 0 344.456 -1.094 20 0 EAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420213135 415169602 /nfs/dbraw/zinc/16/96/02/415169602.db2.gz YLSNGTHZSFOZTG-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420213137 415168122 /nfs/dbraw/zinc/16/81/22/415168122.db2.gz YLSNGTHZSFOZTG-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420213141 374836716 /nfs/dbraw/zinc/83/67/16/374836716.db2.gz YLSNGTHZSFOZTG-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420213143 265017719 /nfs/dbraw/zinc/01/77/19/265017719.db2.gz YLSNGTHZSFOZTG-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000420351863 415168592 /nfs/dbraw/zinc/16/85/92/415168592.db2.gz XYDFTOGLGHMJME-ILXRZTDVSA-N 2 0 328.457 -1.276 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000420351864 265157458 /nfs/dbraw/zinc/15/74/58/265157458.db2.gz XYDFTOGLGHMJME-KKUMJFAQSA-N 2 0 328.457 -1.276 20 0 EAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423217125 374855596 /nfs/dbraw/zinc/85/55/96/374855596.db2.gz SYCMXHSDISIEKL-KBPBESRZSA-N 2 0 342.440 -1.258 20 0 EAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423217126 265147163 /nfs/dbraw/zinc/14/71/63/265147163.db2.gz SYCMXHSDISIEKL-KGLIPLIRSA-N 2 0 342.440 -1.258 20 0 EAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423217127 264963805 /nfs/dbraw/zinc/96/38/05/264963805.db2.gz SYCMXHSDISIEKL-UONOGXRCSA-N 2 0 342.440 -1.258 20 0 EAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423217128 374856619 /nfs/dbraw/zinc/85/66/19/374856619.db2.gz SYCMXHSDISIEKL-ZIAGYGMSSA-N 2 0 342.440 -1.258 20 0 EAADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423244169 414861499 /nfs/dbraw/zinc/86/14/99/414861499.db2.gz HJHUQGMCXPWOIO-UHFFFAOYSA-N 2 0 339.440 -1.569 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423246014 415181135 /nfs/dbraw/zinc/18/11/35/415181135.db2.gz JPASHMYNRJHUPL-UHFFFAOYSA-N 2 0 339.440 -1.569 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423246832 265296144 /nfs/dbraw/zinc/29/61/44/265296144.db2.gz KICVOHKVNZSMQS-UHFFFAOYSA-N 2 0 337.424 -1.815 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423246885 415178440 /nfs/dbraw/zinc/17/84/40/415178440.db2.gz KLFKAUIYFHHKAT-CYBMUJFWSA-N 2 0 339.440 -1.441 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423246886 415177992 /nfs/dbraw/zinc/17/79/92/415177992.db2.gz KLFKAUIYFHHKAT-ZDUSSCGKSA-N 2 0 339.440 -1.441 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423249674 264686630 /nfs/dbraw/zinc/68/66/30/264686630.db2.gz PJUCDEUASISFNU-UHFFFAOYSA-N 2 0 327.429 -1.584 20 0 EAADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000423253120 265370328 /nfs/dbraw/zinc/37/03/28/265370328.db2.gz VDRFQHUMRRYLQG-CYBMUJFWSA-N 2 0 337.424 -1.687 20 0 EAADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000423253121 265066644 /nfs/dbraw/zinc/06/66/44/265066644.db2.gz VDRFQHUMRRYLQG-ZDUSSCGKSA-N 2 0 337.424 -1.687 20 0 EAADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423259942 374856965 /nfs/dbraw/zinc/85/69/65/374856965.db2.gz GFJQYGSQKAFQEV-AWEZNQCLSA-N 2 0 344.456 -1.011 20 0 EAADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423259943 265306606 /nfs/dbraw/zinc/30/66/06/265306606.db2.gz GFJQYGSQKAFQEV-CQSZACIVSA-N 2 0 344.456 -1.011 20 0 EAADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000423321933 265282227 /nfs/dbraw/zinc/28/22/27/265282227.db2.gz IEDIFHMTRMFAEC-HZSPNIEDSA-N 2 0 342.440 -1.260 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000423380813 265176189 /nfs/dbraw/zinc/17/61/89/265176189.db2.gz OCQCXIWYMINZNW-LBPRGKRZSA-N 2 0 328.413 -1.111 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1CC(C)(C)O ZINC000423484805 265003242 /nfs/dbraw/zinc/00/32/42/265003242.db2.gz YXJZWTXQFSJENN-CHWSQXEVSA-N 2 0 342.440 -1.524 20 0 EAADRP C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCN1CC(C)(C)O ZINC000423484822 265120395 /nfs/dbraw/zinc/12/03/95/265120395.db2.gz YXJZWTXQFSJENN-STQMWFEESA-N 2 0 342.440 -1.524 20 0 EAADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000423501806 265225967 /nfs/dbraw/zinc/22/59/67/265225967.db2.gz DUWCOBIDTHDHBL-CYBMUJFWSA-N 2 0 339.440 -1.571 20 0 EAADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000423501807 414866894 /nfs/dbraw/zinc/86/68/94/414866894.db2.gz DUWCOBIDTHDHBL-ZDUSSCGKSA-N 2 0 339.440 -1.571 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423525120 415178855 /nfs/dbraw/zinc/17/88/55/415178855.db2.gz UBOBUOUQDPNXFF-CYBMUJFWSA-N 2 0 337.424 -1.817 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423525123 265243444 /nfs/dbraw/zinc/24/34/44/265243444.db2.gz UBOBUOUQDPNXFF-ZDUSSCGKSA-N 2 0 337.424 -1.817 20 0 EAADRP COC(=O)CCN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423537308 265192357 /nfs/dbraw/zinc/19/23/57/265192357.db2.gz JSEYQJDUGRIVFG-LBPRGKRZSA-N 2 0 326.397 -1.486 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000423642507 265261860 /nfs/dbraw/zinc/26/18/60/265261860.db2.gz XCOKWLKBOXWJHI-RDBSUJKOSA-N 2 0 342.440 -1.653 20 0 EAADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423718644 415186268 /nfs/dbraw/zinc/18/62/68/415186268.db2.gz LMHPDCZCMKRSOH-CYBMUJFWSA-N 2 0 339.440 -1.441 20 0 EAADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423718645 265194559 /nfs/dbraw/zinc/19/45/59/265194559.db2.gz LMHPDCZCMKRSOH-ZDUSSCGKSA-N 2 0 339.440 -1.441 20 0 EAADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000423728548 265042250 /nfs/dbraw/zinc/04/22/50/265042250.db2.gz WBWOLYDAWFHJPM-CHWSQXEVSA-N 2 0 339.440 -1.443 20 0 EAADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000423728554 265208970 /nfs/dbraw/zinc/20/89/70/265208970.db2.gz WBWOLYDAWFHJPM-OLZOCXBDSA-N 2 0 339.440 -1.443 20 0 EAADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000423728557 415184748 /nfs/dbraw/zinc/18/47/48/415184748.db2.gz WBWOLYDAWFHJPM-QWHCGFSZSA-N 2 0 339.440 -1.443 20 0 EAADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000423728560 415184227 /nfs/dbraw/zinc/18/42/27/415184227.db2.gz WBWOLYDAWFHJPM-STQMWFEESA-N 2 0 339.440 -1.443 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423731668 265005997 /nfs/dbraw/zinc/00/59/97/265005997.db2.gz ZKZMLGHGKAMYKA-CYBMUJFWSA-N 2 0 341.456 -1.195 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423731669 265139776 /nfs/dbraw/zinc/13/97/76/265139776.db2.gz ZKZMLGHGKAMYKA-ZDUSSCGKSA-N 2 0 341.456 -1.195 20 0 EAADRP COC(=O)CCN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000423877059 265379856 /nfs/dbraw/zinc/37/98/56/265379856.db2.gz CTIWCQBRAGHFTM-OLZOCXBDSA-N 2 0 340.424 -1.050 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@H+](C)C3CC3)C[C@H]2[NH3+])cn1 ZINC000424563706 265215008 /nfs/dbraw/zinc/21/50/08/265215008.db2.gz ZVMGBEQYTSWAJN-UONOGXRCSA-N 2 0 334.424 -1.116 20 0 EAADRP CC[NH+]1CCN(CCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000428204767 265366984 /nfs/dbraw/zinc/36/69/84/265366984.db2.gz ZXSYBVHZAGJBQA-UHFFFAOYSA-N 2 0 325.457 -1.096 20 0 EAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428214434 265336878 /nfs/dbraw/zinc/33/68/78/265336878.db2.gz ZHNCOQRWLFTFPD-CYBMUJFWSA-N 2 0 339.440 -1.713 20 0 EAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428214435 265166723 /nfs/dbraw/zinc/16/67/23/265166723.db2.gz ZHNCOQRWLFTFPD-ZDUSSCGKSA-N 2 0 339.440 -1.713 20 0 EAADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000428976683 415195680 /nfs/dbraw/zinc/19/56/80/415195680.db2.gz LRIFSLSXJZTMCG-AWEZNQCLSA-N 2 0 325.457 -1.063 20 0 EAADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000428976686 374366505 /nfs/dbraw/zinc/36/65/05/374366505.db2.gz LRIFSLSXJZTMCG-CQSZACIVSA-N 2 0 325.457 -1.063 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430604321 264785313 /nfs/dbraw/zinc/78/53/13/264785313.db2.gz MSFASMRANMDNHO-NEPJUHHUSA-N 2 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ZINC000430627405 265073330 /nfs/dbraw/zinc/07/33/30/265073330.db2.gz NDHAGMNONGMEFQ-LLVKDONJSA-N 2 0 329.401 -1.789 20 0 EAADRP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630355 415011897 /nfs/dbraw/zinc/01/18/97/415011897.db2.gz RXWDRDWFKKVYAE-GFCCVEGCSA-N 2 0 325.413 -1.024 20 0 EAADRP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630357 265369985 /nfs/dbraw/zinc/36/99/85/265369985.db2.gz RXWDRDWFKKVYAE-LBPRGKRZSA-N 2 0 325.413 -1.024 20 0 EAADRP C[C@@H](NC(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630617 265167620 /nfs/dbraw/zinc/16/76/20/265167620.db2.gz SNORZRPGLRKHOU-NEPJUHHUSA-N 2 0 327.429 -1.634 20 0 EAADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCNC(=O)C1 ZINC000430636767 415196808 /nfs/dbraw/zinc/19/68/08/415196808.db2.gz ZNZGEJRBYODFRQ-CYBMUJFWSA-N 2 0 337.424 -1.911 20 0 EAADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCNC(=O)C1 ZINC000430636769 415196295 /nfs/dbraw/zinc/19/62/95/415196295.db2.gz 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CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646998 415197806 /nfs/dbraw/zinc/19/78/06/415197806.db2.gz FKQXXKYVVGWFNC-VXGBXAGGSA-N 2 0 325.413 -1.026 20 0 EAADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000430768616 374726456 /nfs/dbraw/zinc/72/64/56/374726456.db2.gz PMMVEISLTSQLNW-UONOGXRCSA-N 2 0 340.424 -1.586 20 0 EAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)cn1 ZINC000430793439 265160832 /nfs/dbraw/zinc/16/08/32/265160832.db2.gz WKXQXIBROGBIBX-CYBMUJFWSA-N 2 0 338.412 -1.122 20 0 EAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2C[NH2+]CCO2)cn1 ZINC000430793440 265169575 /nfs/dbraw/zinc/16/95/75/265169575.db2.gz WKXQXIBROGBIBX-ZDUSSCGKSA-N 2 0 338.412 -1.122 20 0 EAADRP CN(C)C(=O)CCN1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000430799138 265055018 /nfs/dbraw/zinc/05/50/18/265055018.db2.gz ANMKPJGDMIGYJT-UHFFFAOYSA-N 2 0 325.413 -1.959 20 0 EAADRP C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1[NH3+] ZINC000430942073 265243510 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EAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000516065926 265294768 /nfs/dbraw/zinc/29/47/68/265294768.db2.gz YTDIYODQQYRRMM-AAEUAGOBSA-N 2 0 327.429 -1.601 20 0 EAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000516065927 265119936 /nfs/dbraw/zinc/11/99/36/265119936.db2.gz YTDIYODQQYRRMM-YPMHNXCESA-N 2 0 327.429 -1.601 20 0 EAADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516492522 415190038 /nfs/dbraw/zinc/19/00/38/415190038.db2.gz MKDBVYXGPVZNRM-CHWSQXEVSA-N 2 0 339.440 -1.395 20 0 EAADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516492524 374889231 /nfs/dbraw/zinc/88/92/31/374889231.db2.gz MKDBVYXGPVZNRM-QWHCGFSZSA-N 2 0 339.440 -1.395 20 0 EAADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516492525 265052862 /nfs/dbraw/zinc/05/28/62/265052862.db2.gz MKDBVYXGPVZNRM-STQMWFEESA-N 2 0 339.440 -1.395 20 0 EAADRP 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ZINC000518499965 265098933 /nfs/dbraw/zinc/09/89/33/265098933.db2.gz GHATVCXTMMUZKG-CQSZACIVSA-N 2 0 339.440 -1.076 20 0 EAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C)CC1 ZINC000518757492 265194086 /nfs/dbraw/zinc/19/40/86/265194086.db2.gz BZPJGXUGBQVKIJ-CYBMUJFWSA-N 2 0 336.502 -1.098 20 0 EAADRP COC(=O)CN1CCC[C@@H](CNC(=O)CN2CCNCC2=O)C1 ZINC000518767232 414870786 /nfs/dbraw/zinc/87/07/86/414870786.db2.gz ALEQLJMMEAATLU-LBPRGKRZSA-N 2 0 326.397 -1.581 20 0 EAADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000518797620 414912054 /nfs/dbraw/zinc/91/20/54/414912054.db2.gz BERFAJZWNGZLQP-CHWSQXEVSA-N 2 0 339.440 -1.395 20 0 EAADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000518797621 265110533 /nfs/dbraw/zinc/11/05/33/265110533.db2.gz BERFAJZWNGZLQP-OLZOCXBDSA-N 2 0 339.440 -1.395 20 0 EAADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000518797622 265196977 /nfs/dbraw/zinc/19/69/77/265196977.db2.gz BERFAJZWNGZLQP-QWHCGFSZSA-N 2 0 339.440 -1.395 20 0 EAADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000518797623 414910502 /nfs/dbraw/zinc/91/05/02/414910502.db2.gz BERFAJZWNGZLQP-STQMWFEESA-N 2 0 339.440 -1.395 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000519551432 374727892 /nfs/dbraw/zinc/72/78/92/374727892.db2.gz PNKKFIMVUSMKKY-UHFFFAOYSA-N 2 0 349.439 -1.478 20 0 EAADRP Cc1nccn1CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519604206 415062291 /nfs/dbraw/zinc/06/22/91/415062291.db2.gz CYTWUERYWIXYBH-CHWSQXEVSA-N 2 0 348.407 -1.532 20 0 EAADRP Cc1nccn1CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519604229 415062487 /nfs/dbraw/zinc/06/24/87/415062487.db2.gz CYTWUERYWIXYBH-QWHCGFSZSA-N 2 0 348.407 -1.532 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519644280 415060445 /nfs/dbraw/zinc/06/04/45/415060445.db2.gz FKUXBOFDGVOEND-DCAQKATOSA-N 2 0 327.385 -1.909 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519644301 265263309 /nfs/dbraw/zinc/26/33/09/265263309.db2.gz FKUXBOFDGVOEND-HBNTYKKESA-N 2 0 327.385 -1.909 20 0 EAADRP CN1CC[NH+](CC2CCN(C(=O)CN3CCNCC3=O)CC2)CC1 ZINC000519714118 374729398 /nfs/dbraw/zinc/72/93/98/374729398.db2.gz ZAXZCFIBEYYFFF-UHFFFAOYSA-N 2 0 337.468 -1.096 20 0 EAADRP O=C(CC[C@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000520228511 265020294 /nfs/dbraw/zinc/02/02/94/265020294.db2.gz RSMFSPVMXZAUGN-LBPRGKRZSA-N 2 0 330.454 -1.178 20 0 EAADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000521008014 415279364 /nfs/dbraw/zinc/27/93/64/415279364.db2.gz JVRDUIGCYFDUMY-GFCCVEGCSA-N 2 0 327.429 -1.619 20 0 EAADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000521008018 415279720 /nfs/dbraw/zinc/27/97/20/415279720.db2.gz JVRDUIGCYFDUMY-LBPRGKRZSA-N 2 0 327.429 -1.619 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[N@@H+]3CCCOCC3)CCN2C1=O ZINC000521273622 265311655 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-1.715 20 0 EAADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000521859934 265194790 /nfs/dbraw/zinc/19/47/90/265194790.db2.gz AWCMUYYOBKROPS-KBPBESRZSA-N 2 0 325.457 -1.112 20 0 EAADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000521859936 415260402 /nfs/dbraw/zinc/26/04/02/415260402.db2.gz AWCMUYYOBKROPS-UONOGXRCSA-N 2 0 325.457 -1.112 20 0 EAADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000521859937 374983041 /nfs/dbraw/zinc/98/30/41/374983041.db2.gz AWCMUYYOBKROPS-ZIAGYGMSSA-N 2 0 325.457 -1.112 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1C(=O)CNC1=O ZINC000525438461 414826392 /nfs/dbraw/zinc/82/63/92/414826392.db2.gz CNAAAOOOANERBF-UHFFFAOYSA-N 2 0 328.417 -1.327 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000525810025 265039664 /nfs/dbraw/zinc/03/96/64/265039664.db2.gz MEIGOTJQOXQLNH-ZBFHGGJFSA-N 2 0 343.472 -1.385 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)C1 ZINC000528610205 415263076 /nfs/dbraw/zinc/26/30/76/415263076.db2.gz UKWMTJJIIFZVJB-HRCADAONSA-N 2 0 343.468 -1.008 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)C1 ZINC000528610210 415265230 /nfs/dbraw/zinc/26/52/30/415265230.db2.gz UKWMTJJIIFZVJB-JYJNAYRXSA-N 2 0 343.468 -1.008 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529373563 375004020 /nfs/dbraw/zinc/00/40/20/375004020.db2.gz FYRIJXJRZHCVCS-AWEZNQCLSA-N 2 0 339.440 -1.076 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529373565 415271776 /nfs/dbraw/zinc/27/17/76/415271776.db2.gz FYRIJXJRZHCVCS-CQSZACIVSA-N 2 0 339.440 -1.076 20 0 EAADRP O=C(CN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000529373863 265338780 /nfs/dbraw/zinc/33/87/80/265338780.db2.gz KALWCBGGHFAQPO-AWEZNQCLSA-N 2 0 339.440 -1.076 20 0 EAADRP O=C(CN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000529373864 265344196 /nfs/dbraw/zinc/34/41/96/265344196.db2.gz KALWCBGGHFAQPO-CQSZACIVSA-N 2 0 339.440 -1.076 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376070 415270929 /nfs/dbraw/zinc/27/09/29/415270929.db2.gz LNFKZRFYKNVHPW-KBPBESRZSA-N 2 0 339.440 -1.077 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376095 415271962 /nfs/dbraw/zinc/27/19/62/415271962.db2.gz LNFKZRFYKNVHPW-KGLIPLIRSA-N 2 0 339.440 -1.077 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376096 265221272 /nfs/dbraw/zinc/22/12/72/265221272.db2.gz LNFKZRFYKNVHPW-UONOGXRCSA-N 2 0 339.440 -1.077 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376097 265125947 /nfs/dbraw/zinc/12/59/47/265125947.db2.gz LNFKZRFYKNVHPW-ZIAGYGMSSA-N 2 0 339.440 -1.077 20 0 EAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000529385739 265086041 /nfs/dbraw/zinc/08/60/41/265086041.db2.gz GUODXURGFNUPGR-KBPBESRZSA-N 2 0 339.440 -1.172 20 0 EAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000529385741 415268195 /nfs/dbraw/zinc/26/81/95/415268195.db2.gz GUODXURGFNUPGR-KGLIPLIRSA-N 2 0 339.440 -1.172 20 0 EAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000529385743 415272011 /nfs/dbraw/zinc/27/20/11/415272011.db2.gz GUODXURGFNUPGR-UONOGXRCSA-N 2 0 339.440 -1.172 20 0 EAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000529385745 265387760 /nfs/dbraw/zinc/38/77/60/265387760.db2.gz GUODXURGFNUPGR-ZIAGYGMSSA-N 2 0 339.440 -1.172 20 0 EAADRP O=C(CCN1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC000530224625 265176126 /nfs/dbraw/zinc/17/61/26/265176126.db2.gz UCSCNBOEVYEMOP-UHFFFAOYSA-N 2 0 338.456 -1.549 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000530819301 374264904 /nfs/dbraw/zinc/26/49/04/374264904.db2.gz KKUAYDTYWXBHDT-KGLIPLIRSA-N 2 0 325.457 -1.242 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000530819303 265060028 /nfs/dbraw/zinc/06/00/28/265060028.db2.gz KKUAYDTYWXBHDT-ZIAGYGMSSA-N 2 0 325.457 -1.242 20 0 EAADRP CN(C)C(=O)Cn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000531357678 414902790 /nfs/dbraw/zinc/90/27/90/414902790.db2.gz VEPQYKHTMBUCCC-UHFFFAOYSA-N 2 0 339.444 -1.068 20 0 EAADRP C[C@@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000532095912 374729623 /nfs/dbraw/zinc/72/96/23/374729623.db2.gz PMAVDPQAWKONOI-GRYCIOLGSA-N 2 0 326.397 -1.360 20 0 EAADRP C[C@@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000532095913 374729989 /nfs/dbraw/zinc/72/99/89/374729989.db2.gz PMAVDPQAWKONOI-IJLUTSLNSA-N 2 0 326.397 -1.360 20 0 EAADRP C[C@@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000532095914 374729259 /nfs/dbraw/zinc/72/92/59/374729259.db2.gz PMAVDPQAWKONOI-UTUOFQBUSA-N 2 0 326.397 -1.360 20 0 EAADRP C[C@@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000532095915 374729009 /nfs/dbraw/zinc/72/90/09/374729009.db2.gz PMAVDPQAWKONOI-WOPDTQHZSA-N 2 0 326.397 -1.360 20 0 EAADRP CNS(=O)(=O)[C@@H]1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000533534402 374260148 /nfs/dbraw/zinc/26/01/48/374260148.db2.gz DXKDQZHCVYEJBC-GHMZBOCLSA-N 2 0 332.426 -1.701 20 0 EAADRP CNS(=O)(=O)[C@@H]1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000533534403 374260562 /nfs/dbraw/zinc/26/05/62/374260562.db2.gz DXKDQZHCVYEJBC-MNOVXSKESA-N 2 0 332.426 -1.701 20 0 EAADRP CNS(=O)(=O)[C@H]1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000533534404 374260434 /nfs/dbraw/zinc/26/04/34/374260434.db2.gz DXKDQZHCVYEJBC-QWRGUYRKSA-N 2 0 332.426 -1.701 20 0 EAADRP CNS(=O)(=O)[C@H]1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000533534405 374259881 /nfs/dbraw/zinc/25/98/81/374259881.db2.gz DXKDQZHCVYEJBC-WDEREUQCSA-N 2 0 332.426 -1.701 20 0 EAADRP CNS(=O)(=O)[C@@H]1CCN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000533534550 374259220 /nfs/dbraw/zinc/25/92/20/374259220.db2.gz WQCFVPIFLSBYDQ-NEPJUHHUSA-N 2 0 346.453 -1.311 20 0 EAADRP CNS(=O)(=O)[C@H]1CCN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000533534551 374260587 /nfs/dbraw/zinc/26/05/87/374260587.db2.gz WQCFVPIFLSBYDQ-NWDGAFQWSA-N 2 0 346.453 -1.311 20 0 EAADRP CNS(=O)(=O)[C@H]1CCN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000533534552 374260504 /nfs/dbraw/zinc/26/05/04/374260504.db2.gz WQCFVPIFLSBYDQ-RYUDHWBXSA-N 2 0 346.453 -1.311 20 0 EAADRP CNS(=O)(=O)[C@@H]1CCN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000533534553 374259172 /nfs/dbraw/zinc/25/91/72/374259172.db2.gz WQCFVPIFLSBYDQ-VXGBXAGGSA-N 2 0 346.453 -1.311 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000539566987 375011318 /nfs/dbraw/zinc/01/13/18/375011318.db2.gz DPZDSKGIIPNFBS-UHFFFAOYSA-N 2 0 329.445 -1.020 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1CCNC(=O)C1 ZINC000542834879 375016805 /nfs/dbraw/zinc/01/68/05/375016805.db2.gz NHMRHAUWOLFYKC-UHFFFAOYSA-N 2 0 328.461 -1.447 20 0 EAADRP Cc1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1C ZINC000551100241 415432275 /nfs/dbraw/zinc/43/22/75/415432275.db2.gz LVURAYJSVXPMQN-UHFFFAOYSA-N 2 0 325.417 -0.986 20 0 EAADRP CCN1CCN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)C1=O ZINC000551763096 375041191 /nfs/dbraw/zinc/04/11/91/375041191.db2.gz LUMGLMBFOMENRK-UHFFFAOYSA-N 2 0 341.456 -1.371 20 0 EAADRP CN1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000554517074 375047497 /nfs/dbraw/zinc/04/74/97/375047497.db2.gz ANXZPJKOASIBOE-CYBMUJFWSA-N 2 0 341.456 -1.325 20 0 EAADRP CN1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000554517075 375046974 /nfs/dbraw/zinc/04/69/74/375046974.db2.gz ANXZPJKOASIBOE-ZDUSSCGKSA-N 2 0 341.456 -1.325 20 0 EAADRP CCn1ncnc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000554672102 375047512 /nfs/dbraw/zinc/04/75/12/375047512.db2.gz ACNORBHKFOCIKT-UHFFFAOYSA-N 2 0 339.444 -1.134 20 0 EAADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000556564046 415425859 /nfs/dbraw/zinc/42/58/59/415425859.db2.gz LPOIXYPFAUJLNE-UHFFFAOYSA-N 2 0 338.412 -0.625 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCCO1 ZINC000556582117 374285356 /nfs/dbraw/zinc/28/53/56/374285356.db2.gz VTQHDCUEPKPXDE-CYBMUJFWSA-N 2 0 330.429 -1.530 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCCO1 ZINC000556582118 374285298 /nfs/dbraw/zinc/28/52/98/374285298.db2.gz VTQHDCUEPKPXDE-ZDUSSCGKSA-N 2 0 330.429 -1.530 20 0 EAADRP CCN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000556795387 374284596 /nfs/dbraw/zinc/28/45/96/374284596.db2.gz RYMDYWYPJCSCAP-UHFFFAOYSA-N 2 0 341.456 -1.371 20 0 EAADRP CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000557246471 374290864 /nfs/dbraw/zinc/29/08/64/374290864.db2.gz ODQLOPXUADGUBD-KBPBESRZSA-N 2 0 325.457 -1.064 20 0 EAADRP CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000557246472 374290260 /nfs/dbraw/zinc/29/02/60/374290260.db2.gz ODQLOPXUADGUBD-KGLIPLIRSA-N 2 0 325.457 -1.064 20 0 EAADRP CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@H](C[NH3+])C1 ZINC000557246473 374289682 /nfs/dbraw/zinc/28/96/82/374289682.db2.gz ODQLOPXUADGUBD-UONOGXRCSA-N 2 0 325.457 -1.064 20 0 EAADRP CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H](C[NH3+])C1 ZINC000557246474 374289318 /nfs/dbraw/zinc/28/93/18/374289318.db2.gz ODQLOPXUADGUBD-ZIAGYGMSSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](Cn1cncn1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000560852800 374359882 /nfs/dbraw/zinc/35/98/82/374359882.db2.gz VGUJZXNYSCDFHH-CYBMUJFWSA-N 2 0 339.444 -1.265 20 0 EAADRP C[C@@H](Cn1cncn1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000560852804 374360156 /nfs/dbraw/zinc/36/01/56/374360156.db2.gz VGUJZXNYSCDFHH-ZDUSSCGKSA-N 2 0 339.444 -1.265 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000561253304 374365434 /nfs/dbraw/zinc/36/54/34/374365434.db2.gz KIJLCEOFWQMLRQ-CYBMUJFWSA-N 2 0 329.445 -1.828 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561253311 374364054 /nfs/dbraw/zinc/36/40/54/374364054.db2.gz KIJLCEOFWQMLRQ-ZDUSSCGKSA-N 2 0 329.445 -1.828 20 0 EAADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000561256466 374365063 /nfs/dbraw/zinc/36/50/63/374365063.db2.gz ZEXILSQHXUOUFT-KBPBESRZSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000561256469 374365358 /nfs/dbraw/zinc/36/53/58/374365358.db2.gz ZEXILSQHXUOUFT-KGLIPLIRSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000561256470 374364843 /nfs/dbraw/zinc/36/48/43/374364843.db2.gz ZEXILSQHXUOUFT-UONOGXRCSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000561256472 374364366 /nfs/dbraw/zinc/36/43/66/374364366.db2.gz ZEXILSQHXUOUFT-ZIAGYGMSSA-N 2 0 325.457 -1.064 20 0 EAADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561267038 374364092 /nfs/dbraw/zinc/36/40/92/374364092.db2.gz XJCFZTXHTQGCHZ-UHFFFAOYSA-N 2 0 341.456 -1.419 20 0 EAADRP CN1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC1=O ZINC000562093354 374370921 /nfs/dbraw/zinc/37/09/21/374370921.db2.gz UWLVVEVLLLCQSD-CYBMUJFWSA-N 2 0 341.456 -1.325 20 0 EAADRP CN1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC1=O ZINC000562093356 374372503 /nfs/dbraw/zinc/37/25/03/374372503.db2.gz UWLVVEVLLLCQSD-ZDUSSCGKSA-N 2 0 341.456 -1.325 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000562825519 374375978 /nfs/dbraw/zinc/37/59/78/374375978.db2.gz VPHVAEXFPHBKOE-KBPBESRZSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000562825520 374376260 /nfs/dbraw/zinc/37/62/60/374376260.db2.gz VPHVAEXFPHBKOE-KGLIPLIRSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000562825521 374377284 /nfs/dbraw/zinc/37/72/84/374377284.db2.gz VPHVAEXFPHBKOE-UONOGXRCSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000562825522 374377681 /nfs/dbraw/zinc/37/76/81/374377681.db2.gz VPHVAEXFPHBKOE-ZIAGYGMSSA-N 2 0 325.457 -1.064 20 0 EAADRP CN1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H](C[NH3+])C1 ZINC000562828302 374377702 /nfs/dbraw/zinc/37/77/02/374377702.db2.gz GIEAXGFTVQTZOP-DOMZBBRYSA-N 2 0 343.497 -1.359 20 0 EAADRP CN1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C[NH3+])C1 ZINC000562828305 374377514 /nfs/dbraw/zinc/37/75/14/374377514.db2.gz GIEAXGFTVQTZOP-IUODEOHRSA-N 2 0 343.497 -1.359 20 0 EAADRP CN1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C[NH3+])C1 ZINC000562828307 374376212 /nfs/dbraw/zinc/37/62/12/374376212.db2.gz GIEAXGFTVQTZOP-SWLSCSKDSA-N 2 0 343.497 -1.359 20 0 EAADRP CN1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@@H](C[NH3+])C1 ZINC000562828309 374375939 /nfs/dbraw/zinc/37/59/39/374375939.db2.gz GIEAXGFTVQTZOP-WFASDCNBSA-N 2 0 343.497 -1.359 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000562831801 374376219 /nfs/dbraw/zinc/37/62/19/374376219.db2.gz PQLUFMJASLGLJE-UHFFFAOYSA-N 2 0 327.429 -1.619 20 0 EAADRP CNC(=O)CCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563147470 374546742 /nfs/dbraw/zinc/54/67/42/374546742.db2.gz CXXKKEKTNSPEFR-UHFFFAOYSA-N 2 0 329.445 -1.467 20 0 EAADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563153051 374546359 /nfs/dbraw/zinc/54/63/59/374546359.db2.gz QZMQHZVAQZUFRR-CYBMUJFWSA-N 2 0 340.424 -1.191 20 0 EAADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563153052 374545385 /nfs/dbraw/zinc/54/53/85/374545385.db2.gz QZMQHZVAQZUFRR-ZDUSSCGKSA-N 2 0 340.424 -1.191 20 0 EAADRP O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000563153079 374545801 /nfs/dbraw/zinc/54/58/01/374545801.db2.gz XTKWRWSYQVDVLE-HNNXBMFYSA-N 3 0 337.468 -1.048 20 0 EAADRP O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000563153106 374546797 /nfs/dbraw/zinc/54/67/97/374546797.db2.gz XTKWRWSYQVDVLE-OAHLLOKOSA-N 3 0 337.468 -1.048 20 0 EAADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000563453895 374592118 /nfs/dbraw/zinc/59/21/18/374592118.db2.gz HYKBLXDOOMWYKW-AWEZNQCLSA-N 2 0 346.435 -1.072 20 0 EAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563521542 374595680 /nfs/dbraw/zinc/59/56/80/374595680.db2.gz RQJASGBKDYNMFR-CYBMUJFWSA-N 2 0 327.429 -1.172 20 0 EAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563521543 374595628 /nfs/dbraw/zinc/59/56/28/374595628.db2.gz RQJASGBKDYNMFR-ZDUSSCGKSA-N 2 0 327.429 -1.172 20 0 EAADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563549515 374596151 /nfs/dbraw/zinc/59/61/51/374596151.db2.gz ZIJLYXZGHSZEJJ-AVGNSLFASA-N 2 0 339.440 -1.397 20 0 EAADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563549516 374598534 /nfs/dbraw/zinc/59/85/34/374598534.db2.gz ZIJLYXZGHSZEJJ-RWMBFGLXSA-N 2 0 339.440 -1.397 20 0 EAADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563549517 374598176 /nfs/dbraw/zinc/59/81/76/374598176.db2.gz ZIJLYXZGHSZEJJ-XQQFMLRXSA-N 2 0 339.440 -1.397 20 0 EAADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563549518 374598936 /nfs/dbraw/zinc/59/89/36/374598936.db2.gz ZIJLYXZGHSZEJJ-YNEHKIRRSA-N 2 0 339.440 -1.397 20 0 EAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563638047 374598452 /nfs/dbraw/zinc/59/84/52/374598452.db2.gz RIVWCCXXKVHILK-NEPJUHHUSA-N 2 0 325.413 -1.785 20 0 EAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563638067 374597264 /nfs/dbraw/zinc/59/72/64/374597264.db2.gz RIVWCCXXKVHILK-NWDGAFQWSA-N 2 0 325.413 -1.785 20 0 EAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563638068 374598437 /nfs/dbraw/zinc/59/84/37/374598437.db2.gz RIVWCCXXKVHILK-RYUDHWBXSA-N 2 0 325.413 -1.785 20 0 EAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563638069 374597433 /nfs/dbraw/zinc/59/74/33/374597433.db2.gz RIVWCCXXKVHILK-VXGBXAGGSA-N 2 0 325.413 -1.785 20 0 EAADRP O=C(CNC(=O)C(=O)N1CCN(C2CCC2)CC1)N1CC[NH2+]CC1 ZINC000563660702 374597837 /nfs/dbraw/zinc/59/78/37/374597837.db2.gz PBRDPAYRVPPQBZ-UHFFFAOYSA-N 2 0 337.424 -1.769 20 0 EAADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000563692338 374682967 /nfs/dbraw/zinc/68/29/67/374682967.db2.gz UYUXRCKFKFICGQ-AWEZNQCLSA-N 2 0 325.457 -1.064 20 0 EAADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000563692364 374684106 /nfs/dbraw/zinc/68/41/06/374684106.db2.gz UYUXRCKFKFICGQ-CQSZACIVSA-N 2 0 325.457 -1.064 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000563875934 374691656 /nfs/dbraw/zinc/69/16/56/374691656.db2.gz HFZMAVKAMCVBQN-UHFFFAOYSA-N 2 0 325.413 -1.913 20 0 EAADRP CN1CCN(c2cc(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)ncn2)CC1=O ZINC000563898583 374729445 /nfs/dbraw/zinc/72/94/45/374729445.db2.gz IUCWVDXNKYYZJQ-NEPJUHHUSA-N 2 0 345.407 -1.497 20 0 EAADRP CN1CCN(c2cc(N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)ncn2)CC1=O ZINC000563898584 374729957 /nfs/dbraw/zinc/72/99/57/374729957.db2.gz IUCWVDXNKYYZJQ-NWDGAFQWSA-N 2 0 345.407 -1.497 20 0 EAADRP CN1CCN(c2cc(N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)ncn2)CC1=O ZINC000563898585 374729345 /nfs/dbraw/zinc/72/93/45/374729345.db2.gz IUCWVDXNKYYZJQ-RYUDHWBXSA-N 2 0 345.407 -1.497 20 0 EAADRP CN1CCN(c2cc(N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)ncn2)CC1=O ZINC000563898586 374729904 /nfs/dbraw/zinc/72/99/04/374729904.db2.gz IUCWVDXNKYYZJQ-VXGBXAGGSA-N 2 0 345.407 -1.497 20 0 EAADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000563900498 374733693 /nfs/dbraw/zinc/73/36/93/374733693.db2.gz XMELZZSLTKCGOK-AVGNSLFASA-N 2 0 337.424 -1.643 20 0 EAADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000563900507 374734060 /nfs/dbraw/zinc/73/40/60/374734060.db2.gz XMELZZSLTKCGOK-RWMBFGLXSA-N 2 0 337.424 -1.643 20 0 EAADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000563900508 374733873 /nfs/dbraw/zinc/73/38/73/374733873.db2.gz XMELZZSLTKCGOK-XQQFMLRXSA-N 2 0 337.424 -1.643 20 0 EAADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000563900511 374733474 /nfs/dbraw/zinc/73/34/74/374733474.db2.gz XMELZZSLTKCGOK-YNEHKIRRSA-N 2 0 337.424 -1.643 20 0 EAADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000564352686 375032793 /nfs/dbraw/zinc/03/27/93/375032793.db2.gz VLGUUIGLPROGPU-AWEZNQCLSA-N 2 0 346.435 -1.072 20 0 EAADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000564787711 374543095 /nfs/dbraw/zinc/54/30/95/374543095.db2.gz VHAFYYYPKOPCBD-UHFFFAOYSA-N 3 0 346.435 -1.202 20 0 EAADRP C[NH+]1CCC(C[NH2+]CCC(=O)NC(N)=O)(N2CCOCC2)CC1 ZINC000564856069 374295349 /nfs/dbraw/zinc/29/53/49/374295349.db2.gz JXSDQLDOZVJKHJ-UHFFFAOYSA-N 2 0 327.429 -1.042 20 0 EAADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564949535 375051937 /nfs/dbraw/zinc/05/19/37/375051937.db2.gz ZGLNMFBEYLGKJU-CHWSQXEVSA-N 2 0 339.440 -1.299 20 0 EAADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564949536 374349283 /nfs/dbraw/zinc/34/92/83/374349283.db2.gz ZGLNMFBEYLGKJU-OLZOCXBDSA-N 2 0 339.440 -1.299 20 0 EAADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564949537 374349164 /nfs/dbraw/zinc/34/91/64/374349164.db2.gz ZGLNMFBEYLGKJU-QWHCGFSZSA-N 2 0 339.440 -1.299 20 0 EAADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564949538 374349590 /nfs/dbraw/zinc/34/95/90/374349590.db2.gz ZGLNMFBEYLGKJU-STQMWFEESA-N 2 0 339.440 -1.299 20 0 EAADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000564988207 375053380 /nfs/dbraw/zinc/05/33/80/375053380.db2.gz BMYYHADXFNXTCG-GFCCVEGCSA-N 2 0 328.413 -1.205 20 0 EAADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000564988208 375052831 /nfs/dbraw/zinc/05/28/31/375052831.db2.gz BMYYHADXFNXTCG-LBPRGKRZSA-N 2 0 328.413 -1.205 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565252961 375057380 /nfs/dbraw/zinc/05/73/80/375057380.db2.gz FZXQPRSXCZPEJE-CHWSQXEVSA-N 2 0 327.429 -1.092 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565252962 375057032 /nfs/dbraw/zinc/05/70/32/375057032.db2.gz FZXQPRSXCZPEJE-OLZOCXBDSA-N 2 0 327.429 -1.092 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565252963 375057551 /nfs/dbraw/zinc/05/75/51/375057551.db2.gz FZXQPRSXCZPEJE-QWHCGFSZSA-N 2 0 327.429 -1.092 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565252964 375057825 /nfs/dbraw/zinc/05/78/25/375057825.db2.gz FZXQPRSXCZPEJE-STQMWFEESA-N 2 0 327.429 -1.092 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000565254894 374412670 /nfs/dbraw/zinc/41/26/70/374412670.db2.gz PYFAGKFVMHOFDC-GFCCVEGCSA-N 2 0 327.429 -1.503 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000565254896 374412117 /nfs/dbraw/zinc/41/21/17/374412117.db2.gz PYFAGKFVMHOFDC-LBPRGKRZSA-N 2 0 327.429 -1.503 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000565256049 375057758 /nfs/dbraw/zinc/05/77/58/375057758.db2.gz YVMZUUVGTMZECH-CYZMBNFOSA-N 2 0 335.408 -1.890 20 0 EAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000565256050 375056962 /nfs/dbraw/zinc/05/69/62/375056962.db2.gz YVMZUUVGTMZECH-KGYLQXTDSA-N 2 0 335.408 -1.890 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000565256051 375056895 /nfs/dbraw/zinc/05/68/95/375056895.db2.gz YVMZUUVGTMZECH-RAIGVLPGSA-N 2 0 335.408 -1.890 20 0 EAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000565256052 375058047 /nfs/dbraw/zinc/05/80/47/375058047.db2.gz YVMZUUVGTMZECH-WCFLWFBJSA-N 2 0 335.408 -1.890 20 0 EAADRP CC[NH+](CC)CCN(C(=O)CNC(=O)C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000565599380 375059129 /nfs/dbraw/zinc/05/91/29/375059129.db2.gz DZZBZOXLBONJKK-GFCCVEGCSA-N 2 0 348.469 -1.581 20 0 EAADRP CC[NH+](CC)CCN(C(=O)CNC(=O)C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000565599381 375059317 /nfs/dbraw/zinc/05/93/17/375059317.db2.gz DZZBZOXLBONJKK-LBPRGKRZSA-N 2 0 348.469 -1.581 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565941566 375060379 /nfs/dbraw/zinc/06/03/79/375060379.db2.gz TWLVDZXGGMGHJZ-CYBMUJFWSA-N 2 0 329.445 -1.828 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000565941567 375059974 /nfs/dbraw/zinc/05/99/74/375059974.db2.gz TWLVDZXGGMGHJZ-ZDUSSCGKSA-N 2 0 329.445 -1.828 20 0 EAADRP CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566005303 583175717 /nfs/dbraw/zinc/17/57/17/583175717.db2.gz BVHZLMQCAFJBQI-CYBMUJFWSA-N 2 0 337.490 -1.983 20 0 EAADRP CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566005304 583175731 /nfs/dbraw/zinc/17/57/31/583175731.db2.gz BVHZLMQCAFJBQI-ZDUSSCGKSA-N 2 0 337.490 -1.983 20 0 EAADRP C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566034210 375060978 /nfs/dbraw/zinc/06/09/78/375060978.db2.gz AQYXNGPXMONUFU-AMXDTQDGSA-N 2 0 334.486 -1.179 20 0 EAADRP C[C@H](C[S@](C)=O)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566034211 375062228 /nfs/dbraw/zinc/06/22/28/375062228.db2.gz AQYXNGPXMONUFU-IPQOISQHSA-N 2 0 334.486 -1.179 20 0 EAADRP C[C@H](C[S@@](C)=O)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566034212 375061960 /nfs/dbraw/zinc/06/19/60/375061960.db2.gz AQYXNGPXMONUFU-VERVWZFWSA-N 2 0 334.486 -1.179 20 0 EAADRP C[C@@H](C[S@](C)=O)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566034213 375062357 /nfs/dbraw/zinc/06/23/57/375062357.db2.gz AQYXNGPXMONUFU-YTEVENLXSA-N 2 0 334.486 -1.179 20 0 EAADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566067470 375061171 /nfs/dbraw/zinc/06/11/71/375061171.db2.gz GUOJFRFYMXETHG-CHWSQXEVSA-N 2 0 340.424 -1.063 20 0 EAADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566067471 375062322 /nfs/dbraw/zinc/06/23/22/375062322.db2.gz GUOJFRFYMXETHG-OLZOCXBDSA-N 2 0 340.424 -1.063 20 0 EAADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566067472 375062440 /nfs/dbraw/zinc/06/24/40/375062440.db2.gz GUOJFRFYMXETHG-QWHCGFSZSA-N 2 0 340.424 -1.063 20 0 EAADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566067473 668338196 /nfs/dbraw/zinc/33/81/96/668338196.db2.gz GUOJFRFYMXETHG-STQMWFEESA-N 2 0 340.424 -1.063 20 0 EAADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000566157694 375061363 /nfs/dbraw/zinc/06/13/63/375061363.db2.gz MXQIDFDLUXKUCX-NWDGAFQWSA-N 2 0 328.413 -1.064 20 0 EAADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000566157695 375061762 /nfs/dbraw/zinc/06/17/62/375061762.db2.gz MXQIDFDLUXKUCX-RYUDHWBXSA-N 2 0 328.413 -1.064 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000566511209 375066413 /nfs/dbraw/zinc/06/64/13/375066413.db2.gz MEHDZBLTAHZQSB-AAVRWANBSA-N 2 0 349.435 -1.500 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000566511210 375066300 /nfs/dbraw/zinc/06/63/00/375066300.db2.gz MEHDZBLTAHZQSB-MQYQWHSLSA-N 2 0 349.435 -1.500 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000566511211 375066231 /nfs/dbraw/zinc/06/62/31/375066231.db2.gz MEHDZBLTAHZQSB-SYQHCUMBSA-N 2 0 349.435 -1.500 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000566511212 375066383 /nfs/dbraw/zinc/06/63/83/375066383.db2.gz MEHDZBLTAHZQSB-YIYPIFLZSA-N 2 0 349.435 -1.500 20 0 EAADRP C[C@@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000566610378 375068136 /nfs/dbraw/zinc/06/81/36/375068136.db2.gz RFPXKWRVJQKMSH-GFCCVEGCSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000566610454 375067273 /nfs/dbraw/zinc/06/72/73/375067273.db2.gz RFPXKWRVJQKMSH-LBPRGKRZSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)NCC[NH+](C)C ZINC000566641689 374370049 /nfs/dbraw/zinc/37/00/49/374370049.db2.gz SYGCRHKMMKOUJN-CHWSQXEVSA-N 2 0 341.456 -1.421 20 0 EAADRP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)NCC[NH+](C)C ZINC000566641690 374368636 /nfs/dbraw/zinc/36/86/36/374368636.db2.gz SYGCRHKMMKOUJN-OLZOCXBDSA-N 2 0 341.456 -1.421 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)NCC[NH+](C)C ZINC000566641691 374369198 /nfs/dbraw/zinc/36/91/98/374369198.db2.gz SYGCRHKMMKOUJN-QWHCGFSZSA-N 2 0 341.456 -1.421 20 0 EAADRP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)NCC[NH+](C)C ZINC000566641692 374369420 /nfs/dbraw/zinc/36/94/20/374369420.db2.gz SYGCRHKMMKOUJN-STQMWFEESA-N 2 0 341.456 -1.421 20 0 EAADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000566846472 375066963 /nfs/dbraw/zinc/06/69/63/375066963.db2.gz VMBQWADNQQPRAH-UHFFFAOYSA-N 2 0 341.456 -1.275 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000567026949 374376994 /nfs/dbraw/zinc/37/69/94/374376994.db2.gz AVFGLMBGAXKQNR-GFCCVEGCSA-N 2 0 343.428 -2.349 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000567026950 374379924 /nfs/dbraw/zinc/37/99/24/374379924.db2.gz AVFGLMBGAXKQNR-LBPRGKRZSA-N 2 0 343.428 -2.349 20 0 EAADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000567337923 375070309 /nfs/dbraw/zinc/07/03/09/375070309.db2.gz LMPNOMCPZFVJMW-AWEZNQCLSA-N 2 0 325.457 -1.064 20 0 EAADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000567337924 375070330 /nfs/dbraw/zinc/07/03/30/375070330.db2.gz LMPNOMCPZFVJMW-CQSZACIVSA-N 2 0 325.457 -1.064 20 0 EAADRP CC(C)[NH+](CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000567716428 375074635 /nfs/dbraw/zinc/07/46/35/375074635.db2.gz BMLQNHAYLKMCOW-UHFFFAOYSA-N 2 0 341.456 -1.231 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCCC1=O ZINC000568161614 375078603 /nfs/dbraw/zinc/07/86/03/375078603.db2.gz FBJPHDKOBFDLRX-UHFFFAOYSA-N 2 0 341.456 -1.323 20 0 EAADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000568232940 375081046 /nfs/dbraw/zinc/08/10/46/375081046.db2.gz TUMUYGOIRXJXSS-AWEZNQCLSA-N 2 0 341.456 -1.190 20 0 EAADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000568232941 375080546 /nfs/dbraw/zinc/08/05/46/375080546.db2.gz TUMUYGOIRXJXSS-CQSZACIVSA-N 2 0 341.456 -1.190 20 0 EAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000568761230 375084239 /nfs/dbraw/zinc/08/42/39/375084239.db2.gz SPIRNXRTQXAUBN-NEPJUHHUSA-N 2 0 326.397 -1.453 20 0 EAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000568761231 375084476 /nfs/dbraw/zinc/08/44/76/375084476.db2.gz SPIRNXRTQXAUBN-RYUDHWBXSA-N 2 0 326.397 -1.453 20 0 EAADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000568858935 375086317 /nfs/dbraw/zinc/08/63/17/375086317.db2.gz VRHPWVCURNYUFS-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000568858936 375087065 /nfs/dbraw/zinc/08/70/65/375087065.db2.gz VRHPWVCURNYUFS-ZDUSSCGKSA-N 2 0 339.440 -1.523 20 0 EAADRP [NH3+]CCn1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nn1 ZINC000568883386 375087080 /nfs/dbraw/zinc/08/70/80/375087080.db2.gz HJCRCPFYRURMEA-JTQLQIEISA-N 2 0 335.334 -1.197 20 0 EAADRP [NH3+]CCn1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nn1 ZINC000568883387 375087298 /nfs/dbraw/zinc/08/72/98/375087298.db2.gz HJCRCPFYRURMEA-SNVBAGLBSA-N 2 0 335.334 -1.197 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)CC1=O ZINC000569029067 375086759 /nfs/dbraw/zinc/08/67/59/375086759.db2.gz XRPUCZHXSPYLLF-CXAGYDPISA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)CC1=O ZINC000569029068 375087632 /nfs/dbraw/zinc/08/76/32/375087632.db2.gz XRPUCZHXSPYLLF-DYVFJYSZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)CC1=O ZINC000569029070 375087153 /nfs/dbraw/zinc/08/71/53/375087153.db2.gz XRPUCZHXSPYLLF-GUYCJALGSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)CC1=O ZINC000569029072 375086881 /nfs/dbraw/zinc/08/68/81/375086881.db2.gz XRPUCZHXSPYLLF-SUMWQHHRSA-N 2 0 338.452 -1.031 20 0 EAADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000569094008 375086896 /nfs/dbraw/zinc/08/68/96/375086896.db2.gz GDQRTCMEUGWXRV-UHFFFAOYSA-N 2 0 342.488 -1.057 20 0 EAADRP CNC(=O)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000569226954 375089237 /nfs/dbraw/zinc/08/92/37/375089237.db2.gz HCGXOLFGILRGOF-CYBMUJFWSA-N 2 0 341.456 -1.467 20 0 EAADRP CNC(=O)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000569226965 375089422 /nfs/dbraw/zinc/08/94/22/375089422.db2.gz HCGXOLFGILRGOF-ZDUSSCGKSA-N 2 0 341.456 -1.467 20 0 EAADRP COCC[NH2+]C1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000569493349 374335302 /nfs/dbraw/zinc/33/53/02/374335302.db2.gz XSNDMEZIXDFTKT-UHFFFAOYSA-N 2 0 327.429 -1.172 20 0 EAADRP CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000569567113 374337909 /nfs/dbraw/zinc/33/79/09/374337909.db2.gz KYECGPHLIFQCNQ-UHFFFAOYSA-N 2 0 327.429 -1.761 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1=O ZINC000569622892 374365253 /nfs/dbraw/zinc/36/52/53/374365253.db2.gz LNGWWGKJNRFRRK-AGIUHOORSA-N 2 0 337.424 -1.833 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1=O ZINC000569622893 374365225 /nfs/dbraw/zinc/36/52/25/374365225.db2.gz LNGWWGKJNRFRRK-FRRDWIJNSA-N 2 0 337.424 -1.833 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1=O ZINC000569622894 374365584 /nfs/dbraw/zinc/36/55/84/374365584.db2.gz LNGWWGKJNRFRRK-JHJVBQTASA-N 2 0 337.424 -1.833 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1=O ZINC000569622895 374364682 /nfs/dbraw/zinc/36/46/82/374364682.db2.gz LNGWWGKJNRFRRK-UPJWGTAASA-N 2 0 337.424 -1.833 20 0 EAADRP C[NH+](C)C1(CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCCC1 ZINC000569698464 374384127 /nfs/dbraw/zinc/38/41/27/374384127.db2.gz BQMSKUDHZSBVDP-UHFFFAOYSA-N 2 0 339.440 -1.475 20 0 EAADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000569795753 374388998 /nfs/dbraw/zinc/38/89/98/374388998.db2.gz OSBUOXBECLSXPF-GFCCVEGCSA-N 2 0 327.429 -1.619 20 0 EAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000570088446 374392960 /nfs/dbraw/zinc/39/29/60/374392960.db2.gz HBKJPZGQXSOQTA-LBPRGKRZSA-N 2 0 326.397 -1.357 20 0 EAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000570446483 374399674 /nfs/dbraw/zinc/39/96/74/374399674.db2.gz XKRZTULSVDLEMX-GFCCVEGCSA-N 2 0 325.413 -1.865 20 0 EAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570446489 374399717 /nfs/dbraw/zinc/39/97/17/374399717.db2.gz XKRZTULSVDLEMX-LBPRGKRZSA-N 2 0 325.413 -1.865 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000570827788 374405010 /nfs/dbraw/zinc/40/50/10/374405010.db2.gz ZXEBPPPGBQLNHN-ZDUSSCGKSA-N 2 0 337.424 -1.769 20 0 EAADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571031354 374576077 /nfs/dbraw/zinc/57/60/77/374576077.db2.gz HWJLFPJGENPSQY-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP CSCC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000571081639 374597581 /nfs/dbraw/zinc/59/75/81/374597581.db2.gz MNURFIXDAMYHEE-LLVKDONJSA-N 2 0 336.483 -1.487 20 0 EAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571582988 374611027 /nfs/dbraw/zinc/61/10/27/374611027.db2.gz PFTKTARPCSKBIG-GRYCIOLGSA-N 2 0 325.413 -1.787 20 0 EAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571582989 374610979 /nfs/dbraw/zinc/61/09/79/374610979.db2.gz PFTKTARPCSKBIG-IJLUTSLNSA-N 2 0 325.413 -1.787 20 0 EAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571582990 374611535 /nfs/dbraw/zinc/61/15/35/374611535.db2.gz PFTKTARPCSKBIG-UTUOFQBUSA-N 2 0 325.413 -1.787 20 0 EAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571582991 374612651 /nfs/dbraw/zinc/61/26/51/374612651.db2.gz PFTKTARPCSKBIG-WOPDTQHZSA-N 2 0 325.413 -1.787 20 0 EAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000571703035 374838122 /nfs/dbraw/zinc/83/81/22/374838122.db2.gz VTSLHALGTKJDAD-CYBMUJFWSA-N 2 0 341.456 -1.148 20 0 EAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000571703036 374838758 /nfs/dbraw/zinc/83/87/58/374838758.db2.gz VTSLHALGTKJDAD-ZDUSSCGKSA-N 2 0 341.456 -1.148 20 0 EAADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571820037 374839876 /nfs/dbraw/zinc/83/98/76/374839876.db2.gz AJCFLGFZRQRXCD-AVGNSLFASA-N 2 0 339.440 -1.397 20 0 EAADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571820040 374840092 /nfs/dbraw/zinc/84/00/92/374840092.db2.gz AJCFLGFZRQRXCD-RWMBFGLXSA-N 2 0 339.440 -1.397 20 0 EAADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571820041 374840113 /nfs/dbraw/zinc/84/01/13/374840113.db2.gz AJCFLGFZRQRXCD-XQQFMLRXSA-N 2 0 339.440 -1.397 20 0 EAADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571820044 374839688 /nfs/dbraw/zinc/83/96/88/374839688.db2.gz AJCFLGFZRQRXCD-YNEHKIRRSA-N 2 0 339.440 -1.397 20 0 EAADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572137466 374841817 /nfs/dbraw/zinc/84/18/17/374841817.db2.gz OCCDBTQICYFGCJ-GFCCVEGCSA-N 2 0 327.429 -1.619 20 0 EAADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572137467 374841730 /nfs/dbraw/zinc/84/17/30/374841730.db2.gz OCCDBTQICYFGCJ-LBPRGKRZSA-N 2 0 327.429 -1.619 20 0 EAADRP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)[N@H+]1CCO ZINC000572263095 374844217 /nfs/dbraw/zinc/84/42/17/374844217.db2.gz CXYFXLDJSBXVOP-BETUJISGSA-N 2 0 327.429 -1.485 20 0 EAADRP CC(=O)NCCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000572285682 374844983 /nfs/dbraw/zinc/84/49/83/374844983.db2.gz AFTWLNORJQGOAM-UHFFFAOYSA-N 2 0 329.445 -1.467 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000572543445 375047043 /nfs/dbraw/zinc/04/70/43/375047043.db2.gz IKNJPPBZMRJDTG-QWHCGFSZSA-N 2 0 337.424 -1.771 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000572543446 375047805 /nfs/dbraw/zinc/04/78/05/375047805.db2.gz IKNJPPBZMRJDTG-STQMWFEESA-N 2 0 337.424 -1.771 20 0 EAADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572619236 375089954 /nfs/dbraw/zinc/08/99/54/375089954.db2.gz BTPDGXVDLKUTIM-CYBMUJFWSA-N 2 0 341.456 -1.095 20 0 EAADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572619238 374367719 /nfs/dbraw/zinc/36/77/19/374367719.db2.gz BTPDGXVDLKUTIM-ZDUSSCGKSA-N 2 0 341.456 -1.095 20 0 EAADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)COC2C[NH2+]C2)c1 ZINC000572880777 375089599 /nfs/dbraw/zinc/08/95/99/375089599.db2.gz NVGGYEMZPXPOAA-UHFFFAOYSA-N 2 0 328.394 -1.150 20 0 EAADRP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000573096219 375090782 /nfs/dbraw/zinc/09/07/82/375090782.db2.gz NLBFZWPSUILZII-CYBMUJFWSA-N 2 0 346.435 -1.204 20 0 EAADRP C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000573096220 375091599 /nfs/dbraw/zinc/09/15/99/375091599.db2.gz NLBFZWPSUILZII-ZDUSSCGKSA-N 2 0 346.435 -1.204 20 0 EAADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573267428 375093359 /nfs/dbraw/zinc/09/33/59/375093359.db2.gz HVDUDHPYNBALMW-AGIUHOORSA-N 2 0 339.440 -1.397 20 0 EAADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573267429 375093383 /nfs/dbraw/zinc/09/33/83/375093383.db2.gz HVDUDHPYNBALMW-FRRDWIJNSA-N 2 0 339.440 -1.397 20 0 EAADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573267430 375094696 /nfs/dbraw/zinc/09/46/96/375094696.db2.gz HVDUDHPYNBALMW-JHJVBQTASA-N 2 0 339.440 -1.397 20 0 EAADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573267431 375094347 /nfs/dbraw/zinc/09/43/47/375094347.db2.gz HVDUDHPYNBALMW-UPJWGTAASA-N 2 0 339.440 -1.397 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000573460480 375093800 /nfs/dbraw/zinc/09/38/00/375093800.db2.gz YDIXVVQQPREISB-CHWSQXEVSA-N 2 0 337.424 -1.643 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000573460484 375094977 /nfs/dbraw/zinc/09/49/77/375094977.db2.gz YDIXVVQQPREISB-OLZOCXBDSA-N 2 0 337.424 -1.643 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000573460486 375093653 /nfs/dbraw/zinc/09/36/53/375093653.db2.gz YDIXVVQQPREISB-QWHCGFSZSA-N 2 0 337.424 -1.643 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000573460488 375093575 /nfs/dbraw/zinc/09/35/75/375093575.db2.gz YDIXVVQQPREISB-STQMWFEESA-N 2 0 337.424 -1.643 20 0 EAADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000573585809 375095972 /nfs/dbraw/zinc/09/59/72/375095972.db2.gz PACUBNJFFFTMGZ-CYBMUJFWSA-N 2 0 339.440 -1.618 20 0 EAADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000573585813 375095616 /nfs/dbraw/zinc/09/56/16/375095616.db2.gz PACUBNJFFFTMGZ-ZDUSSCGKSA-N 2 0 339.440 -1.618 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573625759 375095579 /nfs/dbraw/zinc/09/55/79/375095579.db2.gz FZEQQNITXKUBIH-CHWSQXEVSA-N 2 0 327.429 -1.092 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573625760 375096295 /nfs/dbraw/zinc/09/62/95/375096295.db2.gz FZEQQNITXKUBIH-OLZOCXBDSA-N 2 0 327.429 -1.092 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573625794 375096494 /nfs/dbraw/zinc/09/64/94/375096494.db2.gz FZEQQNITXKUBIH-QWHCGFSZSA-N 2 0 327.429 -1.092 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573625795 375096099 /nfs/dbraw/zinc/09/60/99/375096099.db2.gz FZEQQNITXKUBIH-STQMWFEESA-N 2 0 327.429 -1.092 20 0 EAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000573956928 375097622 /nfs/dbraw/zinc/09/76/22/375097622.db2.gz MLBAXAGKYWUIOV-CABCVRRESA-N 2 0 348.513 -1.002 20 0 EAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000573956931 375097816 /nfs/dbraw/zinc/09/78/16/375097816.db2.gz MLBAXAGKYWUIOV-GJZGRUSLSA-N 2 0 348.513 -1.002 20 0 EAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000573956932 375097735 /nfs/dbraw/zinc/09/77/35/375097735.db2.gz MLBAXAGKYWUIOV-HUUCEWRRSA-N 2 0 348.513 -1.002 20 0 EAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000573956934 375097935 /nfs/dbraw/zinc/09/79/35/375097935.db2.gz MLBAXAGKYWUIOV-LSDHHAIUSA-N 2 0 348.513 -1.002 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@H+](C)C1CC1 ZINC000574652685 375101409 /nfs/dbraw/zinc/10/14/09/375101409.db2.gz VLVKCLQGKLUWQX-KGYLQXTDSA-N 2 0 337.424 -1.644 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@H+](C)C1CC1 ZINC000574652686 375100319 /nfs/dbraw/zinc/10/03/19/375100319.db2.gz VLVKCLQGKLUWQX-RAIGVLPGSA-N 2 0 337.424 -1.644 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@H+](C)C1CC1 ZINC000574652687 375099707 /nfs/dbraw/zinc/09/97/07/375099707.db2.gz VLVKCLQGKLUWQX-RTXFEEFZSA-N 2 0 337.424 -1.644 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@H+](C)C1CC1 ZINC000574652688 375100892 /nfs/dbraw/zinc/10/08/92/375100892.db2.gz VLVKCLQGKLUWQX-WXHSDQCUSA-N 2 0 337.424 -1.644 20 0 EAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000575003836 374926612 /nfs/dbraw/zinc/92/66/12/374926612.db2.gz WQFOHKILONXQAN-NEPJUHHUSA-N 2 0 337.424 -1.643 20 0 EAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC1 ZINC000575003837 374927692 /nfs/dbraw/zinc/92/76/92/374927692.db2.gz WQFOHKILONXQAN-NWDGAFQWSA-N 2 0 337.424 -1.643 20 0 EAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC1 ZINC000575003838 374927475 /nfs/dbraw/zinc/92/74/75/374927475.db2.gz WQFOHKILONXQAN-RYUDHWBXSA-N 2 0 337.424 -1.643 20 0 EAADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000575003840 374927005 /nfs/dbraw/zinc/92/70/05/374927005.db2.gz WQFOHKILONXQAN-VXGBXAGGSA-N 2 0 337.424 -1.643 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000575138700 375103472 /nfs/dbraw/zinc/10/34/72/375103472.db2.gz JVSGGAMQMKCANP-AVGNSLFASA-N 2 0 325.413 -1.340 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000575138701 375102372 /nfs/dbraw/zinc/10/23/72/375102372.db2.gz JVSGGAMQMKCANP-RWMBFGLXSA-N 2 0 325.413 -1.340 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000575138702 375102741 /nfs/dbraw/zinc/10/27/41/375102741.db2.gz JVSGGAMQMKCANP-XQQFMLRXSA-N 2 0 325.413 -1.340 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000575138703 375102512 /nfs/dbraw/zinc/10/25/12/375102512.db2.gz JVSGGAMQMKCANP-YNEHKIRRSA-N 2 0 325.413 -1.340 20 0 EAADRP CN1CC[NH2+]C[C@H]1CNc1cc(NC[C@@H]2C[NH2+]CCN2C)ncn1 ZINC000576003298 415384763 /nfs/dbraw/zinc/38/47/63/415384763.db2.gz RVWLPMGEIAAVER-KBPBESRZSA-N 2 0 334.472 -0.892 20 0 EAADRP CN1CC[NH2+]C[C@H]1CNc1cc(NC[C@H]2C[NH2+]CCN2C)ncn1 ZINC000576003299 415381442 /nfs/dbraw/zinc/38/14/42/415381442.db2.gz RVWLPMGEIAAVER-OKILXGFUSA-N 2 0 334.472 -0.892 20 0 EAADRP CN1CC[NH2+]C[C@@H]1CNc1cc(NC[C@H]2C[NH2+]CCN2C)ncn1 ZINC000576003300 415380834 /nfs/dbraw/zinc/38/08/34/415380834.db2.gz RVWLPMGEIAAVER-ZIAGYGMSSA-N 2 0 334.472 -0.892 20 0 EAADRP COC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000576087132 375107111 /nfs/dbraw/zinc/10/71/11/375107111.db2.gz HRVPWCBLBSYXHB-AWEZNQCLSA-N 2 0 344.456 -1.188 20 0 EAADRP COC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000576087133 375107396 /nfs/dbraw/zinc/10/73/96/375107396.db2.gz HRVPWCBLBSYXHB-CQSZACIVSA-N 2 0 344.456 -1.188 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000576348318 375109952 /nfs/dbraw/zinc/10/99/52/375109952.db2.gz BMRKCSOEANOPCZ-GFCCVEGCSA-N 2 0 325.413 -2.056 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000576348324 375108809 /nfs/dbraw/zinc/10/88/09/375108809.db2.gz BMRKCSOEANOPCZ-LBPRGKRZSA-N 2 0 325.413 -2.056 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([S@@](C)=O)CC1 ZINC000576434770 375109810 /nfs/dbraw/zinc/10/98/10/375109810.db2.gz NCKHVXICJNJIJH-HSZRJFAPSA-N 2 0 346.497 -1.035 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([S@](C)=O)CC1 ZINC000576434771 375108619 /nfs/dbraw/zinc/10/86/19/375108619.db2.gz NCKHVXICJNJIJH-QHCPKHFHSA-N 2 0 346.497 -1.035 20 0 EAADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000576465101 375111315 /nfs/dbraw/zinc/11/13/15/375111315.db2.gz CLSNMLAEWFIEGN-AVGNSLFASA-N 2 0 341.456 -1.068 20 0 EAADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000576465102 375111767 /nfs/dbraw/zinc/11/17/67/375111767.db2.gz CLSNMLAEWFIEGN-RWMBFGLXSA-N 2 0 341.456 -1.068 20 0 EAADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000576465103 375111059 /nfs/dbraw/zinc/11/10/59/375111059.db2.gz CLSNMLAEWFIEGN-XQQFMLRXSA-N 2 0 341.456 -1.068 20 0 EAADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000576465104 375110908 /nfs/dbraw/zinc/11/09/08/375110908.db2.gz CLSNMLAEWFIEGN-YNEHKIRRSA-N 2 0 341.456 -1.068 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000576611872 375111583 /nfs/dbraw/zinc/11/15/83/375111583.db2.gz GTNZQRZRNTZEIV-UHFFFAOYSA-N 3 0 328.461 -1.447 20 0 EAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000576701783 375111669 /nfs/dbraw/zinc/11/16/69/375111669.db2.gz CQDKOMJXCHLIKW-JTQLQIEISA-N 2 0 336.400 -1.589 20 0 EAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000576701784 375111641 /nfs/dbraw/zinc/11/16/41/375111641.db2.gz CQDKOMJXCHLIKW-SNVBAGLBSA-N 2 0 336.400 -1.589 20 0 EAADRP C[NH+]1CCN(c2cc(C(=O)NCC(=O)N3CC[NH2+]CC3)ccn2)CC1 ZINC000576706584 375111006 /nfs/dbraw/zinc/11/10/06/375111006.db2.gz RANPYRJNHAXWBE-UHFFFAOYSA-N 2 0 346.435 -1.005 20 0 EAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576733035 375113950 /nfs/dbraw/zinc/11/39/50/375113950.db2.gz ZLGVSCGFRVDEMK-KBPBESRZSA-N 2 0 341.456 -1.685 20 0 EAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576733037 375113047 /nfs/dbraw/zinc/11/30/47/375113047.db2.gz ZLGVSCGFRVDEMK-KGLIPLIRSA-N 2 0 341.456 -1.685 20 0 EAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576733039 375113855 /nfs/dbraw/zinc/11/38/55/375113855.db2.gz ZLGVSCGFRVDEMK-UONOGXRCSA-N 2 0 341.456 -1.685 20 0 EAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576733040 375114338 /nfs/dbraw/zinc/11/43/38/375114338.db2.gz ZLGVSCGFRVDEMK-ZIAGYGMSSA-N 2 0 341.456 -1.685 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576958775 375113678 /nfs/dbraw/zinc/11/36/78/375113678.db2.gz PGZAGUWRNLTFJD-NEPJUHHUSA-N 2 0 341.412 -2.549 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576958776 375114375 /nfs/dbraw/zinc/11/43/75/375114375.db2.gz PGZAGUWRNLTFJD-NWDGAFQWSA-N 2 0 341.412 -2.549 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576958777 375113877 /nfs/dbraw/zinc/11/38/77/375113877.db2.gz PGZAGUWRNLTFJD-RYUDHWBXSA-N 2 0 341.412 -2.549 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576958778 375113202 /nfs/dbraw/zinc/11/32/02/375113202.db2.gz PGZAGUWRNLTFJD-VXGBXAGGSA-N 2 0 341.412 -2.549 20 0 EAADRP COCC1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]CC1 ZINC000576959132 375113367 /nfs/dbraw/zinc/11/33/67/375113367.db2.gz WPUZKWXSUSQTDI-CHWSQXEVSA-N 2 0 339.440 -1.044 20 0 EAADRP COCC1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]CC1 ZINC000576959133 375113838 /nfs/dbraw/zinc/11/38/38/375113838.db2.gz WPUZKWXSUSQTDI-OLZOCXBDSA-N 2 0 339.440 -1.044 20 0 EAADRP COCC1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]CC1 ZINC000576959134 375114625 /nfs/dbraw/zinc/11/46/25/375114625.db2.gz WPUZKWXSUSQTDI-QWHCGFSZSA-N 2 0 339.440 -1.044 20 0 EAADRP COCC1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH2+]CC1 ZINC000576959135 375114083 /nfs/dbraw/zinc/11/40/83/375114083.db2.gz WPUZKWXSUSQTDI-STQMWFEESA-N 2 0 339.440 -1.044 20 0 EAADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577232372 375117758 /nfs/dbraw/zinc/11/77/58/375117758.db2.gz BDSNINORMVMLRW-KBPBESRZSA-N 2 0 325.457 -1.146 20 0 EAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577232373 375118645 /nfs/dbraw/zinc/11/86/45/375118645.db2.gz BDSNINORMVMLRW-KGLIPLIRSA-N 2 0 325.457 -1.146 20 0 EAADRP CC1CC[NH+](CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000577356853 375118525 /nfs/dbraw/zinc/11/85/25/375118525.db2.gz XHSBIEVWKGVTKX-UHFFFAOYSA-N 2 0 339.440 -1.618 20 0 EAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000577636621 375120777 /nfs/dbraw/zinc/12/07/77/375120777.db2.gz XVLNDMKHLCTHLO-DOMZBBRYSA-N 2 0 341.456 -1.068 20 0 EAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000577636622 375120065 /nfs/dbraw/zinc/12/00/65/375120065.db2.gz XVLNDMKHLCTHLO-WFASDCNBSA-N 2 0 341.456 -1.068 20 0 EAADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000577833253 375122173 /nfs/dbraw/zinc/12/21/73/375122173.db2.gz INGLAUKNLLTSHM-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000578013335 375123651 /nfs/dbraw/zinc/12/36/51/375123651.db2.gz NHNIDRYSTUVWNB-UHFFFAOYSA-N 2 0 334.424 -1.148 20 0 EAADRP COc1cncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000578075117 414900809 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CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595983419 374486867 /nfs/dbraw/zinc/48/68/67/374486867.db2.gz DKACSQHSLPQJTK-STQMWFEESA-N 2 0 337.424 -1.689 20 0 EAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595983728 374487196 /nfs/dbraw/zinc/48/71/96/374487196.db2.gz RATOAUJGYWQIGO-AVGNSLFASA-N 2 0 337.424 -1.691 20 0 EAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595983730 374486710 /nfs/dbraw/zinc/48/67/10/374486710.db2.gz RATOAUJGYWQIGO-RWMBFGLXSA-N 2 0 337.424 -1.691 20 0 EAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595983732 374486539 /nfs/dbraw/zinc/48/65/39/374486539.db2.gz RATOAUJGYWQIGO-XQQFMLRXSA-N 2 0 337.424 -1.691 20 0 EAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595983734 374487384 /nfs/dbraw/zinc/48/73/84/374487384.db2.gz RATOAUJGYWQIGO-YNEHKIRRSA-N 2 0 337.424 -1.691 20 0 EAADRP 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C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)[C@@H]2C1 ZINC000595990377 374489220 /nfs/dbraw/zinc/48/92/20/374489220.db2.gz QHRJCANYXJAOGG-AAVRWANBSA-N 2 0 349.435 -1.691 20 0 EAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)[C@H]2C1 ZINC000595990378 374490128 /nfs/dbraw/zinc/49/01/28/374490128.db2.gz QHRJCANYXJAOGG-RQJABVFESA-N 2 0 349.435 -1.691 20 0 EAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)[C@H]2C1 ZINC000595990379 374489674 /nfs/dbraw/zinc/48/96/74/374489674.db2.gz QHRJCANYXJAOGG-SYQHCUMBSA-N 2 0 349.435 -1.691 20 0 EAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)[C@@H]2C1 ZINC000595990380 374489855 /nfs/dbraw/zinc/48/98/55/374489855.db2.gz QHRJCANYXJAOGG-XJFOESAGSA-N 2 0 349.435 -1.691 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1[NH+](C)C ZINC000595991218 374489273 /nfs/dbraw/zinc/48/92/73/374489273.db2.gz MFTUUMRCVMWTMJ-FDYHWXHSSA-N 2 0 337.424 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349.435 -1.548 20 0 EAADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595991507 374489036 /nfs/dbraw/zinc/48/90/36/374489036.db2.gz NHQHTEGZLIKCLV-SYQHCUMBSA-N 2 0 349.435 -1.548 20 0 EAADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595991509 374489199 /nfs/dbraw/zinc/48/91/99/374489199.db2.gz NHQHTEGZLIKCLV-YIYPIFLZSA-N 2 0 349.435 -1.548 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)CCN2C1=O ZINC000595991750 374489596 /nfs/dbraw/zinc/48/95/96/374489596.db2.gz HIPHLJCFGGMNAK-BFHYXJOUSA-N 2 0 347.419 -1.771 20 0 EAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)CCN2C1=O ZINC000595991751 374489535 /nfs/dbraw/zinc/48/95/35/374489535.db2.gz HIPHLJCFGGMNAK-HZSPNIEDSA-N 2 0 347.419 -1.771 20 0 EAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)CCN2C1=O ZINC000595991752 374488605 /nfs/dbraw/zinc/48/86/05/374488605.db2.gz HIPHLJCFGGMNAK-MELADBBJSA-N 2 0 347.419 -1.771 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)CCN2C1=O ZINC000595991753 374488515 /nfs/dbraw/zinc/48/85/15/374488515.db2.gz HIPHLJCFGGMNAK-MGPQQGTHSA-N 2 0 347.419 -1.771 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595994654 374489993 /nfs/dbraw/zinc/48/99/93/374489993.db2.gz UKTSCGOWGVPZTK-BFHYXJOUSA-N 2 0 349.435 -1.547 20 0 EAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595994656 374490166 /nfs/dbraw/zinc/49/01/66/374490166.db2.gz UKTSCGOWGVPZTK-HZSPNIEDSA-N 2 0 349.435 -1.547 20 0 EAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595994657 374488978 /nfs/dbraw/zinc/48/89/78/374488978.db2.gz UKTSCGOWGVPZTK-MELADBBJSA-N 2 0 349.435 -1.547 20 0 EAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595994659 374489408 /nfs/dbraw/zinc/48/94/08/374489408.db2.gz UKTSCGOWGVPZTK-MGPQQGTHSA-N 2 0 349.435 -1.547 20 0 EAADRP CN(C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595994682 374488841 /nfs/dbraw/zinc/48/88/41/374488841.db2.gz URAVQFXBJXXJOU-BFHYXJOUSA-N 2 0 349.435 -1.548 20 0 EAADRP CN(C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000595994684 374489281 /nfs/dbraw/zinc/48/92/81/374489281.db2.gz URAVQFXBJXXJOU-HZSPNIEDSA-N 2 0 349.435 -1.548 20 0 EAADRP CN(C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595994687 374489254 /nfs/dbraw/zinc/48/92/54/374489254.db2.gz URAVQFXBJXXJOU-MELADBBJSA-N 2 0 349.435 -1.548 20 0 EAADRP CN(C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000595994689 374489451 /nfs/dbraw/zinc/48/94/51/374489451.db2.gz URAVQFXBJXXJOU-MGPQQGTHSA-N 2 0 349.435 -1.548 20 0 EAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595996860 374491660 /nfs/dbraw/zinc/49/16/60/374491660.db2.gz YCLYAFGISXJJNU-AGIUHOORSA-N 2 0 337.424 -1.691 20 0 EAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595996863 374491909 /nfs/dbraw/zinc/49/19/09/374491909.db2.gz YCLYAFGISXJJNU-FRRDWIJNSA-N 2 0 337.424 -1.691 20 0 EAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595996866 374491111 /nfs/dbraw/zinc/49/11/11/374491111.db2.gz YCLYAFGISXJJNU-JHJVBQTASA-N 2 0 337.424 -1.691 20 0 EAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595996868 374491516 /nfs/dbraw/zinc/49/15/16/374491516.db2.gz YCLYAFGISXJJNU-UPJWGTAASA-N 2 0 337.424 -1.691 20 0 EAADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)C1 ZINC000595996960 374492024 /nfs/dbraw/zinc/49/20/24/374492024.db2.gz IZLIHNZPKRUBAO-AHIWAGSCSA-N 2 0 349.435 -1.689 20 0 EAADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)C1 ZINC000595996962 374490932 /nfs/dbraw/zinc/49/09/32/374490932.db2.gz IZLIHNZPKRUBAO-DCGLDWPTSA-N 2 0 349.435 -1.689 20 0 EAADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)C1 ZINC000595996964 374492187 /nfs/dbraw/zinc/49/21/87/374492187.db2.gz IZLIHNZPKRUBAO-IGCXYCKISA-N 2 0 349.435 -1.689 20 0 EAADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)C1 ZINC000595996967 374492096 /nfs/dbraw/zinc/49/20/96/374492096.db2.gz IZLIHNZPKRUBAO-XNJGSVPQSA-N 2 0 349.435 -1.689 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596000698 374483169 /nfs/dbraw/zinc/48/31/69/374483169.db2.gz NNMUJTMZZYOBPM-LPWJVIDDSA-N 2 0 335.408 -2.081 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596000699 374483291 /nfs/dbraw/zinc/48/32/91/374483291.db2.gz NNMUJTMZZYOBPM-NDBYEHHHSA-N 2 0 335.408 -2.081 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C[C@@H]21 ZINC000596000701 374483505 /nfs/dbraw/zinc/48/35/05/374483505.db2.gz NNMUJTMZZYOBPM-VOAKCMCISA-N 2 0 335.408 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COCCOCC[N@H+](C)CCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602528769 374534960 /nfs/dbraw/zinc/53/49/60/374534960.db2.gz UIIUMFZXHCGFDD-KBPBESRZSA-N 2 0 342.440 -1.258 20 0 EAADRP COCCOCC[N@H+](C)CCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602529775 374533983 /nfs/dbraw/zinc/53/39/83/374533983.db2.gz UIIUMFZXHCGFDD-KGLIPLIRSA-N 2 0 342.440 -1.258 20 0 EAADRP COCCOCC[N@H+](C)CCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602529776 374534045 /nfs/dbraw/zinc/53/40/45/374534045.db2.gz UIIUMFZXHCGFDD-UONOGXRCSA-N 2 0 342.440 -1.258 20 0 EAADRP COCCOCC[N@H+](C)CCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602529777 374535005 /nfs/dbraw/zinc/53/50/05/374535005.db2.gz UIIUMFZXHCGFDD-ZIAGYGMSSA-N 2 0 342.440 -1.258 20 0 EAADRP C[NH+](C)C[C@H](CO)NC(=O)C1(C(=O)N[C@H](CO)C[NH+](C)C)CCC1 ZINC000614850068 375009574 /nfs/dbraw/zinc/00/95/74/375009574.db2.gz RKRPENBVWKSUIO-BETUJISGSA-N 2 0 344.456 -1.766 20 0 EAADRP C[NH+](C)C[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C[NH+](C)C)CCC1 ZINC000614850069 375010152 /nfs/dbraw/zinc/01/01/52/375010152.db2.gz RKRPENBVWKSUIO-CHWSQXEVSA-N 2 0 344.456 -1.766 20 0 EAADRP C[NH+](C)C[C@@H](CO)NC(=O)C1(C(=O)N[C@H](CO)C[NH+](C)C)CCC1 ZINC000614850070 375009849 /nfs/dbraw/zinc/00/98/49/375009849.db2.gz RKRPENBVWKSUIO-STQMWFEESA-N 2 0 344.456 -1.766 20 0 EAADRP C[C@@H]1[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614859789 375012297 /nfs/dbraw/zinc/01/22/97/375012297.db2.gz RVQFLNQWECAFSP-HPCHECBXSA-N 2 0 344.456 -2.054 20 0 EAADRP CC1[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614859791 375011517 /nfs/dbraw/zinc/01/15/17/375011517.db2.gz RVQFLNQWECAFSP-MQYQWHSLSA-N 2 0 344.456 -2.054 20 0 EAADRP CC1[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614859792 375012560 /nfs/dbraw/zinc/01/25/60/375012560.db2.gz RVQFLNQWECAFSP-XUXIUFHCSA-N 2 0 344.456 -2.054 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000618306913 375173260 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CN1CCN(C(=O)CCNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626934399 374891003 /nfs/dbraw/zinc/89/10/03/374891003.db2.gz YNFVWDNEOBHARM-UHFFFAOYSA-N 2 0 327.429 -1.042 20 0 EAADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979636 374979110 /nfs/dbraw/zinc/97/91/10/374979110.db2.gz GEUQEAPZLIVHMA-HNNXBMFYSA-N 2 0 343.472 -1.072 20 0 EAADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979637 374979019 /nfs/dbraw/zinc/97/90/19/374979019.db2.gz GEUQEAPZLIVHMA-OAHLLOKOSA-N 2 0 343.472 -1.072 20 0 EAADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626981073 374979042 /nfs/dbraw/zinc/97/90/42/374979042.db2.gz YIDGJRZZODRBSB-CABCVRRESA-N 2 0 341.456 -1.320 20 0 EAADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626981076 374977969 /nfs/dbraw/zinc/97/79/69/374977969.db2.gz YIDGJRZZODRBSB-GJZGRUSLSA-N 2 0 341.456 -1.320 20 0 EAADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626981078 374979334 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[NH3+]CCCOCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627219868 374990498 /nfs/dbraw/zinc/99/04/98/374990498.db2.gz FOHKFTHFFMCERW-UHFFFAOYSA-N 2 0 342.444 -1.296 20 0 EAADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000627290041 375170056 /nfs/dbraw/zinc/17/00/56/375170056.db2.gz BVADITPMJLNRIJ-GFCCVEGCSA-N 2 0 328.413 -1.682 20 0 EAADRP CC(C)(CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000627290042 375171408 /nfs/dbraw/zinc/17/14/08/375171408.db2.gz BVADITPMJLNRIJ-LBPRGKRZSA-N 2 0 328.413 -1.682 20 0 EAADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCCO1 ZINC000627296427 375172546 /nfs/dbraw/zinc/17/25/46/375172546.db2.gz GZVJKXYUWOYYOP-KBPBESRZSA-N 2 0 342.440 -1.292 20 0 EAADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCCO1 ZINC000627296428 375172461 /nfs/dbraw/zinc/17/24/61/375172461.db2.gz GZVJKXYUWOYYOP-KGLIPLIRSA-N 2 0 342.440 -1.292 20 0 EAADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCCO1 ZINC000627296429 375173151 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COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627367467 375202388 /nfs/dbraw/zinc/20/23/88/375202388.db2.gz VAZHFCURMKXHLA-OLZOCXBDSA-N 2 0 328.413 -1.682 20 0 EAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627367468 375201896 /nfs/dbraw/zinc/20/18/96/375201896.db2.gz VAZHFCURMKXHLA-QWHCGFSZSA-N 2 0 328.413 -1.682 20 0 EAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627367469 375201475 /nfs/dbraw/zinc/20/14/75/375201475.db2.gz VAZHFCURMKXHLA-STQMWFEESA-N 2 0 328.413 -1.682 20 0 EAADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000627370583 375201714 /nfs/dbraw/zinc/20/17/14/375201714.db2.gz FFYHBVQCPJUQQP-AWEZNQCLSA-N 2 0 332.470 -1.108 20 0 EAADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000627370584 375202756 /nfs/dbraw/zinc/20/27/56/375202756.db2.gz FFYHBVQCPJUQQP-CQSZACIVSA-N 2 0 332.470 -1.108 20 0 EAADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCSC1 ZINC000627370796 375201815 /nfs/dbraw/zinc/20/18/15/375201815.db2.gz MWRMEUVYELRMDS-BXUZGUMPSA-N 2 0 330.454 -1.356 20 0 EAADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCSC1 ZINC000627370797 375201608 /nfs/dbraw/zinc/20/16/08/375201608.db2.gz MWRMEUVYELRMDS-FZMZJTMJSA-N 2 0 330.454 -1.356 20 0 EAADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCSC1 ZINC000627370798 375202563 /nfs/dbraw/zinc/20/25/63/375202563.db2.gz MWRMEUVYELRMDS-RISCZKNCSA-N 2 0 330.454 -1.356 20 0 EAADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCSC1 ZINC000627370799 375202368 /nfs/dbraw/zinc/20/23/68/375202368.db2.gz MWRMEUVYELRMDS-SMDDNHRTSA-N 2 0 330.454 -1.356 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000627370922 375202244 /nfs/dbraw/zinc/20/22/44/375202244.db2.gz QQPPJBATSNZCOZ-AWEZNQCLSA-N 2 0 332.470 -1.026 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000627370923 375202146 /nfs/dbraw/zinc/20/21/46/375202146.db2.gz QQPPJBATSNZCOZ-CQSZACIVSA-N 2 0 332.470 -1.026 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627384454 374561929 /nfs/dbraw/zinc/56/19/29/374561929.db2.gz FZVMQEMRXUFLBU-UHFFFAOYSA-N 2 0 330.429 -1.305 20 0 EAADRP C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H](C)N1CCOCC1 ZINC000627385844 374827073 /nfs/dbraw/zinc/82/70/73/374827073.db2.gz YSYXGZJUDVYJGO-AVGNSLFASA-N 2 0 328.413 -1.684 20 0 EAADRP C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H](C)N1CCOCC1 ZINC000627385845 374827468 /nfs/dbraw/zinc/82/74/68/374827468.db2.gz YSYXGZJUDVYJGO-RWMBFGLXSA-N 2 0 328.413 -1.684 20 0 EAADRP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000627385846 374827098 /nfs/dbraw/zinc/82/70/98/374827098.db2.gz YSYXGZJUDVYJGO-XQQFMLRXSA-N 2 0 328.413 -1.684 20 0 EAADRP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000627385847 374828097 /nfs/dbraw/zinc/82/80/97/374828097.db2.gz YSYXGZJUDVYJGO-YNEHKIRRSA-N 2 0 328.413 -1.684 20 0 EAADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627398024 375203974 /nfs/dbraw/zinc/20/39/74/375203974.db2.gz BDSNINORMVMLRW-UONOGXRCSA-N 2 0 325.457 -1.146 20 0 EAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627398025 375204317 /nfs/dbraw/zinc/20/43/17/375204317.db2.gz BDSNINORMVMLRW-ZIAGYGMSSA-N 2 0 325.457 -1.146 20 0 EAADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCN(C)CC1 ZINC000627398358 375203426 /nfs/dbraw/zinc/20/34/26/375203426.db2.gz LIUBYLVZBMPDHF-HZSPNIEDSA-N 2 0 325.457 -1.147 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCN(C)CC1 ZINC000627398359 375203844 /nfs/dbraw/zinc/20/38/44/375203844.db2.gz LIUBYLVZBMPDHF-MELADBBJSA-N 2 0 325.457 -1.147 20 0 EAADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627405104 374611472 /nfs/dbraw/zinc/61/14/72/374611472.db2.gz UZXFEGLRDMRFQW-AWEZNQCLSA-N 2 0 335.408 -1.266 20 0 EAADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627405105 374611232 /nfs/dbraw/zinc/61/12/32/374611232.db2.gz UZXFEGLRDMRFQW-CQSZACIVSA-N 2 0 335.408 -1.266 20 0 EAADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627405185 374611319 /nfs/dbraw/zinc/61/13/19/374611319.db2.gz WSDUTTKXMNUNMO-GXTWGEPZSA-N 2 0 335.408 -1.138 20 0 EAADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627405186 374611206 /nfs/dbraw/zinc/61/12/06/374611206.db2.gz WSDUTTKXMNUNMO-JSGCOSHPSA-N 2 0 335.408 -1.138 20 0 EAADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627405187 374611857 /nfs/dbraw/zinc/61/18/57/374611857.db2.gz WSDUTTKXMNUNMO-OCCSQVGLSA-N 2 0 335.408 -1.138 20 0 EAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454869 375209365 /nfs/dbraw/zinc/20/93/65/375209365.db2.gz CIAORMLCPLEUCD-UHFFFAOYSA-N 2 0 330.429 -1.353 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455187 375208706 /nfs/dbraw/zinc/20/87/06/375208706.db2.gz NWWAZCLIQCMWOC-UHFFFAOYSA-N 3 0 343.472 -1.438 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469902 375210613 /nfs/dbraw/zinc/21/06/13/375210613.db2.gz HNYYAKVZKMLQAM-CYBMUJFWSA-N 3 0 329.445 -1.957 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469903 375210877 /nfs/dbraw/zinc/21/08/77/375210877.db2.gz HNYYAKVZKMLQAM-ZDUSSCGKSA-N 3 0 329.445 -1.957 20 0 EAADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000627473090 375212702 /nfs/dbraw/zinc/21/27/02/375212702.db2.gz GYKVLMJLPPAQIF-HZSPNIEDSA-N 2 0 342.440 -1.294 20 0 EAADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000627473091 375212280 /nfs/dbraw/zinc/21/22/80/375212280.db2.gz GYKVLMJLPPAQIF-MCIONIFRSA-N 2 0 342.440 -1.294 20 0 EAADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000627473092 375212603 /nfs/dbraw/zinc/21/26/03/375212603.db2.gz GYKVLMJLPPAQIF-MGPQQGTHSA-N 2 0 342.440 -1.294 20 0 EAADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000627473093 375214417 /nfs/dbraw/zinc/21/44/17/375214417.db2.gz GYKVLMJLPPAQIF-MJBXVCDLSA-N 2 0 342.440 -1.294 20 0 EAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627474630 375214342 /nfs/dbraw/zinc/21/43/42/375214342.db2.gz UDKCHNPCFSCZBO-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627474631 374602867 /nfs/dbraw/zinc/60/28/67/374602867.db2.gz UDKCHNPCFSCZBO-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627474632 374602150 /nfs/dbraw/zinc/60/21/50/374602150.db2.gz UDKCHNPCFSCZBO-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627474633 374603301 /nfs/dbraw/zinc/60/33/01/374603301.db2.gz UDKCHNPCFSCZBO-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC000627474918 375212485 /nfs/dbraw/zinc/21/24/85/375212485.db2.gz AYUDZFVAMNBMMJ-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC000627474919 375216282 /nfs/dbraw/zinc/21/62/82/375216282.db2.gz AYUDZFVAMNBMMJ-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC000627474920 375215965 /nfs/dbraw/zinc/21/59/65/375215965.db2.gz AYUDZFVAMNBMMJ-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC000627474921 375215345 /nfs/dbraw/zinc/21/53/45/375215345.db2.gz AYUDZFVAMNBMMJ-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000627475245 375216421 /nfs/dbraw/zinc/21/64/21/375216421.db2.gz ILTISAGORWFACB-CYBMUJFWSA-N 2 0 333.392 -1.165 20 0 EAADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000627475246 375215781 /nfs/dbraw/zinc/21/57/81/375215781.db2.gz ILTISAGORWFACB-ZDUSSCGKSA-N 2 0 333.392 -1.165 20 0 EAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000627498647 375220079 /nfs/dbraw/zinc/22/00/79/375220079.db2.gz GSDCMDUSEAEGAK-UONOGXRCSA-N 2 0 325.457 -1.051 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505323 375220304 /nfs/dbraw/zinc/22/03/04/375220304.db2.gz IKNJPPBZMRJDTG-CHWSQXEVSA-N 2 0 337.424 -1.771 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505324 375219387 /nfs/dbraw/zinc/21/93/87/375219387.db2.gz IKNJPPBZMRJDTG-OLZOCXBDSA-N 2 0 337.424 -1.771 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505704 374801660 /nfs/dbraw/zinc/80/16/60/374801660.db2.gz ZXEBPPPGBQLNHN-CYBMUJFWSA-N 2 0 337.424 -1.769 20 0 EAADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507288 375219456 /nfs/dbraw/zinc/21/94/56/375219456.db2.gz LBBYFLQQACGRMT-CYBMUJFWSA-N 2 0 325.457 -1.051 20 0 EAADRP C[NH2+]CCOCC[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000629570618 374931770 /nfs/dbraw/zinc/93/17/70/374931770.db2.gz FCJCZFQUXBUCRL-UHFFFAOYSA-N 2 0 338.412 -1.399 20 0 EAADRP Cn1cnc2c1c(=O)n(CCC[N@H+](C)CCOCC[NH3+])c(=O)n2C ZINC000629578202 374933537 /nfs/dbraw/zinc/93/35/37/374933537.db2.gz OKROSZUBMUTJRT-UHFFFAOYSA-N 2 0 338.412 -1.269 20 0 EAADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000629796205 374938799 /nfs/dbraw/zinc/93/87/99/374938799.db2.gz PGUKGXKCLBRFKO-UHFFFAOYSA-N 2 0 341.456 -1.194 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000629796906 374940877 /nfs/dbraw/zinc/94/08/77/374940877.db2.gz LNPIOEOBNXRERM-AWEZNQCLSA-N 2 0 342.440 -1.257 20 0 EAADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000629797597 374938483 /nfs/dbraw/zinc/93/84/83/374938483.db2.gz YUAHTUJDNGVJGS-UHFFFAOYSA-N 2 0 339.440 -1.440 20 0 EAADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000629801145 374938328 /nfs/dbraw/zinc/93/83/28/374938328.db2.gz HSGADCUMTLVNAJ-CYBMUJFWSA-N 2 0 339.440 -1.441 20 0 EAADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000629801146 374938664 /nfs/dbraw/zinc/93/86/64/374938664.db2.gz HSGADCUMTLVNAJ-ZDUSSCGKSA-N 2 0 339.440 -1.441 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CCN1CC(C)(C)O ZINC000629802270 374940226 /nfs/dbraw/zinc/94/02/26/374940226.db2.gz SVLYTHUINBVRTP-CYBMUJFWSA-N 2 0 344.456 -1.276 20 0 EAADRP C[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CCN1CC(C)(C)O ZINC000629802271 374940127 /nfs/dbraw/zinc/94/01/27/374940127.db2.gz SVLYTHUINBVRTP-ZDUSSCGKSA-N 2 0 344.456 -1.276 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000629802957 374941093 /nfs/dbraw/zinc/94/10/93/374941093.db2.gz XSAWTMBVWQBGDJ-AWEZNQCLSA-N 2 0 344.456 -1.140 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000629802958 374940245 /nfs/dbraw/zinc/94/02/45/374940245.db2.gz XSAWTMBVWQBGDJ-CQSZACIVSA-N 2 0 344.456 -1.140 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000629802993 374941073 /nfs/dbraw/zinc/94/10/73/374941073.db2.gz YBQFMKCCYFDCNS-AWEZNQCLSA-N 2 0 342.440 -1.399 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000629802995 374940784 /nfs/dbraw/zinc/94/07/84/374940784.db2.gz YBQFMKCCYFDCNS-CQSZACIVSA-N 2 0 342.440 -1.399 20 0 EAADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(COC)COC)CC1 ZINC000629803205 374940399 /nfs/dbraw/zinc/94/03/99/374940399.db2.gz LQWGAEZWQPOKOE-UHFFFAOYSA-N 2 0 330.429 -1.401 20 0 EAADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629803521 374940512 /nfs/dbraw/zinc/94/05/12/374940512.db2.gz SDNTZXUVEAQNCC-CYBMUJFWSA-N 2 0 344.456 -1.276 20 0 EAADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629803522 374940212 /nfs/dbraw/zinc/94/02/12/374940212.db2.gz SDNTZXUVEAQNCC-ZDUSSCGKSA-N 2 0 344.456 -1.276 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000629805000 374942902 /nfs/dbraw/zinc/94/29/02/374942902.db2.gz IBMTXXOEUWRIIM-QWHCGFSZSA-N 2 0 328.413 -2.042 20 0 EAADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000629806218 374943999 /nfs/dbraw/zinc/94/39/99/374943999.db2.gz SNEBMRCSRBFRIS-UWWPHRKUSA-N 2 0 336.436 -1.278 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000629808245 374944070 /nfs/dbraw/zinc/94/40/70/374944070.db2.gz YQVORSZEKLTIMJ-AWEZNQCLSA-N 2 0 344.456 -1.011 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000629808246 374943493 /nfs/dbraw/zinc/94/34/93/374943493.db2.gz YQVORSZEKLTIMJ-CQSZACIVSA-N 2 0 344.456 -1.011 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000629816583 374945609 /nfs/dbraw/zinc/94/56/09/374945609.db2.gz NLOWVBKXGXQPGJ-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000629816834 374945678 /nfs/dbraw/zinc/94/56/78/374945678.db2.gz XYXPGLFKSMRAGO-KBPBESRZSA-N 2 0 326.441 -1.032 20 0 EAADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000629816837 374944797 /nfs/dbraw/zinc/94/47/97/374944797.db2.gz XYXPGLFKSMRAGO-UONOGXRCSA-N 2 0 326.441 -1.032 20 0 EAADRP C[NH+](C)CCCn1cc(CNS(=O)(=O)N2CC[NH2+]CC2)nn1 ZINC000630585166 375023552 /nfs/dbraw/zinc/02/35/52/375023552.db2.gz JCTXBFZYEBRFSF-UHFFFAOYSA-N 2 0 331.446 -1.531 20 0 EAADRP CC[NH+](CC)CCn1cc(CNS(=O)(=O)N2CC[NH2+]CC2)nn1 ZINC000630585381 375023088 /nfs/dbraw/zinc/02/30/88/375023088.db2.gz CEZHLAMGTYJKNJ-UHFFFAOYSA-N 2 0 345.473 -1.141 20 0 EAADRP O=S(=O)(NCc1cn(CC[NH+]2CCCC2)nn1)N1CC[NH2+]CC1 ZINC000630617688 375023163 /nfs/dbraw/zinc/02/31/63/375023163.db2.gz FHLGRRBEDLEEPT-UHFFFAOYSA-N 2 0 343.457 -1.387 20 0 EAADRP C[NH+]1CCN(CCCS(=O)(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000631900453 374958847 /nfs/dbraw/zinc/95/88/47/374958847.db2.gz UBQLCYSEYOOYSA-UHFFFAOYSA-N 2 0 347.529 -1.161 20 0 EAADRP C[NH+]1CCN(CCCS(=O)(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000631901461 375231085 /nfs/dbraw/zinc/23/10/85/375231085.db2.gz DEGODQJXSUBGMT-UHFFFAOYSA-N 2 0 333.502 -1.552 20 0 EAADRP CN(CCN1CC[NH2+]CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631903877 375230849 /nfs/dbraw/zinc/23/08/49/375230849.db2.gz 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CC[N@H+](CCO)CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632226102 375236896 /nfs/dbraw/zinc/23/68/96/375236896.db2.gz JHWIWGXTHOSFEF-UHFFFAOYSA-N 2 0 336.502 -1.143 20 0 EAADRP C[NH+](C)[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1O ZINC000632350278 375236868 /nfs/dbraw/zinc/23/68/68/375236868.db2.gz FRWWRDHTZNABAM-KBPBESRZSA-N 2 0 334.486 -1.440 20 0 EAADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000632538509 375239192 /nfs/dbraw/zinc/23/91/92/375239192.db2.gz NZRFFXQBSFEYRN-LSDHHAIUSA-N 2 0 346.497 -1.296 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000633086925 375245318 /nfs/dbraw/zinc/24/53/18/375245318.db2.gz BSWSXTNEMSGRER-ZIAGYGMSSA-N 3 0 327.473 -1.009 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086992 375245850 /nfs/dbraw/zinc/24/58/50/375245850.db2.gz DHAYCBPOYHEEPI-OKILXGFUSA-N 3 0 325.457 -1.099 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 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/nfs/dbraw/zinc/63/90/47/374639047.db2.gz NIUBVSVAGVDCLL-OAHLLOKOSA-N 2 0 325.457 -1.586 20 0 EAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2CC[NH2+]CC2)cn1 ZINC000638122768 374639080 /nfs/dbraw/zinc/63/90/80/374639080.db2.gz LCSPYBPBCBNNGM-UHFFFAOYSA-N 2 0 337.428 -1.595 20 0 EAADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)CCO2)CC1 ZINC000638139464 374641003 /nfs/dbraw/zinc/64/10/03/374641003.db2.gz FASNAJMSUXPBBY-GDBMZVCRSA-N 2 0 326.441 -1.160 20 0 EAADRP C[NH+]1CCN(C[C@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)CCO2)CC1 ZINC000638139466 374640823 /nfs/dbraw/zinc/64/08/23/374640823.db2.gz FASNAJMSUXPBBY-GOEBONIOSA-N 2 0 326.441 -1.160 20 0 EAADRP C[NH+]1CCN(C[C@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)CCO2)CC1 ZINC000638139467 374640903 /nfs/dbraw/zinc/64/09/03/374640903.db2.gz FASNAJMSUXPBBY-HOCLYGCPSA-N 2 0 326.441 -1.160 20 0 EAADRP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)CCO2)CC1 ZINC000638139468 374641081 /nfs/dbraw/zinc/64/10/81/374641081.db2.gz FASNAJMSUXPBBY-ZBFHGGJFSA-N 2 0 326.441 -1.160 20 0 EAADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638150625 374641183 /nfs/dbraw/zinc/64/11/83/374641183.db2.gz YKXIIGATCHXLEB-CABCVRRESA-N 2 0 337.468 -1.002 20 0 EAADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638150626 374641097 /nfs/dbraw/zinc/64/10/97/374641097.db2.gz YKXIIGATCHXLEB-GJZGRUSLSA-N 2 0 337.468 -1.002 20 0 EAADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638150627 374640656 /nfs/dbraw/zinc/64/06/56/374640656.db2.gz YKXIIGATCHXLEB-HUUCEWRRSA-N 2 0 337.468 -1.002 20 0 EAADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638150628 374640309 /nfs/dbraw/zinc/64/03/09/374640309.db2.gz YKXIIGATCHXLEB-LSDHHAIUSA-N 2 0 337.468 -1.002 20 0 EAADRP COC1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC000638475761 374649472 /nfs/dbraw/zinc/64/94/72/374649472.db2.gz CSLODBLKCPJNGQ-UHFFFAOYSA-N 2 0 339.440 -1.076 20 0 EAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638477215 374648477 /nfs/dbraw/zinc/64/84/77/374648477.db2.gz KKUFXHPPQBVMDA-CYBMUJFWSA-N 2 0 325.413 -1.466 20 0 EAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638477216 374648030 /nfs/dbraw/zinc/64/80/30/374648030.db2.gz KKUFXHPPQBVMDA-ZDUSSCGKSA-N 2 0 325.413 -1.466 20 0 EAADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638477637 374649905 /nfs/dbraw/zinc/64/99/05/374649905.db2.gz PNLDZEYUWPKOJS-AWEZNQCLSA-N 2 0 339.440 -1.076 20 0 EAADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638477638 374649511 /nfs/dbraw/zinc/64/95/11/374649511.db2.gz PNLDZEYUWPKOJS-CQSZACIVSA-N 2 0 339.440 -1.076 20 0 EAADRP CC1(OCC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]C1 ZINC000638479854 374649286 /nfs/dbraw/zinc/64/92/86/374649286.db2.gz FTTFFOJDRKAHCW-UHFFFAOYSA-N 2 0 325.413 -1.466 20 0 EAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480259 374649003 /nfs/dbraw/zinc/64/90/03/374649003.db2.gz JFOATDOUWXPUIT-CYBMUJFWSA-N 2 0 325.413 -1.466 20 0 EAADRP O=C(C[C@H]1COCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480260 374649427 /nfs/dbraw/zinc/64/94/27/374649427.db2.gz JFOATDOUWXPUIT-ZDUSSCGKSA-N 2 0 325.413 -1.466 20 0 EAADRP [NH3+]C1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCOCC1 ZINC000638480432 374649676 /nfs/dbraw/zinc/64/96/76/374649676.db2.gz OYVLTAMRRAPFPI-UHFFFAOYSA-N 2 0 325.413 -1.336 20 0 EAADRP O=C(CCOC1C[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480784 374649135 /nfs/dbraw/zinc/64/91/35/374649135.db2.gz ZUSWXTKXBSPTMF-UHFFFAOYSA-N 2 0 325.413 -1.466 20 0 EAADRP O=C(N1CC[NH2+]CC1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000638481165 374649239 /nfs/dbraw/zinc/64/92/39/374649239.db2.gz FNSMNQYUSAJCOF-BBRMVZONSA-N 2 0 337.424 -1.608 20 0 EAADRP COC[C@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000638483208 374648200 /nfs/dbraw/zinc/64/82/00/374648200.db2.gz IVOFUBZWWPHUIE-INIZCTEOSA-N 2 0 339.440 -1.218 20 0 EAADRP COC[C@@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000638483210 374649307 /nfs/dbraw/zinc/64/93/07/374649307.db2.gz IVOFUBZWWPHUIE-MRXNPFEDSA-N 2 0 339.440 -1.218 20 0 EAADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638483539 374648378 /nfs/dbraw/zinc/64/83/78/374648378.db2.gz LKSNUZQPFREYLV-CYBMUJFWSA-N 2 0 326.445 -1.565 20 0 EAADRP C[NH+](C)CC[C@H](N)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638483544 374649113 /nfs/dbraw/zinc/64/91/13/374649113.db2.gz LKSNUZQPFREYLV-ZDUSSCGKSA-N 2 0 326.445 -1.565 20 0 EAADRP O=C(COC1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638484487 374648811 /nfs/dbraw/zinc/64/88/11/374648811.db2.gz YKTOWAIWWHFHQA-UHFFFAOYSA-N 2 0 339.440 -1.076 20 0 EAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638485614 374649724 /nfs/dbraw/zinc/64/97/24/374649724.db2.gz KQYCJNYWXZUJFT-BBRMVZONSA-N 2 0 339.440 -1.077 20 0 EAADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638485615 374649401 /nfs/dbraw/zinc/64/94/01/374649401.db2.gz KQYCJNYWXZUJFT-CJNGLKHVSA-N 2 0 339.440 -1.077 20 0 EAADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638485616 374649886 /nfs/dbraw/zinc/64/98/86/374649886.db2.gz KQYCJNYWXZUJFT-CZUORRHYSA-N 2 0 339.440 -1.077 20 0 EAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638485617 374648597 /nfs/dbraw/zinc/64/85/97/374648597.db2.gz KQYCJNYWXZUJFT-XJKSGUPXSA-N 2 0 339.440 -1.077 20 0 EAADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486003 374651504 /nfs/dbraw/zinc/65/15/04/374651504.db2.gz NWAFGTRKCYMNNY-CHWSQXEVSA-N 2 0 325.413 -1.480 20 0 EAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486005 374652636 /nfs/dbraw/zinc/65/26/36/374652636.db2.gz NWAFGTRKCYMNNY-OLZOCXBDSA-N 2 0 325.413 -1.480 20 0 EAADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486007 374651394 /nfs/dbraw/zinc/65/13/94/374651394.db2.gz NWAFGTRKCYMNNY-QWHCGFSZSA-N 2 0 325.413 -1.480 20 0 EAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486009 374650903 /nfs/dbraw/zinc/65/09/03/374650903.db2.gz NWAFGTRKCYMNNY-STQMWFEESA-N 2 0 325.413 -1.480 20 0 EAADRP [NH3+]C[C@@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCCOC1 ZINC000638486319 374652622 /nfs/dbraw/zinc/65/26/22/374652622.db2.gz REKFCAICBBQJNE-INIZCTEOSA-N 2 0 339.440 -1.089 20 0 EAADRP [NH3+]C[C@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCCOC1 ZINC000638486321 374651790 /nfs/dbraw/zinc/65/17/90/374651790.db2.gz REKFCAICBBQJNE-MRXNPFEDSA-N 2 0 339.440 -1.089 20 0 EAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486478 374652114 /nfs/dbraw/zinc/65/21/14/374652114.db2.gz UFAUOQPIZRDSPE-ZDUSSCGKSA-N 2 0 327.429 -1.092 20 0 EAADRP C[C@@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]CCO1 ZINC000638486694 374652064 /nfs/dbraw/zinc/65/20/64/374652064.db2.gz UTTOMGWITUMUSV-HNNXBMFYSA-N 2 0 325.413 -1.466 20 0 EAADRP C[C@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]CCO1 ZINC000638486695 374651581 /nfs/dbraw/zinc/65/15/81/374651581.db2.gz UTTOMGWITUMUSV-OAHLLOKOSA-N 2 0 325.413 -1.466 20 0 EAADRP O=C(C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913633 374673167 /nfs/dbraw/zinc/67/31/67/374673167.db2.gz AHKGZJXHKUWKRK-DEEHTKSCSA-N 3 0 333.436 -1.498 20 0 EAADRP O=C(C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913634 374673693 /nfs/dbraw/zinc/67/36/93/374673693.db2.gz AHKGZJXHKUWKRK-GGOFEBJYSA-N 3 0 333.436 -1.498 20 0 EAADRP C[NH+](C)CCN1CCN(C[C@@H](O)CC2(O)CCOCC2)CC1=O ZINC000639721007 374753487 /nfs/dbraw/zinc/75/34/87/374753487.db2.gz ZQIDHEOXGOFGPR-AWEZNQCLSA-N 2 0 329.441 -1.015 20 0 EAADRP C[NH+](C)CCN1CCN(C[C@H](O)CC2(O)CCOCC2)CC1=O ZINC000639721008 374753827 /nfs/dbraw/zinc/75/38/27/374753827.db2.gz ZQIDHEOXGOFGPR-CQSZACIVSA-N 2 0 329.441 -1.015 20 0 EAADRP C[C@]1(CO)C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639851191 374772798 /nfs/dbraw/zinc/77/27/98/374772798.db2.gz ZUGWVNYRNBYEDP-CAOSSQGBSA-N 2 0 332.441 -1.362 20 0 EAADRP C[C@]1(CO)C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639851192 374775435 /nfs/dbraw/zinc/77/54/35/374775435.db2.gz ZUGWVNYRNBYEDP-QKPAOTATSA-N 2 0 332.441 -1.362 20 0 EAADRP C[C@]1(CO)C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639851193 374775147 /nfs/dbraw/zinc/77/51/47/374775147.db2.gz ZUGWVNYRNBYEDP-SYMSYNOKSA-N 2 0 332.441 -1.362 20 0 EAADRP C[C@]1(CO)C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639851194 374777407 /nfs/dbraw/zinc/77/74/07/374777407.db2.gz ZUGWVNYRNBYEDP-YHUYYLMFSA-N 2 0 332.441 -1.362 20 0 EAADRP COCC[N@H+](C)C[C@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641223062 374954344 /nfs/dbraw/zinc/95/43/44/374954344.db2.gz NTAFVGIFXGZSRH-HNNXBMFYSA-N 2 0 326.445 -1.035 20 0 EAADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641223091 374954213 /nfs/dbraw/zinc/95/42/13/374954213.db2.gz NTAFVGIFXGZSRH-OAHLLOKOSA-N 2 0 326.445 -1.035 20 0 EAADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642440202 375145655 /nfs/dbraw/zinc/14/56/55/375145655.db2.gz ZAAHIFBUHZJSMD-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642440203 375145815 /nfs/dbraw/zinc/14/58/15/375145815.db2.gz ZAAHIFBUHZJSMD-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000642440232 375145630 /nfs/dbraw/zinc/14/56/30/375145630.db2.gz ZTRNSLQOJPCYMA-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000642440233 375146236 /nfs/dbraw/zinc/14/62/36/375146236.db2.gz ZTRNSLQOJPCYMA-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642733452 374267170 /nfs/dbraw/zinc/26/71/70/374267170.db2.gz PFJDCAVEDKDAPI-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642733453 374266979 /nfs/dbraw/zinc/26/69/79/374266979.db2.gz PFJDCAVEDKDAPI-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000642897483 374349625 /nfs/dbraw/zinc/34/96/25/374349625.db2.gz KNAQSVISSMWMDU-AWEZNQCLSA-N 2 0 325.457 -1.003 20 0 EAADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000642897484 374350360 /nfs/dbraw/zinc/35/03/60/374350360.db2.gz KNAQSVISSMWMDU-CQSZACIVSA-N 2 0 325.457 -1.003 20 0 EAADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642897500 374350453 /nfs/dbraw/zinc/35/04/53/374350453.db2.gz RHKZGOBCXFCAEN-UHFFFAOYSA-N 2 0 346.435 -1.248 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642910624 374357415 /nfs/dbraw/zinc/35/74/15/374357415.db2.gz KDBYKVNYBOXNNO-GFCCVEGCSA-N 2 0 327.429 -1.538 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642910625 374358336 /nfs/dbraw/zinc/35/83/36/374358336.db2.gz KDBYKVNYBOXNNO-LBPRGKRZSA-N 2 0 327.429 -1.538 20 0 EAADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000642991624 374419653 /nfs/dbraw/zinc/41/96/53/374419653.db2.gz UYPQTXPJJCIXAA-AWEZNQCLSA-N 2 0 342.440 -1.338 20 0 EAADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000642991625 374419036 /nfs/dbraw/zinc/41/90/36/374419036.db2.gz UYPQTXPJJCIXAA-CQSZACIVSA-N 2 0 342.440 -1.338 20 0 EAADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000643478754 374829282 /nfs/dbraw/zinc/82/92/82/374829282.db2.gz BLDMCQDTGFKCPS-AWEZNQCLSA-N 2 0 333.392 -1.084 20 0 EAADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000643478755 374830222 /nfs/dbraw/zinc/83/02/22/374830222.db2.gz BLDMCQDTGFKCPS-CQSZACIVSA-N 2 0 333.392 -1.084 20 0 EAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000643509574 374890095 /nfs/dbraw/zinc/89/00/95/374890095.db2.gz UMJXTJCPVAPSGY-KBPBESRZSA-N 3 0 343.472 -1.487 20 0 EAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000643509575 374890710 /nfs/dbraw/zinc/89/07/10/374890710.db2.gz UMJXTJCPVAPSGY-KGLIPLIRSA-N 3 0 343.472 -1.487 20 0 EAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000643509576 374890731 /nfs/dbraw/zinc/89/07/31/374890731.db2.gz UMJXTJCPVAPSGY-UONOGXRCSA-N 3 0 343.472 -1.487 20 0 EAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000643509577 374889430 /nfs/dbraw/zinc/88/94/30/374889430.db2.gz UMJXTJCPVAPSGY-ZIAGYGMSSA-N 3 0 343.472 -1.487 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643513378 374897758 /nfs/dbraw/zinc/89/77/58/374897758.db2.gz HBGSXCIHKXKYCT-CABCVRRESA-N 2 0 335.452 -1.201 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643513379 374898652 /nfs/dbraw/zinc/89/86/52/374898652.db2.gz HBGSXCIHKXKYCT-GJZGRUSLSA-N 2 0 335.452 -1.201 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643513380 374897675 /nfs/dbraw/zinc/89/76/75/374897675.db2.gz HBGSXCIHKXKYCT-HUUCEWRRSA-N 2 0 335.452 -1.201 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643513381 374897819 /nfs/dbraw/zinc/89/78/19/374897819.db2.gz HBGSXCIHKXKYCT-LSDHHAIUSA-N 2 0 335.452 -1.201 20 0 EAADRP CN1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](C[NH3+])C1 ZINC000643577690 374247144 /nfs/dbraw/zinc/24/71/44/374247144.db2.gz QAFZDBUPCCTGLG-HNNXBMFYSA-N 2 0 346.435 -1.169 20 0 EAADRP CN1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@H](C[NH3+])C1 ZINC000643577691 374248110 /nfs/dbraw/zinc/24/81/10/374248110.db2.gz QAFZDBUPCCTGLG-OAHLLOKOSA-N 2 0 346.435 -1.169 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644225655 414875644 /nfs/dbraw/zinc/87/56/44/414875644.db2.gz WDKQMTIDZSLDRO-QLFBSQMISA-N 2 0 346.435 -1.020 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644225656 414875521 /nfs/dbraw/zinc/87/55/21/414875521.db2.gz WDKQMTIDZSLDRO-SOUVJXGZSA-N 2 0 346.435 -1.020 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644226631 414875905 /nfs/dbraw/zinc/87/59/05/414875905.db2.gz QUKZLECOKXVVIH-BEAPCOKYSA-N 2 0 346.435 -1.164 20 0 EAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000644640167 414881497 /nfs/dbraw/zinc/88/14/97/414881497.db2.gz PGZAAUDQCYIENW-KFWWJZLASA-N 2 0 348.513 -1.098 20 0 EAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000644640168 414879223 /nfs/dbraw/zinc/87/92/23/414879223.db2.gz PGZAAUDQCYIENW-RBSFLKMASA-N 2 0 348.513 -1.098 20 0 EAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000644640169 414881514 /nfs/dbraw/zinc/88/15/14/414881514.db2.gz PGZAAUDQCYIENW-RRFJBIMHSA-N 2 0 348.513 -1.098 20 0 EAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000644640170 414880087 /nfs/dbraw/zinc/88/00/87/414880087.db2.gz PGZAAUDQCYIENW-ZNMIVQPWSA-N 2 0 348.513 -1.098 20 0 EAADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000645219663 414941500 /nfs/dbraw/zinc/94/15/00/414941500.db2.gz JWWPGQQURSTPIO-KBPBESRZSA-N 2 0 340.472 -1.006 20 0 EAADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000645219664 414941382 /nfs/dbraw/zinc/94/13/82/414941382.db2.gz JWWPGQQURSTPIO-KGLIPLIRSA-N 2 0 340.472 -1.006 20 0 EAADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000645219665 414942192 /nfs/dbraw/zinc/94/21/92/414942192.db2.gz JWWPGQQURSTPIO-UONOGXRCSA-N 2 0 340.472 -1.006 20 0 EAADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000645219666 414942822 /nfs/dbraw/zinc/94/28/22/414942822.db2.gz JWWPGQQURSTPIO-ZIAGYGMSSA-N 2 0 340.472 -1.006 20 0 EAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)n1 ZINC000645624561 545715073 /nfs/dbraw/zinc/71/50/73/545715073.db2.gz RGYYCKVLRLNHCT-CHWSQXEVSA-N 2 0 334.424 -0.454 20 0 EAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)n1 ZINC000645624564 545715741 /nfs/dbraw/zinc/71/57/41/545715741.db2.gz RGYYCKVLRLNHCT-OLZOCXBDSA-N 2 0 334.424 -0.454 20 0 EAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)n1 ZINC000645624565 545716163 /nfs/dbraw/zinc/71/61/63/545716163.db2.gz RGYYCKVLRLNHCT-QWHCGFSZSA-N 2 0 334.424 -0.454 20 0 EAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)n1 ZINC000645624566 545715240 /nfs/dbraw/zinc/71/52/40/545715240.db2.gz RGYYCKVLRLNHCT-STQMWFEESA-N 2 0 334.424 -0.454 20 0 EAADRP O=C(CCOC1C[NH2+]C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009447 415227930 /nfs/dbraw/zinc/22/79/30/415227930.db2.gz KWBXAAIXHOAJML-AWEZNQCLSA-N 2 0 326.441 -1.112 20 0 EAADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009448 415227001 /nfs/dbraw/zinc/22/70/01/415227001.db2.gz KWBXAAIXHOAJML-CQSZACIVSA-N 2 0 326.441 -1.112 20 0 EAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646061642 415231859 /nfs/dbraw/zinc/23/18/59/415231859.db2.gz BUROVHOGWIZCRO-AWEZNQCLSA-N 2 0 325.457 -1.050 20 0 EAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646061643 415230993 /nfs/dbraw/zinc/23/09/93/415230993.db2.gz BUROVHOGWIZCRO-CQSZACIVSA-N 2 0 325.457 -1.050 20 0 EAADRP CN1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000647092142 414834541 /nfs/dbraw/zinc/83/45/41/414834541.db2.gz HONSSTDOCYTDNN-CYBMUJFWSA-N 2 0 330.454 -1.084 20 0 EAADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000647700680 414896229 /nfs/dbraw/zinc/89/62/29/414896229.db2.gz XGEGCGIBGUUGCI-GFCCVEGCSA-N 2 0 328.394 -1.150 20 0 EAADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000647700681 414895789 /nfs/dbraw/zinc/89/57/89/414895789.db2.gz XGEGCGIBGUUGCI-LBPRGKRZSA-N 2 0 328.394 -1.150 20 0 EAADRP CN(CCN1CC[NH2+]CC1)CC(=O)NCCCN1CCCC1=O ZINC000647835107 414944515 /nfs/dbraw/zinc/94/45/15/414944515.db2.gz NIXHKVPCIGVNCK-UHFFFAOYSA-N 2 0 325.457 -1.048 20 0 EAADRP CN(CCN1CC[NH2+]CC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000647835705 414944038 /nfs/dbraw/zinc/94/40/38/414944038.db2.gz JREVHKUZGPTBER-UHFFFAOYSA-N 2 0 337.468 -1.096 20 0 EAADRP CN(CCNS(=O)(=O)c1cnn(C)c1)CCN1CC[NH2+]CC1 ZINC000647835789 414944843 /nfs/dbraw/zinc/94/48/43/414944843.db2.gz OLVMNWMITNRHFI-UHFFFAOYSA-N 2 0 330.458 -1.465 20 0 EAADRP CC(=O)N1CCN(C(=O)[C@H](C)N(C)CCN2CC[NH2+]CC2)CC1 ZINC000647835830 414944205 /nfs/dbraw/zinc/94/42/05/414944205.db2.gz QLWORJWUFLLOMZ-AWEZNQCLSA-N 2 0 325.457 -1.097 20 0 EAADRP CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCN2CC[NH2+]CC2)CC1 ZINC000647835831 414945923 /nfs/dbraw/zinc/94/59/23/414945923.db2.gz QLWORJWUFLLOMZ-CQSZACIVSA-N 2 0 325.457 -1.097 20 0 EAADRP Cn1c2ncn(CC[N@H+](C)CCN3CC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000647835879 414944626 /nfs/dbraw/zinc/94/46/26/414944626.db2.gz STALNPRVENHPKV-UHFFFAOYSA-N 2 0 349.439 -1.729 20 0 EAADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCN1CC[NH2+]CC1 ZINC000647835903 414945424 /nfs/dbraw/zinc/94/54/24/414945424.db2.gz UKALAQXSOTXNFX-KBPBESRZSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCN1CC[NH2+]CC1 ZINC000647835904 414944269 /nfs/dbraw/zinc/94/42/69/414944269.db2.gz UKALAQXSOTXNFX-KGLIPLIRSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCN1CC[NH2+]CC1 ZINC000647835905 414945715 /nfs/dbraw/zinc/94/57/15/414945715.db2.gz UKALAQXSOTXNFX-UONOGXRCSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCN1CC[NH2+]CC1 ZINC000647835906 414946044 /nfs/dbraw/zinc/94/60/44/414946044.db2.gz UKALAQXSOTXNFX-ZIAGYGMSSA-N 2 0 325.457 -1.064 20 0 EAADRP CN(CCN1CC[NH2+]CC1)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000647835913 414944888 /nfs/dbraw/zinc/94/48/88/414944888.db2.gz URUHHTZQPFXANK-UHFFFAOYSA-N 2 0 349.501 -1.779 20 0 EAADRP CC(=O)N[C@H]1CCCN(C(=O)CN(C)CCN2CC[NH2+]CC2)C1 ZINC000647835994 414946253 /nfs/dbraw/zinc/94/62/53/414946253.db2.gz XVDJZIXNLUXXGS-HNNXBMFYSA-N 2 0 325.457 -1.050 20 0 EAADRP CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CCN2CC[NH2+]CC2)C1 ZINC000647835995 414943883 /nfs/dbraw/zinc/94/38/83/414943883.db2.gz XVDJZIXNLUXXGS-OAHLLOKOSA-N 2 0 325.457 -1.050 20 0 EAADRP C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCN1CC[NH2+]CC1 ZINC000647836022 414944496 /nfs/dbraw/zinc/94/44/96/414944496.db2.gz YYMJVQSZWTYOPT-CYBMUJFWSA-N 2 0 325.457 -1.051 20 0 EAADRP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCN1CC[NH2+]CC1 ZINC000647836023 414943952 /nfs/dbraw/zinc/94/39/52/414943952.db2.gz YYMJVQSZWTYOPT-ZDUSSCGKSA-N 2 0 325.457 -1.051 20 0 EAADRP CN(CCN1CC[NH2+]CC1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000647836244 414945076 /nfs/dbraw/zinc/94/50/76/414945076.db2.gz UXFJQGPNEVLSIK-UHFFFAOYSA-N 2 0 347.467 -1.038 20 0 EAADRP CN(C)S(=O)(=O)N1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000647874770 414943978 /nfs/dbraw/zinc/94/39/78/414943978.db2.gz WIJUGZUVQPUZGX-UHFFFAOYSA-N 2 0 333.458 -1.768 20 0 EAADRP O=C(C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000648140163 414827822 /nfs/dbraw/zinc/82/78/22/414827822.db2.gz GKDNMGAULHOXTM-UNVSGINXSA-N 3 0 333.436 -1.976 20 0 EAADRP O=C(C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000648143997 414828503 /nfs/dbraw/zinc/82/85/03/414828503.db2.gz GKDNMGAULHOXTM-QZQUGSIZSA-N 3 0 333.436 -1.976 20 0 EAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649272165 415275483 /nfs/dbraw/zinc/27/54/83/415275483.db2.gz PFTKOGMRNKWKGV-AWEZNQCLSA-N 2 0 325.457 -1.240 20 0 EAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649272166 415272684 /nfs/dbraw/zinc/27/26/84/415272684.db2.gz PFTKOGMRNKWKGV-CQSZACIVSA-N 2 0 325.457 -1.240 20 0 EAADRP CC1(OCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH2+]C1 ZINC000649335681 415273068 /nfs/dbraw/zinc/27/30/68/415273068.db2.gz RKSHVDWFNVCOFZ-AWEZNQCLSA-N 2 0 326.441 -1.112 20 0 EAADRP CC1(OCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH2+]C1 ZINC000649335682 415273429 /nfs/dbraw/zinc/27/34/29/415273429.db2.gz RKSHVDWFNVCOFZ-CQSZACIVSA-N 2 0 326.441 -1.112 20 0 EAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COC2(C)C[NH2+]C2)cn1 ZINC000649340271 415276187 /nfs/dbraw/zinc/27/61/87/415276187.db2.gz NKDBZAOWLODUKZ-UHFFFAOYSA-N 2 0 338.412 -1.122 20 0 EAADRP C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(CC[NH+](C)C)C(=O)C2)C1=O ZINC000649482335 415281215 /nfs/dbraw/zinc/28/12/15/415281215.db2.gz IXEDHXLMZGQVBO-CYBMUJFWSA-N 2 0 339.440 -1.619 20 0 EAADRP C[NH+](C)CCN1C(=O)C[C@H](N2CCN(CC[NH+](C)C)C(=O)C2)C1=O ZINC000649482336 415278981 /nfs/dbraw/zinc/27/89/81/415278981.db2.gz IXEDHXLMZGQVBO-ZDUSSCGKSA-N 2 0 339.440 -1.619 20 0 EAADRP COCC[N@H+](C)CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650824355 414853831 /nfs/dbraw/zinc/85/38/31/414853831.db2.gz LNPJTAPKKPSLLA-UHFFFAOYSA-N 2 0 329.445 -1.020 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650865669 414853969 /nfs/dbraw/zinc/85/39/69/414853969.db2.gz IYVGZOPDHHDSJX-AWEZNQCLSA-N 2 0 340.472 -1.352 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650865670 414854883 /nfs/dbraw/zinc/85/48/83/414854883.db2.gz IYVGZOPDHHDSJX-CQSZACIVSA-N 2 0 340.472 -1.352 20 0 EAADRP C[NH+](C)CCOCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651053173 414883878 /nfs/dbraw/zinc/88/38/78/414883878.db2.gz GFVGUYTUOVKZAG-UHFFFAOYSA-N 2 0 329.445 -1.020 20 0 EAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652399029 414905751 /nfs/dbraw/zinc/90/57/51/414905751.db2.gz NRMMIZNVHKAEFI-UHFFFAOYSA-N 2 0 327.429 -1.761 20 0 EAADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652399152 414903762 /nfs/dbraw/zinc/90/37/62/414903762.db2.gz SHGZYRJVUDXIQR-UHFFFAOYSA-N 2 0 341.456 -1.371 20 0 EAADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H]1C[NH3+] ZINC000652673391 414909561 /nfs/dbraw/zinc/90/95/61/414909561.db2.gz NXBKFWOMYXMQPB-HZSPNIEDSA-N 2 0 341.456 -1.829 20 0 EAADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1C[NH3+] ZINC000652673392 414909968 /nfs/dbraw/zinc/90/99/68/414909968.db2.gz NXBKFWOMYXMQPB-MGPQQGTHSA-N 2 0 341.456 -1.829 20 0 EAADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)CCOC)C[C@H]1C[NH3+] ZINC000652681162 414909671 /nfs/dbraw/zinc/90/96/71/414909671.db2.gz CFXZRQOPYULQMG-CHWSQXEVSA-N 2 0 330.429 -1.497 20 0 EAADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@H]1C[NH3+] ZINC000652692599 414884259 /nfs/dbraw/zinc/88/42/59/414884259.db2.gz YYRVICJNGAIOPB-HZSPNIEDSA-N 2 0 342.440 -1.355 20 0 EAADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@H]1C[NH3+] ZINC000652692600 414882260 /nfs/dbraw/zinc/88/22/60/414882260.db2.gz YYRVICJNGAIOPB-MGPQQGTHSA-N 2 0 342.440 -1.355 20 0 EAADRP CCO[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000652692775 414887888 /nfs/dbraw/zinc/88/78/88/414887888.db2.gz CJXORPGDGUHUBE-CHWSQXEVSA-N 2 0 330.429 -1.497 20 0 EAADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000652694947 414883661 /nfs/dbraw/zinc/88/36/61/414883661.db2.gz KJGFSOWVFCUYED-UHFFFAOYSA-N 2 0 339.440 -1.521 20 0 EAADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000652695211 414884567 /nfs/dbraw/zinc/88/45/67/414884567.db2.gz PKLHDGVMBOPLII-UHFFFAOYSA-N 2 0 325.457 -1.048 20 0 EAADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000652695682 414894445 /nfs/dbraw/zinc/89/44/45/414894445.db2.gz YVMWNZDTCSDXEP-UHFFFAOYSA-N 2 0 341.456 -1.372 20 0 EAADRP CCO[C@@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000652729100 414960673 /nfs/dbraw/zinc/96/06/73/414960673.db2.gz QZSHKMKRRQZGTF-ZIAGYGMSSA-N 2 0 344.456 -1.155 20 0 EAADRP CC[NH+]1CCN(CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652735905 414982891 /nfs/dbraw/zinc/98/28/91/414982891.db2.gz XGZWWDDGDNPZQW-UHFFFAOYSA-N 2 0 325.457 -1.144 20 0 EAADRP CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000653022004 415151361 /nfs/dbraw/zinc/15/13/61/415151361.db2.gz XQLNNLPSGSXAEX-CYBMUJFWSA-N 2 0 347.485 -1.333 20 0 EAADRP CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000653022005 415151853 /nfs/dbraw/zinc/15/18/53/415151853.db2.gz XQLNNLPSGSXAEX-ZDUSSCGKSA-N 2 0 347.485 -1.333 20 0 EAADRP O=C([C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)N1CC[NH2+]CC1 ZINC000653045933 415151770 /nfs/dbraw/zinc/15/17/70/415151770.db2.gz WIMNONNOSXRVIX-KEYYUXOJSA-N 2 0 336.436 -1.107 20 0 EAADRP O=C([C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)N1CC[NH2+]CC1 ZINC000653045934 415153445 /nfs/dbraw/zinc/15/34/45/415153445.db2.gz WIMNONNOSXRVIX-ZQIUZPCESA-N 2 0 336.436 -1.107 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653116323 414837485 /nfs/dbraw/zinc/83/74/85/414837485.db2.gz BWINDOUXRJCKHY-YOEHRIQHSA-N 2 0 336.436 -1.011 20 0 EAADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119968 414836621 /nfs/dbraw/zinc/83/66/21/414836621.db2.gz BBCHVYJMNYYSAV-UXLLHSPISA-N 2 0 338.452 -1.255 20 0 EAADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119969 414836043 /nfs/dbraw/zinc/83/60/43/414836043.db2.gz BBCHVYJMNYYSAV-ZOBUZTSGSA-N 2 0 338.452 -1.255 20 0 EAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653349949 414953076 /nfs/dbraw/zinc/95/30/76/414953076.db2.gz FLQKEALDVIDIHN-UHFFFAOYSA-N 2 0 341.456 -1.323 20 0 EAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1=O ZINC000653353996 414965350 /nfs/dbraw/zinc/96/53/50/414965350.db2.gz LBNXURXPIORBJP-UHFFFAOYSA-N 2 0 339.440 -1.571 20 0 EAADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1=O ZINC000653382747 414992527 /nfs/dbraw/zinc/99/25/27/414992527.db2.gz UKVZAHFKVGEPMQ-UHFFFAOYSA-N 2 0 339.440 -1.571 20 0 EAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653383455 414992712 /nfs/dbraw/zinc/99/27/12/414992712.db2.gz PECLVOKHNQIADN-CYBMUJFWSA-N 2 0 341.456 -1.325 20 0 EAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653383456 414989977 /nfs/dbraw/zinc/98/99/77/414989977.db2.gz PECLVOKHNQIADN-ZDUSSCGKSA-N 2 0 341.456 -1.325 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655908748 415290780 /nfs/dbraw/zinc/29/07/80/415290780.db2.gz ZWFONMHUYKTXRV-IGQOVBAYSA-N 2 0 338.408 -2.459 20 0 EAADRP O=C(CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1 ZINC000656019201 415292707 /nfs/dbraw/zinc/29/27/07/415292707.db2.gz CEDPHNLZINJGPE-NWDGAFQWSA-N 2 0 339.396 -3.188 20 0 EAADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020036 415293788 /nfs/dbraw/zinc/29/37/88/415293788.db2.gz LDXFUTAJKJRBJZ-QWHCGFSZSA-N 2 0 325.413 -2.715 20 0 EAADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020914 415292939 /nfs/dbraw/zinc/29/29/39/415292939.db2.gz WXBYKGUIFKQFEY-UONOGXRCSA-N 2 0 339.440 -2.325 20 0 EAADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022787 415292599 /nfs/dbraw/zinc/29/25/99/415292599.db2.gz LZZKWJVKYWXEFO-RVMXOQNASA-N 2 0 340.424 -1.507 20 0 EAADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022793 415293844 /nfs/dbraw/zinc/29/38/44/415293844.db2.gz LZZKWJVKYWXEFO-WUHRBBMRSA-N 2 0 340.424 -1.507 20 0 EAADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022794 415295065 /nfs/dbraw/zinc/29/50/65/415295065.db2.gz LZZKWJVKYWXEFO-XQHKEYJVSA-N 2 0 340.424 -1.507 20 0 EAADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022795 415295382 /nfs/dbraw/zinc/29/53/82/415295382.db2.gz LZZKWJVKYWXEFO-YVECIDJPSA-N 2 0 340.424 -1.507 20 0 EAADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024487 415291703 /nfs/dbraw/zinc/29/17/03/415291703.db2.gz QQBAWYCZMDSLNW-ARILJUKYSA-N 2 0 336.436 -1.232 20 0 EAADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024488 415292472 /nfs/dbraw/zinc/29/24/72/415292472.db2.gz QQBAWYCZMDSLNW-QKGCVVFFSA-N 2 0 336.436 -1.232 20 0 EAADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024493 415291809 /nfs/dbraw/zinc/29/18/09/415291809.db2.gz QQBAWYCZMDSLNW-SBJFKYEJSA-N 2 0 336.436 -1.232 20 0 EAADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024495 415292266 /nfs/dbraw/zinc/29/22/66/415292266.db2.gz QQBAWYCZMDSLNW-VYDRJRHOSA-N 2 0 336.436 -1.232 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000656068302 583227133 /nfs/dbraw/zinc/22/71/33/583227133.db2.gz UKNGDCXGOQXHEO-QLFBSQMISA-N 2 0 336.436 -1.040 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000656068303 583227155 /nfs/dbraw/zinc/22/71/55/583227155.db2.gz UKNGDCXGOQXHEO-SOUVJXGZSA-N 2 0 336.436 -1.040 20 0 EAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069440 583227258 /nfs/dbraw/zinc/22/72/58/583227258.db2.gz BXGFZZSLVXFRMQ-UONOGXRCSA-N 2 0 342.440 -1.700 20 0 EAADRP CN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000656069472 583226987 /nfs/dbraw/zinc/22/69/87/583226987.db2.gz CXNAOSRPWNBGOF-QLFBSQMISA-N 2 0 336.436 -1.041 20 0 EAADRP CN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000656069473 583227233 /nfs/dbraw/zinc/22/72/33/583227233.db2.gz CXNAOSRPWNBGOF-SOUVJXGZSA-N 2 0 336.436 -1.041 20 0 EAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@H]2C1 ZINC000656084471 415299031 /nfs/dbraw/zinc/29/90/31/415299031.db2.gz YEDHBLNIMHSTAJ-BARDWOONSA-N 2 0 336.436 -1.184 20 0 EAADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656084472 415296375 /nfs/dbraw/zinc/29/63/75/415296375.db2.gz YEDHBLNIMHSTAJ-BYNSBNAKSA-N 2 0 336.436 -1.184 20 0 EAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656084473 415296969 /nfs/dbraw/zinc/29/69/69/415296969.db2.gz YEDHBLNIMHSTAJ-LXTVHRRPSA-N 2 0 336.436 -1.184 20 0 EAADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@H]2C1 ZINC000656084474 415298135 /nfs/dbraw/zinc/29/81/35/415298135.db2.gz YEDHBLNIMHSTAJ-XQLPTFJDSA-N 2 0 336.436 -1.184 20 0 EAADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087256 415298404 /nfs/dbraw/zinc/29/84/04/415298404.db2.gz BDRDPDTWTMTIBE-JJRVBVJISA-N 2 0 336.436 -1.182 20 0 EAADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087258 415298987 /nfs/dbraw/zinc/29/89/87/415298987.db2.gz BDRDPDTWTMTIBE-VBQJREDUSA-N 2 0 336.436 -1.182 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000656088586 415298623 /nfs/dbraw/zinc/29/86/23/415298623.db2.gz MQDSCUOHMZFXAP-QLFBSQMISA-N 2 0 334.420 -1.264 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000656088593 415297039 /nfs/dbraw/zinc/29/70/39/415297039.db2.gz MQDSCUOHMZFXAP-SOUVJXGZSA-N 2 0 334.420 -1.264 20 0 EAADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656088943 415297543 /nfs/dbraw/zinc/29/75/43/415297543.db2.gz OWCDSQXSTZSZKV-BYNSBNAKSA-N 2 0 336.436 -1.184 20 0 EAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656101987 415298866 /nfs/dbraw/zinc/29/88/66/415298866.db2.gz AJWPDEIXPZYNNG-RVMXOQNASA-N 2 0 326.397 -2.162 20 0 EAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656101988 415298924 /nfs/dbraw/zinc/29/89/24/415298924.db2.gz AJWPDEIXPZYNNG-WUHRBBMRSA-N 2 0 326.397 -2.162 20 0 EAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656101989 415298347 /nfs/dbraw/zinc/29/83/47/415298347.db2.gz AJWPDEIXPZYNNG-XQHKEYJVSA-N 2 0 326.397 -2.162 20 0 EAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656101990 415296236 /nfs/dbraw/zinc/29/62/36/415296236.db2.gz AJWPDEIXPZYNNG-YVECIDJPSA-N 2 0 326.397 -2.162 20 0 EAADRP CN1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000656102454 415296119 /nfs/dbraw/zinc/29/61/19/415296119.db2.gz KVBDBSQBEVRXBD-RWMBFGLXSA-N 2 0 325.413 -2.635 20 0 EAADRP CN1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000656102455 415298498 /nfs/dbraw/zinc/29/84/98/415298498.db2.gz KVBDBSQBEVRXBD-YNEHKIRRSA-N 2 0 325.413 -2.635 20 0 EAADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC000656104201 415298465 /nfs/dbraw/zinc/29/84/65/415298465.db2.gz KCVIKJHYOPJNFV-XJFOESAGSA-N 2 0 340.424 -1.914 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000656104253 415299102 /nfs/dbraw/zinc/29/91/02/415299102.db2.gz LROXOZQIHICOEK-UONOGXRCSA-N 2 0 336.436 -1.134 20 0 EAADRP O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104673 415301550 /nfs/dbraw/zinc/30/15/50/415301550.db2.gz ULXQBNWOEBHHEC-JJRVBVJISA-N 2 0 336.436 -1.134 20 0 EAADRP O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104674 415299802 /nfs/dbraw/zinc/29/98/02/415299802.db2.gz ULXQBNWOEBHHEC-VBQJREDUSA-N 2 0 336.436 -1.134 20 0 EAADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656104781 415302199 /nfs/dbraw/zinc/30/21/99/415302199.db2.gz VIFNHJIOWJBTNL-QKGCVVFFSA-N 2 0 336.436 -1.150 20 0 EAADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656104785 415302006 /nfs/dbraw/zinc/30/20/06/415302006.db2.gz VIFNHJIOWJBTNL-SBJFKYEJSA-N 2 0 336.436 -1.150 20 0 EAADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C[C@H]21 ZINC000656104787 415303609 /nfs/dbraw/zinc/30/36/09/415303609.db2.gz VIFNHJIOWJBTNL-VQJWOFKYSA-N 2 0 336.436 -1.150 20 0 EAADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C[C@H]21 ZINC000656104789 415302084 /nfs/dbraw/zinc/30/20/84/415302084.db2.gz VIFNHJIOWJBTNL-XLWJZTARSA-N 2 0 336.436 -1.150 20 0 EAADRP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297646 415303475 /nfs/dbraw/zinc/30/34/75/415303475.db2.gz HBWPDYBXDDYGAT-AEGPPILISA-N 2 0 336.436 -1.136 20 0 EAADRP O=C(NC[C@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297647 415302169 /nfs/dbraw/zinc/30/21/69/415302169.db2.gz HBWPDYBXDDYGAT-VHDGCEQUSA-N 2 0 336.436 -1.136 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656299283 415299847 /nfs/dbraw/zinc/29/98/47/415299847.db2.gz ZXXAVNQFFWIRJL-UONOGXRCSA-N 2 0 342.440 -1.652 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656308092 415302741 /nfs/dbraw/zinc/30/27/41/415302741.db2.gz XCDZCBXIBAECHD-QWHCGFSZSA-N 2 0 328.413 -2.042 20 0 EAADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656311887 415302929 /nfs/dbraw/zinc/30/29/29/415302929.db2.gz PQUSMSKCJLNJNV-QLFBSQMISA-N 2 0 336.436 -1.136 20 0 EAADRP O=C(N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656311888 415303065 /nfs/dbraw/zinc/30/30/65/415303065.db2.gz PQUSMSKCJLNJNV-SOUVJXGZSA-N 2 0 336.436 -1.136 20 0 EAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656312320 415302421 /nfs/dbraw/zinc/30/24/21/415302421.db2.gz UIXGVIAZGKWDKV-HZSPNIEDSA-N 2 0 340.424 -1.899 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656312321 415300559 /nfs/dbraw/zinc/30/05/59/415300559.db2.gz UIXGVIAZGKWDKV-MELADBBJSA-N 2 0 340.424 -1.899 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656320768 415299604 /nfs/dbraw/zinc/29/96/04/415299604.db2.gz UKFLRIIXVAUTFG-UONOGXRCSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656325465 415303938 /nfs/dbraw/zinc/30/39/38/415303938.db2.gz SBWIRBNHEMYTRR-QWHCGFSZSA-N 2 0 328.413 -2.042 20 0 EAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656334604 415299409 /nfs/dbraw/zinc/29/94/09/415299409.db2.gz QUPBNVWHRZBUCV-BEAPCOKYSA-N 2 0 336.436 -1.137 20 0 EAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656334605 415303235 /nfs/dbraw/zinc/30/32/35/415303235.db2.gz QUPBNVWHRZBUCV-FAAHXZRKSA-N 2 0 336.436 -1.137 20 0 EAADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656334606 415301208 /nfs/dbraw/zinc/30/12/08/415301208.db2.gz QUPBNVWHRZBUCV-MHEUCROKSA-N 2 0 336.436 -1.137 20 0 EAADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656334608 415301673 /nfs/dbraw/zinc/30/16/73/415301673.db2.gz QUPBNVWHRZBUCV-SPWCGHHHSA-N 2 0 336.436 -1.137 20 0 EAADRP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C[C@H]21 ZINC000656792768 415305868 /nfs/dbraw/zinc/30/58/68/415305868.db2.gz XGYOGVODRLXFRR-FQUUOJAGSA-N 2 0 345.465 -1.073 20 0 EAADRP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C[C@H]21 ZINC000656792780 415305054 /nfs/dbraw/zinc/30/50/54/415305054.db2.gz XGYOGVODRLXFRR-RQJABVFESA-N 2 0 345.465 -1.073 20 0 EAADRP CN(C[C@H]1COCCO1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000658534331 415319562 /nfs/dbraw/zinc/31/95/62/415319562.db2.gz ACVBQTVRPKRDGL-AWEZNQCLSA-N 2 0 344.456 -1.188 20 0 EAADRP CN(C[C@@H]1COCCO1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000658534332 415318803 /nfs/dbraw/zinc/31/88/03/415318803.db2.gz ACVBQTVRPKRDGL-CQSZACIVSA-N 2 0 344.456 -1.188 20 0 EAADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000658537448 415317869 /nfs/dbraw/zinc/31/78/69/415317869.db2.gz WORHPNZZAAFDKK-UHFFFAOYSA-N 3 0 327.473 -1.042 20 0 EAADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000658776243 415325567 /nfs/dbraw/zinc/32/55/67/415325567.db2.gz UCUVVJSBCFDNGX-UHFFFAOYSA-N 2 0 339.440 -1.761 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000659318533 415327650 /nfs/dbraw/zinc/32/76/50/415327650.db2.gz LANYSAMTQOCAAC-INIZCTEOSA-N 2 0 341.456 -1.338 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000659318535 415329750 /nfs/dbraw/zinc/32/97/50/415329750.db2.gz LANYSAMTQOCAAC-MRXNPFEDSA-N 2 0 341.456 -1.338 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000659506887 414983863 /nfs/dbraw/zinc/98/38/63/414983863.db2.gz DCKPCABDLCCEMK-UHFFFAOYSA-N 2 0 328.461 -1.447 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659509054 414984059 /nfs/dbraw/zinc/98/40/59/414984059.db2.gz UYHOWGXXVLRWJA-UHFFFAOYSA-N 2 0 342.444 -1.920 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659683388 415331268 /nfs/dbraw/zinc/33/12/68/415331268.db2.gz XPRBSHHFWHAZIV-CHWSQXEVSA-N 3 0 325.457 -1.005 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659683389 415331889 /nfs/dbraw/zinc/33/18/89/415331889.db2.gz XPRBSHHFWHAZIV-OLZOCXBDSA-N 3 0 325.457 -1.005 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659683390 415331808 /nfs/dbraw/zinc/33/18/08/415331808.db2.gz XPRBSHHFWHAZIV-QWHCGFSZSA-N 3 0 325.457 -1.005 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659683391 415332843 /nfs/dbraw/zinc/33/28/43/415332843.db2.gz XPRBSHHFWHAZIV-STQMWFEESA-N 3 0 325.457 -1.005 20 0 EAADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1(C)C ZINC000659688784 415336891 /nfs/dbraw/zinc/33/68/91/415336891.db2.gz KJNFWJHZKDJFKL-UHFFFAOYSA-N 2 0 337.468 -1.003 20 0 EAADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659691010 415336135 /nfs/dbraw/zinc/33/61/35/415336135.db2.gz ZENLXBLIHAJVDB-UHFFFAOYSA-N 2 0 337.468 -1.003 20 0 EAADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000659694073 415334120 /nfs/dbraw/zinc/33/41/20/415334120.db2.gz DPZWSEPPXZNRJG-CYBMUJFWSA-N 2 0 341.456 -1.244 20 0 EAADRP CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659694373 415334456 /nfs/dbraw/zinc/33/44/56/415334456.db2.gz IDTGQCZRPBWPMY-VXGBXAGGSA-N 2 0 343.403 -1.836 20 0 EAADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000659694672 415334935 /nfs/dbraw/zinc/33/49/35/415334935.db2.gz LTBRNFZQBAUMNO-UHFFFAOYSA-N 2 0 327.429 -1.538 20 0 EAADRP CN1CCN(C(=O)CCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659694770 415334292 /nfs/dbraw/zinc/33/42/92/415334292.db2.gz PEKOVPUSEURIKN-UHFFFAOYSA-N 2 0 339.440 -1.346 20 0 EAADRP CN1CCN(C(=O)CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659695340 415334835 /nfs/dbraw/zinc/33/48/35/415334835.db2.gz VAZDQNWXHAFGNV-UHFFFAOYSA-N 2 0 337.424 -1.865 20 0 EAADRP CN1CCN(C(=O)CCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659695478 415336088 /nfs/dbraw/zinc/33/60/88/415336088.db2.gz YDCVGRPEXMBERE-UHFFFAOYSA-N 2 0 337.424 -1.784 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000659697129 415336710 /nfs/dbraw/zinc/33/67/10/415336710.db2.gz SYHKFTXFKSZIGY-NEPJUHHUSA-N 2 0 327.429 -1.586 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000659697133 415336829 /nfs/dbraw/zinc/33/68/29/415336829.db2.gz SYHKFTXFKSZIGY-NWDGAFQWSA-N 2 0 327.429 -1.586 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000659697137 415334398 /nfs/dbraw/zinc/33/43/98/415334398.db2.gz SYHKFTXFKSZIGY-RYUDHWBXSA-N 2 0 327.429 -1.586 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000659697140 415335569 /nfs/dbraw/zinc/33/55/69/415335569.db2.gz SYHKFTXFKSZIGY-VXGBXAGGSA-N 2 0 327.429 -1.586 20 0 EAADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000659697240 415140305 /nfs/dbraw/zinc/14/03/05/415140305.db2.gz VIBCXMSRZWVUEL-GFCCVEGCSA-N 2 0 341.456 -1.114 20 0 EAADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000659697242 415139608 /nfs/dbraw/zinc/13/96/08/415139608.db2.gz VIBCXMSRZWVUEL-LBPRGKRZSA-N 2 0 341.456 -1.114 20 0 EAADRP CC[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000659698201 415335893 /nfs/dbraw/zinc/33/58/93/415335893.db2.gz ATWOXVAFUZZEMN-UHFFFAOYSA-N 2 0 336.396 -1.142 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000659699704 415334960 /nfs/dbraw/zinc/33/49/60/415334960.db2.gz UKIISXAMCFXOPZ-CHWSQXEVSA-N 2 0 341.456 -1.231 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000659699705 415336642 /nfs/dbraw/zinc/33/66/42/415336642.db2.gz UKIISXAMCFXOPZ-OLZOCXBDSA-N 2 0 341.456 -1.231 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000659699706 415334058 /nfs/dbraw/zinc/33/40/58/415334058.db2.gz UKIISXAMCFXOPZ-QWHCGFSZSA-N 2 0 341.456 -1.231 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000659699707 415335715 /nfs/dbraw/zinc/33/57/15/415335715.db2.gz UKIISXAMCFXOPZ-STQMWFEESA-N 2 0 341.456 -1.231 20 0 EAADRP CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659700940 415336666 /nfs/dbraw/zinc/33/66/66/415336666.db2.gz BSCJWMJQIMONKO-GFCCVEGCSA-N 2 0 341.456 -1.183 20 0 EAADRP CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659700941 415336119 /nfs/dbraw/zinc/33/61/19/415336119.db2.gz BSCJWMJQIMONKO-LBPRGKRZSA-N 2 0 341.456 -1.183 20 0 EAADRP C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000659708957 415336368 /nfs/dbraw/zinc/33/63/68/415336368.db2.gz ATVVXPUXKRPNKS-CBCUQQMYSA-N 2 0 337.468 -1.146 20 0 EAADRP C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000659708958 415336871 /nfs/dbraw/zinc/33/68/71/415336871.db2.gz ATVVXPUXKRPNKS-TUBUQKNSSA-N 2 0 337.468 -1.146 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000659708993 415336488 /nfs/dbraw/zinc/33/64/88/415336488.db2.gz CJVKUCZOQJMUGU-BFHYXJOUSA-N 2 0 343.447 -1.116 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000659708994 415334165 /nfs/dbraw/zinc/33/41/65/415334165.db2.gz CJVKUCZOQJMUGU-MGPQQGTHSA-N 2 0 343.447 -1.116 20 0 EAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000659709373 415335467 /nfs/dbraw/zinc/33/54/67/415335467.db2.gz CWJHAYXRTGKPTH-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000659709375 415335995 /nfs/dbraw/zinc/33/59/95/415335995.db2.gz CWJHAYXRTGKPTH-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC[NH3+])C1 ZINC000659709470 415336249 /nfs/dbraw/zinc/33/62/49/415336249.db2.gz JGZOVSJDCLOJJT-HNNXBMFYSA-N 2 0 333.436 -1.006 20 0 EAADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC[NH3+])C1 ZINC000659709471 415333913 /nfs/dbraw/zinc/33/39/13/415333913.db2.gz JGZOVSJDCLOJJT-OAHLLOKOSA-N 2 0 333.436 -1.006 20 0 EAADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659709754 415335279 /nfs/dbraw/zinc/33/52/79/415335279.db2.gz IIVSEWQHUZDOTN-AWEZNQCLSA-N 2 0 339.440 -2.059 20 0 EAADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659709758 415336031 /nfs/dbraw/zinc/33/60/31/415336031.db2.gz IIVSEWQHUZDOTN-CQSZACIVSA-N 2 0 339.440 -2.059 20 0 EAADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659710115 415336545 /nfs/dbraw/zinc/33/65/45/415336545.db2.gz MUJIXMLTNLNEEK-CYBMUJFWSA-N 2 0 325.457 -1.003 20 0 EAADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659710116 415335372 /nfs/dbraw/zinc/33/53/72/415335372.db2.gz MUJIXMLTNLNEEK-ZDUSSCGKSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C[NH+]1CCN(C)CC1 ZINC000659711150 415336202 /nfs/dbraw/zinc/33/62/02/415336202.db2.gz XEFFUMSYKCTZJK-CBCUQQMYSA-N 2 0 337.468 -1.064 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C[NH+]1CCN(C)CC1 ZINC000659711151 415335941 /nfs/dbraw/zinc/33/59/41/415335941.db2.gz XEFFUMSYKCTZJK-TUBUQKNSSA-N 2 0 337.468 -1.064 20 0 EAADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659715140 415152444 /nfs/dbraw/zinc/15/24/44/415152444.db2.gz OIVSTVIXJUJLDU-GFCCVEGCSA-N 2 0 339.440 -1.477 20 0 EAADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659715141 415151489 /nfs/dbraw/zinc/15/14/89/415151489.db2.gz OIVSTVIXJUJLDU-LBPRGKRZSA-N 2 0 339.440 -1.477 20 0 EAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659715677 415334329 /nfs/dbraw/zinc/33/43/29/415334329.db2.gz RFPAJGGKRMFDTB-GFCCVEGCSA-N 2 0 325.413 -1.865 20 0 EAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659715678 415334873 /nfs/dbraw/zinc/33/48/73/415334873.db2.gz RFPAJGGKRMFDTB-LBPRGKRZSA-N 2 0 325.413 -1.865 20 0 EAADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659728947 415158229 /nfs/dbraw/zinc/15/82/29/415158229.db2.gz PJCZIYIVLSEIQX-CHWSQXEVSA-N 2 0 326.397 -1.976 20 0 EAADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659728948 415156698 /nfs/dbraw/zinc/15/66/98/415156698.db2.gz PJCZIYIVLSEIQX-OLZOCXBDSA-N 2 0 326.397 -1.976 20 0 EAADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659728949 415156018 /nfs/dbraw/zinc/15/60/18/415156018.db2.gz PJCZIYIVLSEIQX-QWHCGFSZSA-N 2 0 326.397 -1.976 20 0 EAADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659728950 415158164 /nfs/dbraw/zinc/15/81/64/415158164.db2.gz PJCZIYIVLSEIQX-STQMWFEESA-N 2 0 326.397 -1.976 20 0 EAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCO1 ZINC000659729358 415339032 /nfs/dbraw/zinc/33/90/32/415339032.db2.gz QZOQLJHZEQLWFZ-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCO1 ZINC000659729359 415337598 /nfs/dbraw/zinc/33/75/98/415337598.db2.gz QZOQLJHZEQLWFZ-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCO1 ZINC000659729361 415339496 /nfs/dbraw/zinc/33/94/96/415339496.db2.gz QZOQLJHZEQLWFZ-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCO1 ZINC000659729362 415338010 /nfs/dbraw/zinc/33/80/10/415338010.db2.gz QZOQLJHZEQLWFZ-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742935 415343852 /nfs/dbraw/zinc/34/38/52/415343852.db2.gz WNBDRXDLPRMZQR-UHFFFAOYSA-N 3 0 325.457 -1.194 20 0 EAADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747400 415343645 /nfs/dbraw/zinc/34/36/45/415343645.db2.gz DKFBQRBXOPCRSS-LLVKDONJSA-N 2 0 336.396 -1.142 20 0 EAADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747548 415343671 /nfs/dbraw/zinc/34/36/71/415343671.db2.gz DKFBQRBXOPCRSS-NSHDSACASA-N 2 0 336.396 -1.142 20 0 EAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659747836 415343938 /nfs/dbraw/zinc/34/39/38/415343938.db2.gz KNTXLVXWGDOFKA-LLVKDONJSA-N 2 0 336.396 -1.190 20 0 EAADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659747837 415343347 /nfs/dbraw/zinc/34/33/47/415343347.db2.gz KNTXLVXWGDOFKA-NSHDSACASA-N 2 0 336.396 -1.190 20 0 EAADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659749103 415342835 /nfs/dbraw/zinc/34/28/35/415342835.db2.gz RXJUFKQIECQHGQ-UHFFFAOYSA-N 2 0 336.396 -1.189 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000659750422 415343098 /nfs/dbraw/zinc/34/30/98/415343098.db2.gz OHIGJWYBZYCMJR-CHWSQXEVSA-N 2 0 339.440 -1.525 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000659750425 415343717 /nfs/dbraw/zinc/34/37/17/415343717.db2.gz OHIGJWYBZYCMJR-OLZOCXBDSA-N 2 0 339.440 -1.525 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000659750427 415342914 /nfs/dbraw/zinc/34/29/14/415342914.db2.gz OHIGJWYBZYCMJR-QWHCGFSZSA-N 2 0 339.440 -1.525 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000659750430 415343478 /nfs/dbraw/zinc/34/34/78/415343478.db2.gz OHIGJWYBZYCMJR-STQMWFEESA-N 2 0 339.440 -1.525 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659750549 415341891 /nfs/dbraw/zinc/34/18/91/415341891.db2.gz OPOJNIAOHYHUGQ-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659750555 415344099 /nfs/dbraw/zinc/34/40/99/415344099.db2.gz OPOJNIAOHYHUGQ-ZDUSSCGKSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659751570 415158966 /nfs/dbraw/zinc/15/89/66/415158966.db2.gz VUSNBXNDVSRXJT-CYBMUJFWSA-N 2 0 341.456 -1.277 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659751574 415159947 /nfs/dbraw/zinc/15/99/47/415159947.db2.gz VUSNBXNDVSRXJT-ZDUSSCGKSA-N 2 0 341.456 -1.277 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659755520 415160600 /nfs/dbraw/zinc/16/06/00/415160600.db2.gz YNBHBFMYPNKZPK-KBPBESRZSA-N 2 0 325.457 -1.051 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659755524 415161573 /nfs/dbraw/zinc/16/15/73/415161573.db2.gz YNBHBFMYPNKZPK-KGLIPLIRSA-N 2 0 325.457 -1.051 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659755529 415160676 /nfs/dbraw/zinc/16/06/76/415160676.db2.gz YNBHBFMYPNKZPK-UONOGXRCSA-N 2 0 325.457 -1.051 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659755534 415162830 /nfs/dbraw/zinc/16/28/30/415162830.db2.gz YNBHBFMYPNKZPK-ZIAGYGMSSA-N 2 0 325.457 -1.051 20 0 EAADRP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000662317332 415352464 /nfs/dbraw/zinc/35/24/64/415352464.db2.gz WRWYBHCYWCUHTM-XQQFMLRXSA-N 2 0 331.438 -1.448 20 0 EAADRP [NH3+]CCn1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1 ZINC000662444870 415351573 /nfs/dbraw/zinc/35/15/73/415351573.db2.gz MGZOQTYKYFHNQD-UHFFFAOYSA-N 2 0 335.412 -1.383 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662446098 414831160 /nfs/dbraw/zinc/83/11/60/414831160.db2.gz XBAXBTODUJTVAX-UHFFFAOYSA-N 2 0 337.428 -1.137 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662659963 415353447 /nfs/dbraw/zinc/35/34/47/415353447.db2.gz RGHALXWOFUDQRI-CYBMUJFWSA-N 2 0 341.456 -1.277 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662659965 415352184 /nfs/dbraw/zinc/35/21/84/415352184.db2.gz RGHALXWOFUDQRI-ZDUSSCGKSA-N 2 0 341.456 -1.277 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662660353 415353151 /nfs/dbraw/zinc/35/31/51/415353151.db2.gz UUPAAHDCSXIYQD-GFCCVEGCSA-N 2 0 327.429 -1.667 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662660354 415353041 /nfs/dbraw/zinc/35/30/41/415353041.db2.gz UUPAAHDCSXIYQD-LBPRGKRZSA-N 2 0 327.429 -1.667 20 0 EAADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1(O)C[NH2+]C1 ZINC000662755846 415354887 /nfs/dbraw/zinc/35/48/87/415354887.db2.gz CQYIDVUQHAPFOD-UHFFFAOYSA-N 2 0 334.424 -1.171 20 0 EAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662873586 414839048 /nfs/dbraw/zinc/83/90/48/414839048.db2.gz IPAUUIRRWANTOQ-AWEZNQCLSA-N 2 0 329.445 -1.436 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000662929575 415360556 /nfs/dbraw/zinc/36/05/56/415360556.db2.gz CBLQOQHIUPYVHL-UHFFFAOYSA-N 2 0 339.440 -1.440 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662929910 415359245 /nfs/dbraw/zinc/35/92/45/415359245.db2.gz JIEWPIJGXGVBQQ-UHFFFAOYSA-N 3 0 325.457 -1.112 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662930349 415360022 /nfs/dbraw/zinc/36/00/22/415360022.db2.gz OYLCTZSTNVQOJJ-CHWSQXEVSA-N 3 0 331.436 -1.164 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930881 414838137 /nfs/dbraw/zinc/83/81/37/414838137.db2.gz YMEGAFGPANWPNR-UHFFFAOYSA-N 2 0 341.456 -1.194 20 0 EAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662934437 415358483 /nfs/dbraw/zinc/35/84/83/415358483.db2.gz VEVAAOSQZTYULH-ZIAGYGMSSA-N 2 0 343.447 -1.020 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000662940788 415358468 /nfs/dbraw/zinc/35/84/68/415358468.db2.gz PTHMYOKVKXOVFG-CYBMUJFWSA-N 2 0 339.440 -1.441 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000662940789 415357721 /nfs/dbraw/zinc/35/77/21/415357721.db2.gz PTHMYOKVKXOVFG-ZDUSSCGKSA-N 2 0 339.440 -1.441 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662945631 415359850 /nfs/dbraw/zinc/35/98/50/415359850.db2.gz GDEIJGGADCGVPF-JTQLQIEISA-N 2 0 336.396 -1.333 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662945634 415359394 /nfs/dbraw/zinc/35/93/94/415359394.db2.gz GDEIJGGADCGVPF-SNVBAGLBSA-N 2 0 336.396 -1.333 20 0 EAADRP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000662948206 415358891 /nfs/dbraw/zinc/35/88/91/415358891.db2.gz HTRZJTJDBYIGBF-CYBMUJFWSA-N 2 0 348.407 -1.209 20 0 EAADRP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000662948207 415358254 /nfs/dbraw/zinc/35/82/54/415358254.db2.gz HTRZJTJDBYIGBF-ZDUSSCGKSA-N 2 0 348.407 -1.209 20 0 EAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000662953022 415358568 /nfs/dbraw/zinc/35/85/68/415358568.db2.gz JODZDZPHGRYDQG-KBPBESRZSA-N 2 0 342.440 -1.258 20 0 EAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000662953023 415358950 /nfs/dbraw/zinc/35/89/50/415358950.db2.gz JODZDZPHGRYDQG-KGLIPLIRSA-N 2 0 342.440 -1.258 20 0 EAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCO1 ZINC000662953024 415360072 /nfs/dbraw/zinc/36/00/72/415360072.db2.gz JODZDZPHGRYDQG-UONOGXRCSA-N 2 0 342.440 -1.258 20 0 EAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCO1 ZINC000662953026 415360425 /nfs/dbraw/zinc/36/04/25/415360425.db2.gz JODZDZPHGRYDQG-ZIAGYGMSSA-N 2 0 342.440 -1.258 20 0 EAADRP CC1(C)CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCN1CCO ZINC000662990178 415362332 /nfs/dbraw/zinc/36/23/32/415362332.db2.gz PASMZVHOMCZPKS-VXGBXAGGSA-N 2 0 330.404 -1.201 20 0 EAADRP O=C(N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1(O)C[NH2+]C1 ZINC000663016150 415361195 /nfs/dbraw/zinc/36/11/95/415361195.db2.gz ANPPJVGPULNOAU-GFCCVEGCSA-N 2 0 334.424 -1.140 20 0 EAADRP O=C(N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1(O)C[NH2+]C1 ZINC000663016151 415361067 /nfs/dbraw/zinc/36/10/67/415361067.db2.gz ANPPJVGPULNOAU-LBPRGKRZSA-N 2 0 334.424 -1.140 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000664082552 415367890 /nfs/dbraw/zinc/36/78/90/415367890.db2.gz HWQKWWJOKKVUKR-AWEZNQCLSA-N 2 0 342.488 -1.106 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000664082553 415368420 /nfs/dbraw/zinc/36/84/20/415368420.db2.gz HWQKWWJOKKVUKR-CQSZACIVSA-N 2 0 342.488 -1.106 20 0 EAADRP C[NH+](C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1O ZINC000664173816 415368755 /nfs/dbraw/zinc/36/87/55/415368755.db2.gz HERBQIMJZCSDHS-IHRRRGAJSA-N 2 0 341.456 -1.110 20 0 EAADRP C[NH+](C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1O ZINC000664173817 415368640 /nfs/dbraw/zinc/36/86/40/415368640.db2.gz HERBQIMJZCSDHS-RDBSUJKOSA-N 2 0 341.456 -1.110 20 0 EAADRP C[C@H](O)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000666493798 414907915 /nfs/dbraw/zinc/90/79/15/414907915.db2.gz GKXDNXJBQKZAFJ-KBPBESRZSA-N 2 0 344.456 -1.454 20 0 EAADRP C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000666493804 414907203 /nfs/dbraw/zinc/90/72/03/414907203.db2.gz GKXDNXJBQKZAFJ-KGLIPLIRSA-N 2 0 344.456 -1.454 20 0 EAADRP C[C@H](O)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000666493806 414908671 /nfs/dbraw/zinc/90/86/71/414908671.db2.gz GKXDNXJBQKZAFJ-UONOGXRCSA-N 2 0 344.456 -1.454 20 0 EAADRP C[C@@H](O)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000666493807 414907878 /nfs/dbraw/zinc/90/78/78/414907878.db2.gz GKXDNXJBQKZAFJ-ZIAGYGMSSA-N 2 0 344.456 -1.454 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000668751609 545660347 /nfs/dbraw/zinc/66/03/47/545660347.db2.gz XHVJYDGYRBBMGR-AWEZNQCLSA-N 2 0 342.440 -1.386 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668751615 545660934 /nfs/dbraw/zinc/66/09/34/545660934.db2.gz XHVJYDGYRBBMGR-CQSZACIVSA-N 2 0 342.440 -1.386 20 0 EAADRP CCN(C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](C)C1 ZINC000668893575 545665075 /nfs/dbraw/zinc/66/50/75/545665075.db2.gz QGRYNGAWICPVPS-KBPBESRZSA-N 2 0 325.457 -1.099 20 0 EAADRP CCN(C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](C)C1 ZINC000668893578 545665607 /nfs/dbraw/zinc/66/56/07/545665607.db2.gz QGRYNGAWICPVPS-KGLIPLIRSA-N 2 0 325.457 -1.099 20 0 EAADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](C)C1 ZINC000668893580 545665321 /nfs/dbraw/zinc/66/53/21/545665321.db2.gz QGRYNGAWICPVPS-UONOGXRCSA-N 2 0 325.457 -1.099 20 0 EAADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](C)C1 ZINC000668893581 545665483 /nfs/dbraw/zinc/66/54/83/545665483.db2.gz QGRYNGAWICPVPS-ZIAGYGMSSA-N 2 0 325.457 -1.099 20 0 EAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000668894117 545664994 /nfs/dbraw/zinc/66/49/94/545664994.db2.gz VPXDAYRQLXLYGO-KBPBESRZSA-N 2 0 325.457 -1.051 20 0 EAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000668894118 545664786 /nfs/dbraw/zinc/66/47/86/545664786.db2.gz VPXDAYRQLXLYGO-KGLIPLIRSA-N 2 0 325.457 -1.051 20 0 EAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000668894119 545665238 /nfs/dbraw/zinc/66/52/38/545665238.db2.gz VPXDAYRQLXLYGO-UONOGXRCSA-N 2 0 325.457 -1.051 20 0 EAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000668894120 545665662 /nfs/dbraw/zinc/66/56/62/545665662.db2.gz VPXDAYRQLXLYGO-ZIAGYGMSSA-N 2 0 325.457 -1.051 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000670407639 545706425 /nfs/dbraw/zinc/70/64/25/545706425.db2.gz WHPZVVJKSNOXOR-CABCVRRESA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000670407640 545707007 /nfs/dbraw/zinc/70/70/07/545707007.db2.gz WHPZVVJKSNOXOR-GJZGRUSLSA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000670407641 545706772 /nfs/dbraw/zinc/70/67/72/545706772.db2.gz WHPZVVJKSNOXOR-HUUCEWRRSA-N 2 0 337.468 -1.097 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000670407642 545707055 /nfs/dbraw/zinc/70/70/55/545707055.db2.gz WHPZVVJKSNOXOR-LSDHHAIUSA-N 2 0 337.468 -1.097 20 0 EAADRP C[C@H](NC(=O)C(=O)NCCCN1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000670479773 545709896 /nfs/dbraw/zinc/70/98/96/545709896.db2.gz QTXDBCJZMNDXLQ-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP C[C@@H](NC(=O)C(=O)NCCCN1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000670479774 545709776 /nfs/dbraw/zinc/70/97/76/545709776.db2.gz QTXDBCJZMNDXLQ-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[C@H](NC(=O)C(=O)NCCCN1CCOCC1)[C@H]1CN(C)CCO1 ZINC000670479775 545709398 /nfs/dbraw/zinc/70/93/98/545709398.db2.gz QTXDBCJZMNDXLQ-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP C[C@@H](NC(=O)C(=O)NCCCN1CCOCC1)[C@H]1CN(C)CCO1 ZINC000670479776 545709557 /nfs/dbraw/zinc/70/95/57/545709557.db2.gz QTXDBCJZMNDXLQ-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672307631 545729628 /nfs/dbraw/zinc/72/96/28/545729628.db2.gz HEYJONJXQZCRHP-CABCVRRESA-N 2 0 337.468 -1.051 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672307632 545729698 /nfs/dbraw/zinc/72/96/98/545729698.db2.gz HEYJONJXQZCRHP-GJZGRUSLSA-N 2 0 337.468 -1.051 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672307633 545729842 /nfs/dbraw/zinc/72/98/42/545729842.db2.gz HEYJONJXQZCRHP-HUUCEWRRSA-N 2 0 337.468 -1.051 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672307634 545729290 /nfs/dbraw/zinc/72/92/90/545729290.db2.gz HEYJONJXQZCRHP-LSDHHAIUSA-N 2 0 337.468 -1.051 20 0 EAADRP Cn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)n(C)c1=O ZINC000735045290 583208577 /nfs/dbraw/zinc/20/85/77/583208577.db2.gz YWPMKZKZGLQYTH-UHFFFAOYSA-N 2 0 325.413 -1.351 20 0 EAADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055007 583310360 /nfs/dbraw/zinc/31/03/60/583310360.db2.gz CMPWLSLGNPSXKP-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055008 583310207 /nfs/dbraw/zinc/31/02/07/583310207.db2.gz CMPWLSLGNPSXKP-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055009 583310159 /nfs/dbraw/zinc/31/01/59/583310159.db2.gz CMPWLSLGNPSXKP-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055010 583310535 /nfs/dbraw/zinc/31/05/35/583310535.db2.gz CMPWLSLGNPSXKP-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804057963 583311136 /nfs/dbraw/zinc/31/11/36/583311136.db2.gz RZJKEIYWSFJKTD-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804057964 583310860 /nfs/dbraw/zinc/31/08/60/583310860.db2.gz RZJKEIYWSFJKTD-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804057965 583310938 /nfs/dbraw/zinc/31/09/38/583310938.db2.gz RZJKEIYWSFJKTD-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804057966 583310805 /nfs/dbraw/zinc/31/08/05/583310805.db2.gz RZJKEIYWSFJKTD-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1=O ZINC000808220617 583314989 /nfs/dbraw/zinc/31/49/89/583314989.db2.gz KRBVRFSYFPMQIG-KBPBESRZSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1=O ZINC000808220618 583315072 /nfs/dbraw/zinc/31/50/72/583315072.db2.gz KRBVRFSYFPMQIG-KGLIPLIRSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1=O ZINC000808220619 583314960 /nfs/dbraw/zinc/31/49/60/583314960.db2.gz KRBVRFSYFPMQIG-UONOGXRCSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1=O ZINC000808220620 583315122 /nfs/dbraw/zinc/31/51/22/583315122.db2.gz KRBVRFSYFPMQIG-ZIAGYGMSSA-N 2 0 326.441 -1.031 20 0 EAADRP COC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CS(=O)(=O)C1 ZINC000827892265 583359850 /nfs/dbraw/zinc/35/98/50/583359850.db2.gz JDGRVLTUTWZHDJ-CHWSQXEVSA-N 2 0 347.481 -1.002 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000839286132 583240313 /nfs/dbraw/zinc/24/03/13/583240313.db2.gz LOGXERQSPWHBQB-UHFFFAOYSA-N 2 0 342.440 -1.086 20 0 EAADRP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842014241 583386830 /nfs/dbraw/zinc/38/68/30/583386830.db2.gz ATRXQJOUWJSUEM-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842014242 583386645 /nfs/dbraw/zinc/38/66/45/583386645.db2.gz ATRXQJOUWJSUEM-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842014546 583386712 /nfs/dbraw/zinc/38/67/12/583386712.db2.gz CPMOWZJARLOLAB-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842014558 583386616 /nfs/dbraw/zinc/38/66/16/583386616.db2.gz CPMOWZJARLOLAB-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000848636818 583402958 /nfs/dbraw/zinc/40/29/58/583402958.db2.gz BQLIHFLJIMBEHD-UONOGXRCSA-N 2 0 336.436 -1.134 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[C@H]1F ZINC000851685918 583408773 /nfs/dbraw/zinc/40/87/73/583408773.db2.gz XPNBUFPNRQVEFA-FDYHWXHSSA-N 2 0 328.388 -1.137 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[C@H]1F ZINC000851685935 583408959 /nfs/dbraw/zinc/40/89/59/583408959.db2.gz XPNBUFPNRQVEFA-UMSGYPCISA-N 2 0 328.388 -1.137 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[C@H]1F ZINC000851685938 583408811 /nfs/dbraw/zinc/40/88/11/583408811.db2.gz XPNBUFPNRQVEFA-WUHRBBMRSA-N 2 0 328.388 -1.137 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[C@H]1F ZINC000851685941 583408908 /nfs/dbraw/zinc/40/89/08/583408908.db2.gz XPNBUFPNRQVEFA-YVECIDJPSA-N 2 0 328.388 -1.137 20 0 EAADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2=NO[C@H](C[NH3+])C2)c1 ZINC000852793428 583410381 /nfs/dbraw/zinc/41/03/81/583410381.db2.gz APTCHPILFKLIBU-JTQLQIEISA-N 2 0 341.393 -1.034 20 0 EAADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c1 ZINC000852793429 583410408 /nfs/dbraw/zinc/41/04/08/583410408.db2.gz APTCHPILFKLIBU-SNVBAGLBSA-N 2 0 341.393 -1.034 20 0 EAADRP CCn1ncc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000859329197 583422012 /nfs/dbraw/zinc/42/20/12/583422012.db2.gz MIKXTUBEFPUTRO-UHFFFAOYSA-N 2 0 339.444 -1.134 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861754000 583427364 /nfs/dbraw/zinc/42/73/64/583427364.db2.gz BFIUNPIKBMUTBA-CHWSQXEVSA-N 2 0 328.413 -1.601 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861754002 583427443 /nfs/dbraw/zinc/42/74/43/583427443.db2.gz BFIUNPIKBMUTBA-OLZOCXBDSA-N 2 0 328.413 -1.601 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861754005 583427241 /nfs/dbraw/zinc/42/72/41/583427241.db2.gz BFIUNPIKBMUTBA-QWHCGFSZSA-N 2 0 328.413 -1.601 20 0 EAADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861754008 583427431 /nfs/dbraw/zinc/42/74/31/583427431.db2.gz BFIUNPIKBMUTBA-STQMWFEESA-N 2 0 328.413 -1.601 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000861754663 583427438 /nfs/dbraw/zinc/42/74/38/583427438.db2.gz JPWJDCCEOOHQCT-NEPJUHHUSA-N 2 0 327.429 -1.504 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000861754676 583427306 /nfs/dbraw/zinc/42/73/06/583427306.db2.gz JPWJDCCEOOHQCT-NWDGAFQWSA-N 2 0 327.429 -1.504 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000861754677 583427393 /nfs/dbraw/zinc/42/73/93/583427393.db2.gz JPWJDCCEOOHQCT-RYUDHWBXSA-N 2 0 327.429 -1.504 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000861754678 583427402 /nfs/dbraw/zinc/42/74/02/583427402.db2.gz JPWJDCCEOOHQCT-VXGBXAGGSA-N 2 0 327.429 -1.504 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861755333 583427199 /nfs/dbraw/zinc/42/71/99/583427199.db2.gz NDIOOGLLOYMIOV-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861755334 583427281 /nfs/dbraw/zinc/42/72/81/583427281.db2.gz NDIOOGLLOYMIOV-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861755335 583427824 /nfs/dbraw/zinc/42/78/24/583427824.db2.gz NDIOOGLLOYMIOV-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861755336 583427805 /nfs/dbraw/zinc/42/78/05/583427805.db2.gz NDIOOGLLOYMIOV-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861755744 583427759 /nfs/dbraw/zinc/42/77/59/583427759.db2.gz PJJZBSYPRUYVSU-CHWSQXEVSA-N 2 0 328.413 -1.553 20 0 EAADRP [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861755748 583427719 /nfs/dbraw/zinc/42/77/19/583427719.db2.gz PJJZBSYPRUYVSU-OLZOCXBDSA-N 2 0 328.413 -1.553 20 0 EAADRP [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861755750 583427785 /nfs/dbraw/zinc/42/77/85/583427785.db2.gz PJJZBSYPRUYVSU-QWHCGFSZSA-N 2 0 328.413 -1.553 20 0 EAADRP [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861755752 583427727 /nfs/dbraw/zinc/42/77/27/583427727.db2.gz PJJZBSYPRUYVSU-STQMWFEESA-N 2 0 328.413 -1.553 20 0 EAADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861756384 583427796 /nfs/dbraw/zinc/42/77/96/583427796.db2.gz YPQBTEBUUABTKY-CHWSQXEVSA-N 2 0 328.413 -1.682 20 0 EAADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861756385 583427703 /nfs/dbraw/zinc/42/77/03/583427703.db2.gz YPQBTEBUUABTKY-OLZOCXBDSA-N 2 0 328.413 -1.682 20 0 EAADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861756386 583427767 /nfs/dbraw/zinc/42/77/67/583427767.db2.gz YPQBTEBUUABTKY-QWHCGFSZSA-N 2 0 328.413 -1.682 20 0 EAADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861756387 583427778 /nfs/dbraw/zinc/42/77/78/583427778.db2.gz YPQBTEBUUABTKY-STQMWFEESA-N 2 0 328.413 -1.682 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000861759977 583427715 /nfs/dbraw/zinc/42/77/15/583427715.db2.gz RWVQJXZVUBGNDK-CHWSQXEVSA-N 2 0 341.456 -1.149 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000861759980 583427789 /nfs/dbraw/zinc/42/77/89/583427789.db2.gz RWVQJXZVUBGNDK-OLZOCXBDSA-N 2 0 341.456 -1.149 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000861759981 583427814 /nfs/dbraw/zinc/42/78/14/583427814.db2.gz RWVQJXZVUBGNDK-QWHCGFSZSA-N 2 0 341.456 -1.149 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000861759982 583427751 /nfs/dbraw/zinc/42/77/51/583427751.db2.gz RWVQJXZVUBGNDK-STQMWFEESA-N 2 0 341.456 -1.149 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000863754385 583434533 /nfs/dbraw/zinc/43/45/33/583434533.db2.gz NGAMRSUYGMJCAK-CYBMUJFWSA-N 2 0 339.440 -1.441 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000863754387 583434461 /nfs/dbraw/zinc/43/44/61/583434461.db2.gz NGAMRSUYGMJCAK-ZDUSSCGKSA-N 2 0 339.440 -1.441 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863754813 583434407 /nfs/dbraw/zinc/43/44/07/583434407.db2.gz RUVQVARRSUDVPR-CYBMUJFWSA-N 2 0 341.456 -1.195 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863754814 583434794 /nfs/dbraw/zinc/43/47/94/583434794.db2.gz RUVQVARRSUDVPR-ZDUSSCGKSA-N 2 0 341.456 -1.195 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000863765707 583434979 /nfs/dbraw/zinc/43/49/79/583434979.db2.gz SMHGPAJTIAIICK-CHWSQXEVSA-N 2 0 339.440 -1.443 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000863765708 583434970 /nfs/dbraw/zinc/43/49/70/583434970.db2.gz SMHGPAJTIAIICK-OLZOCXBDSA-N 2 0 339.440 -1.443 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000863765709 583434864 /nfs/dbraw/zinc/43/48/64/583434864.db2.gz SMHGPAJTIAIICK-QWHCGFSZSA-N 2 0 339.440 -1.443 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000863765710 583434820 /nfs/dbraw/zinc/43/48/20/583434820.db2.gz SMHGPAJTIAIICK-STQMWFEESA-N 2 0 339.440 -1.443 20 0 EAADRP CN1C(=O)[C@H]2C[N@@H+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@H]2C1=O ZINC000864352134 583436182 /nfs/dbraw/zinc/43/61/82/583436182.db2.gz SHIPGLPVBKEYES-GRYCIOLGSA-N 2 0 336.392 -1.388 20 0 EAADRP CN1C(=O)[C@H]2C[N@@H+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@H]2C1=O ZINC000864352135 583436377 /nfs/dbraw/zinc/43/63/77/583436377.db2.gz SHIPGLPVBKEYES-TUAOUCFPSA-N 2 0 336.392 -1.388 20 0 EAADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710389 583438672 /nfs/dbraw/zinc/43/86/72/583438672.db2.gz QBENZISQFVEBMX-TUAOUCFPSA-N 2 0 332.426 -1.207 20 0 EAADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710390 583438498 /nfs/dbraw/zinc/43/84/98/583438498.db2.gz QBENZISQFVEBMX-UTUOFQBUSA-N 2 0 332.426 -1.207 20 0 EAADRP O=C(CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH2+]CC1 ZINC000866714694 583438635 /nfs/dbraw/zinc/43/86/35/583438635.db2.gz VKFNSMDGSJUPIK-MCIONIFRSA-N 3 0 337.424 -1.325 20 0 EAADRP O=C(CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH2+]CC1 ZINC000866714695 583438681 /nfs/dbraw/zinc/43/86/81/583438681.db2.gz VKFNSMDGSJUPIK-MJBXVCDLSA-N 3 0 337.424 -1.325 20 0 EAADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH+](C)C ZINC000866786436 583438622 /nfs/dbraw/zinc/43/86/22/583438622.db2.gz SLKBIGAHBUNCHM-KFWWJZLASA-N 3 0 348.513 -1.024 20 0 EAADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH+](C)C ZINC000866786437 583438984 /nfs/dbraw/zinc/43/89/84/583438984.db2.gz SLKBIGAHBUNCHM-RBSFLKMASA-N 3 0 348.513 -1.024 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCNC(=O)C2)C[C@H]1C[NH+](C)C ZINC000867287305 583387013 /nfs/dbraw/zinc/38/70/13/583387013.db2.gz FKYNMMUUFICQKA-CHWSQXEVSA-N 2 0 339.440 -1.857 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000867627724 583439494 /nfs/dbraw/zinc/43/94/94/583439494.db2.gz KWOMVWHTIQMFLO-BARDWOONSA-N 2 0 336.436 -1.184 20 0 EAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000867627742 583439425 /nfs/dbraw/zinc/43/94/25/583439425.db2.gz KWOMVWHTIQMFLO-BYNSBNAKSA-N 2 0 336.436 -1.184 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000867627745 583439455 /nfs/dbraw/zinc/43/94/55/583439455.db2.gz KWOMVWHTIQMFLO-LXTVHRRPSA-N 2 0 336.436 -1.184 20 0 EAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000867627747 583439483 /nfs/dbraw/zinc/43/94/83/583439483.db2.gz KWOMVWHTIQMFLO-XQLPTFJDSA-N 2 0 336.436 -1.184 20 0 EAADRP CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867676529 583439384 /nfs/dbraw/zinc/43/93/84/583439384.db2.gz QGMFOUKKMKYEPA-HUUCEWRRSA-N 3 0 339.484 -1.042 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000868385129 583441780 /nfs/dbraw/zinc/44/17/80/583441780.db2.gz KQHXODVTGJDLDA-ZIAGYGMSSA-N 3 0 325.457 -1.384 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868387843 583442270 /nfs/dbraw/zinc/44/22/70/583442270.db2.gz UENHKQLMXGOOFZ-MCIONIFRSA-N 3 0 325.457 -1.256 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868387846 583442187 /nfs/dbraw/zinc/44/21/87/583442187.db2.gz UENHKQLMXGOOFZ-MGPQQGTHSA-N 3 0 325.457 -1.256 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1[NH3+] ZINC000868390393 583442185 /nfs/dbraw/zinc/44/21/85/583442185.db2.gz IWQZHLXLASWEAV-KBUPBQIOSA-N 3 0 339.484 -1.010 20 0 EAADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868391019 583442144 /nfs/dbraw/zinc/44/21/44/583442144.db2.gz RQKHSTFADDSBLH-BFHYXJOUSA-N 3 0 327.473 -1.010 20 0 EAADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868391035 583442253 /nfs/dbraw/zinc/44/22/53/583442253.db2.gz RQKHSTFADDSBLH-MGPQQGTHSA-N 3 0 327.473 -1.010 20 0 EAADRP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868391807 583442249 /nfs/dbraw/zinc/44/22/49/583442249.db2.gz YEDCGSZOCIFZFI-ZIAGYGMSSA-N 3 0 327.473 -1.138 20 0 EAADRP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868397228 583442155 /nfs/dbraw/zinc/44/21/55/583442155.db2.gz YIOWBNIIGMCVEQ-ZIAGYGMSSA-N 3 0 327.473 -1.009 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868397639 583442313 /nfs/dbraw/zinc/44/23/13/583442313.db2.gz ZCAJHBLLWJITSW-BFHYXJOUSA-N 3 0 327.473 -1.010 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868397640 583442093 /nfs/dbraw/zinc/44/20/93/583442093.db2.gz ZCAJHBLLWJITSW-MGPQQGTHSA-N 3 0 327.473 -1.010 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H]1C[NH+](C)C ZINC000868397822 583442219 /nfs/dbraw/zinc/44/22/19/583442219.db2.gz COIKRBSEOWARQO-KBXIAJHMSA-N 3 0 337.468 -1.243 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868399002 583442159 /nfs/dbraw/zinc/44/21/59/583442159.db2.gz ZMJBIMUYFFBLOO-ZIAGYGMSSA-N 3 0 327.473 -1.009 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@H]1C[NH+](C)C ZINC000870017726 583443803 /nfs/dbraw/zinc/44/38/03/583443803.db2.gz FONBMYZQCJRVLH-OXGONZEZSA-N 2 0 341.452 -1.403 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C[NH+](C)C ZINC000870018913 583444101 /nfs/dbraw/zinc/44/41/01/583444101.db2.gz ZGPPYAQMJCGWCQ-UTUOFQBUSA-N 2 0 325.413 -1.218 20 0 EAADRP CNS(=O)(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019001 583443775 /nfs/dbraw/zinc/44/37/75/583443775.db2.gz MEEKTZUVWZQAHS-VXGBXAGGSA-N 2 0 335.474 -1.762 20 0 EAADRP CN1CCN(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000870019923 583443969 /nfs/dbraw/zinc/44/39/69/583443969.db2.gz VYCTYZXKOWDOTC-HUUCEWRRSA-N 2 0 339.484 -1.042 20 0 EAADRP O=C(N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000870996689 583444980 /nfs/dbraw/zinc/44/49/80/583444980.db2.gz FQSKWDUDYXFNIF-DJUFWWRVSA-N 2 0 336.392 -1.384 20 0 EAADRP O=C(N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000870996690 583445007 /nfs/dbraw/zinc/44/50/07/583445007.db2.gz FQSKWDUDYXFNIF-ZWEPEPIOSA-N 2 0 336.392 -1.384 20 0 EAADRP Cc1nonc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000872856129 583447183 /nfs/dbraw/zinc/44/71/83/583447183.db2.gz VNOZNKKVNITPJX-UHFFFAOYSA-N 2 0 326.401 -1.054 20 0 EAADRP CN(C)C(=O)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000873982297 583447810 /nfs/dbraw/zinc/44/78/10/583447810.db2.gz HAZUNZAPFFXWRU-CHWSQXEVSA-N 2 0 341.456 -1.611 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000875049333 583448664 /nfs/dbraw/zinc/44/86/64/583448664.db2.gz AINBYUOROKNEGO-CHWSQXEVSA-N 2 0 349.501 -1.084 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000875209275 583449179 /nfs/dbraw/zinc/44/91/79/583449179.db2.gz OLVBMWSJGGCQBX-KFWWJZLASA-N 2 0 337.468 -1.099 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000875209276 583449205 /nfs/dbraw/zinc/44/92/05/583449205.db2.gz OLVBMWSJGGCQBX-RBSFLKMASA-N 2 0 337.468 -1.099 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000875209277 583449018 /nfs/dbraw/zinc/44/90/18/583449018.db2.gz OLVBMWSJGGCQBX-RRFJBIMHSA-N 2 0 337.468 -1.099 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000875209278 583449254 /nfs/dbraw/zinc/44/92/54/583449254.db2.gz OLVBMWSJGGCQBX-ZNMIVQPWSA-N 2 0 337.468 -1.099 20 0 EAADRP CNS(=O)(=O)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875521552 583449077 /nfs/dbraw/zinc/44/90/77/583449077.db2.gz OSRGCVLTYXHTSN-CHWSQXEVSA-N 2 0 349.501 -1.084 20 0 EAADRP COC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[NH2+]CCO1 ZINC000876782360 583452085 /nfs/dbraw/zinc/45/20/85/583452085.db2.gz PGUHLXPEIMNNNN-GDBMZVCRSA-N 2 0 328.457 -1.009 20 0 EAADRP COC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[NH2+]CCO1 ZINC000876782361 583452206 /nfs/dbraw/zinc/45/22/06/583452206.db2.gz PGUHLXPEIMNNNN-GOEBONIOSA-N 2 0 328.457 -1.009 20 0 EAADRP COC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[NH2+]CCO1 ZINC000876782363 583452100 /nfs/dbraw/zinc/45/21/00/583452100.db2.gz PGUHLXPEIMNNNN-HOCLYGCPSA-N 2 0 328.457 -1.009 20 0 EAADRP COC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[NH2+]CCO1 ZINC000876782365 583452196 /nfs/dbraw/zinc/45/21/96/583452196.db2.gz PGUHLXPEIMNNNN-ZBFHGGJFSA-N 2 0 328.457 -1.009 20 0 EAADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876994233 583452943 /nfs/dbraw/zinc/45/29/43/583452943.db2.gz DSVIDTZAFCCOFJ-AWEZNQCLSA-N 2 0 339.440 -1.076 20 0 EAADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876994234 583452929 /nfs/dbraw/zinc/45/29/29/583452929.db2.gz DSVIDTZAFCCOFJ-CQSZACIVSA-N 2 0 339.440 -1.076 20 0 EAADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876996204 583452789 /nfs/dbraw/zinc/45/27/89/583452789.db2.gz PIRZRPKHQJHVBN-UHFFFAOYSA-N 2 0 347.423 -1.162 20 0 EAADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1(F)F ZINC000876997157 583452967 /nfs/dbraw/zinc/45/29/67/583452967.db2.gz OTTKGLBVHQQHOL-GHMZBOCLSA-N 2 0 331.367 -1.004 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCNCC2=O)C[C@H]1C[NH+](C)C ZINC000877143151 583453018 /nfs/dbraw/zinc/45/30/18/583453018.db2.gz FYTBOAQPLMHILI-ZIAGYGMSSA-N 2 0 325.457 -1.384 20 0 EAADRP C[NH+](C)CC(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877958504 583453292 /nfs/dbraw/zinc/45/32/92/583453292.db2.gz KOVPKRFBCYTZHJ-UHFFFAOYSA-N 2 0 325.457 -1.097 20 0 EAADRP C[NH+](C)CCN1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1=O ZINC000878803157 583454194 /nfs/dbraw/zinc/45/41/94/583454194.db2.gz XJPMVYBJUQBLLZ-UHFFFAOYSA-N 2 0 325.457 -1.097 20 0 EAADRP CN1C(=O)[C@H]2C[NH+](CCC[N@H+]3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)C[C@H]2C1=O ZINC000879533155 583454753 /nfs/dbraw/zinc/45/47/53/583454753.db2.gz ASZVWODYIFFESG-MPZDIEGVSA-N 2 0 348.403 -1.530 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](CO)[C@H](CO)C2)C1 ZINC000879693716 583455211 /nfs/dbraw/zinc/45/52/11/583455211.db2.gz UKWMTJJIIFZVJB-OWCLPIDISA-N 2 0 343.468 -1.008 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H](CO)[C@H](CO)C2)C1 ZINC000879693717 583455229 /nfs/dbraw/zinc/45/52/29/583455229.db2.gz UKWMTJJIIFZVJB-XHSDSOJGSA-N 2 0 343.468 -1.008 20 0 EAADRP COC(=O)[C@]1(O)CC[NH+](CCCC[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564398 583456854 /nfs/dbraw/zinc/45/68/54/583456854.db2.gz LSEGLJFQBONXGH-HOTGVXAUSA-N 2 0 344.408 -1.014 20 0 EAADRP COC(=O)[C@@]1(O)CC[NH+](CCCC[N@H+]2CC[C@](O)(C(=O)OC)C2)C1 ZINC000880564399 583456872 /nfs/dbraw/zinc/45/68/72/583456872.db2.gz LSEGLJFQBONXGH-HZPDHXFCSA-N 2 0 344.408 -1.014 20 0 EAADRP COC(=O)[C@@]1(O)CC[NH+](CCCC[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564400 583456565 /nfs/dbraw/zinc/45/65/65/583456565.db2.gz LSEGLJFQBONXGH-IYBDPMFKSA-N 2 0 344.408 -1.014 20 0 EAADRP COC(=O)[C@]1(O)CC[NH+](C/C=C\C[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565734 583456733 /nfs/dbraw/zinc/45/67/33/583456733.db2.gz GYWHEHOGFTTYSK-HFZJXRFXSA-N 2 0 342.392 -1.238 20 0 EAADRP COC(=O)[C@]1(O)CC[NH+](C/C=C/C[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565735 583456523 /nfs/dbraw/zinc/45/65/23/583456523.db2.gz GYWHEHOGFTTYSK-PIGHNIFASA-N 2 0 342.392 -1.238 20 0 EAADRP COC(=O)[C@@]1(O)CC[NH+](C/C=C\C[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565736 583456761 /nfs/dbraw/zinc/45/67/61/583456761.db2.gz GYWHEHOGFTTYSK-SSGMOAHOSA-N 2 0 342.392 -1.238 20 0 EAADRP COC(=O)[C@@]1(O)CC[NH+](C/C=C/C[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565737 583456805 /nfs/dbraw/zinc/45/68/05/583456805.db2.gz GYWHEHOGFTTYSK-ZOSBBBERSA-N 2 0 342.392 -1.238 20 0 EAADRP CN(CCNS(=O)(=O)C[C@H]1CN(C)CCO1)CCOCCO ZINC000882753987 583459647 /nfs/dbraw/zinc/45/96/47/583459647.db2.gz DKDSFPVVLUIPAW-CYBMUJFWSA-N 2 0 339.458 -1.823 20 0 EAADRP CN(CCNS(=O)(=O)C[C@@H]1CN(C)CCO1)CCOCCO ZINC000882753988 583459624 /nfs/dbraw/zinc/45/96/24/583459624.db2.gz DKDSFPVVLUIPAW-ZDUSSCGKSA-N 2 0 339.458 -1.823 20 0 EAADRP O=C(CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH2+]CC1 ZINC000884016160 583461421 /nfs/dbraw/zinc/46/14/21/583461421.db2.gz PANZBHDRISWEKK-UHFFFAOYSA-N 2 0 332.408 -1.347 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000884669681 583464383 /nfs/dbraw/zinc/46/43/83/583464383.db2.gz CVZGAEAWSXBNSW-UONOGXRCSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000884669682 583464553 /nfs/dbraw/zinc/46/45/53/583464553.db2.gz CVZGAEAWSXBNSW-ZIAGYGMSSA-N 2 0 325.457 -1.064 20 0 EAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884669833 583464307 /nfs/dbraw/zinc/46/43/07/583464307.db2.gz IBFCTYNLIFWIMA-ILXRZTDVSA-N 2 0 337.468 -1.051 20 0 EAADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884669834 583464448 /nfs/dbraw/zinc/46/44/48/583464448.db2.gz IBFCTYNLIFWIMA-KKUMJFAQSA-N 2 0 337.468 -1.051 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000884670228 583464522 /nfs/dbraw/zinc/46/45/22/583464522.db2.gz SAELBVLASVJNTJ-KFWWJZLASA-N 2 0 337.468 -1.051 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000884670229 583464432 /nfs/dbraw/zinc/46/44/32/583464432.db2.gz SAELBVLASVJNTJ-SOUVJXGZSA-N 2 0 337.468 -1.051 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000884670294 583464586 /nfs/dbraw/zinc/46/45/86/583464586.db2.gz UXSVPTCBHUHMOG-HZSPNIEDSA-N 2 0 325.457 -1.066 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000884670295 583464413 /nfs/dbraw/zinc/46/44/13/583464413.db2.gz UXSVPTCBHUHMOG-MCIONIFRSA-N 2 0 325.457 -1.066 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000884670296 583464575 /nfs/dbraw/zinc/46/45/75/583464575.db2.gz UXSVPTCBHUHMOG-MGPQQGTHSA-N 2 0 325.457 -1.066 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000884670297 583464402 /nfs/dbraw/zinc/46/44/02/583464402.db2.gz UXSVPTCBHUHMOG-RDBSUJKOSA-N 2 0 325.457 -1.066 20 0 EAADRP C[NH2+]CCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884675756 583464532 /nfs/dbraw/zinc/46/45/32/583464532.db2.gz OWWTUSPJNIBSJN-ZIAGYGMSSA-N 3 0 327.473 -1.090 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000884676396 583464470 /nfs/dbraw/zinc/46/44/70/583464470.db2.gz MBZQBFQQRUBYPH-CABCVRRESA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000884676397 583464323 /nfs/dbraw/zinc/46/43/23/583464323.db2.gz MBZQBFQQRUBYPH-GJZGRUSLSA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000884676398 583464421 /nfs/dbraw/zinc/46/44/21/583464421.db2.gz MBZQBFQQRUBYPH-HUUCEWRRSA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000884676399 583464490 /nfs/dbraw/zinc/46/44/90/583464490.db2.gz MBZQBFQQRUBYPH-LSDHHAIUSA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CCC1(C)C ZINC000884677142 583464509 /nfs/dbraw/zinc/46/45/09/583464509.db2.gz IRTCVSDZCDKFFM-UHFFFAOYSA-N 2 0 325.457 -1.050 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884678177 583465009 /nfs/dbraw/zinc/46/50/09/583465009.db2.gz QYEOAYCNHCHBDK-MCIONIFRSA-N 3 0 325.457 -1.338 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884678178 583465097 /nfs/dbraw/zinc/46/50/97/583465097.db2.gz QYEOAYCNHCHBDK-MGPQQGTHSA-N 3 0 325.457 -1.338 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000884679428 583465018 /nfs/dbraw/zinc/46/50/18/583465018.db2.gz HQVUWPKMSBJGIY-CHWSQXEVSA-N 2 0 337.424 -1.913 20 0 EAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000884679429 583465151 /nfs/dbraw/zinc/46/51/51/583465151.db2.gz HQVUWPKMSBJGIY-OLZOCXBDSA-N 2 0 337.424 -1.913 20 0 EAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000884679430 583465065 /nfs/dbraw/zinc/46/50/65/583465065.db2.gz HQVUWPKMSBJGIY-QWHCGFSZSA-N 2 0 337.424 -1.913 20 0 EAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000884679431 583465036 /nfs/dbraw/zinc/46/50/36/583465036.db2.gz HQVUWPKMSBJGIY-STQMWFEESA-N 2 0 337.424 -1.913 20 0 EAADRP C[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCC1(C)C ZINC000884679668 583464986 /nfs/dbraw/zinc/46/49/86/583464986.db2.gz PFBRTFYMLAIKMT-UHFFFAOYSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884687536 583464965 /nfs/dbraw/zinc/46/49/65/583464965.db2.gz ZQCNUXOQIDAGBX-ZIAGYGMSSA-N 3 0 327.473 -1.090 20 0 EAADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884698330 583465006 /nfs/dbraw/zinc/46/50/06/583465006.db2.gz MJSVLYCJNNGEGL-BFHYXJOUSA-N 3 0 327.473 -1.105 20 0 EAADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884698331 583464993 /nfs/dbraw/zinc/46/49/93/583464993.db2.gz MJSVLYCJNNGEGL-MGPQQGTHSA-N 3 0 327.473 -1.105 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)CN)C[C@H]1C[NH+](C)C ZINC000884721999 583465374 /nfs/dbraw/zinc/46/53/74/583465374.db2.gz CJKYTWBDTUTWDR-VXGBXAGGSA-N 2 0 349.426 -1.106 20 0 EAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884797224 583465436 /nfs/dbraw/zinc/46/54/36/583465436.db2.gz QTDYSFGEJLSCDT-BFHYXJOUSA-N 3 0 327.473 -1.092 20 0 EAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884797226 583465580 /nfs/dbraw/zinc/46/55/80/583465580.db2.gz QTDYSFGEJLSCDT-MGPQQGTHSA-N 3 0 327.473 -1.092 20 0 EAADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000885005369 583465996 /nfs/dbraw/zinc/46/59/96/583465996.db2.gz VQZBFVRETRSILD-AIEDFZFUSA-N 2 0 336.436 -1.089 20 0 EAADRP COCCC1(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000891969897 583178829 /nfs/dbraw/zinc/17/88/29/583178829.db2.gz CVBILOYCUHLYBV-UHFFFAOYSA-N 2 0 327.429 -1.124 20 0 EAADRP O=C(CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000891970765 583178840 /nfs/dbraw/zinc/17/88/40/583178840.db2.gz NPPAEKWUBUWKJL-CYBMUJFWSA-N 2 0 339.440 -1.124 20 0 EAADRP O=C(CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000891970766 583178747 /nfs/dbraw/zinc/17/87/47/583178747.db2.gz NPPAEKWUBUWKJL-ZDUSSCGKSA-N 2 0 339.440 -1.124 20 0 EAADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891971701 583178846 /nfs/dbraw/zinc/17/88/46/583178846.db2.gz XUPRCQAXHOVAJS-LBPRGKRZSA-N 2 0 327.429 -1.437 20 0 EAADRP COCC[NH2+]CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892056551 583179132 /nfs/dbraw/zinc/17/91/32/583179132.db2.gz UNDLYSZLQKGXBU-UPJWGTAASA-N 2 0 341.412 -1.201 20 0 EAADRP COCC[NH2+]CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892056552 583179181 /nfs/dbraw/zinc/17/91/81/583179181.db2.gz UNDLYSZLQKGXBU-XQQFMLRXSA-N 2 0 341.412 -1.201 20 0 EAADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892282941 583179455 /nfs/dbraw/zinc/17/94/55/583179455.db2.gz PIDHYHRHEIVIQO-UPJWGTAASA-N 2 0 341.412 -1.201 20 0 EAADRP C[NH2+]CCOCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892282944 583179440 /nfs/dbraw/zinc/17/94/40/583179440.db2.gz PIDHYHRHEIVIQO-XQQFMLRXSA-N 2 0 341.412 -1.201 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCNC1=O ZINC000898696318 583196699 /nfs/dbraw/zinc/19/66/99/583196699.db2.gz FXCDBCWKSREITI-UHFFFAOYSA-N 2 0 342.444 -1.920 20 0 EAADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C2 ZINC000903492099 674086358 /nfs/dbraw/zinc/08/63/58/674086358.db2.gz JMMKGKSHAOQZAP-USBNGQNGSA-N 2 0 336.392 -1.204 20 0 EAADRP O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCNC(=O)C1 ZINC000903511794 674087886 /nfs/dbraw/zinc/08/78/86/674087886.db2.gz ZZEAECHLZKWZDD-GASCZTMLSA-N 2 0 335.452 -1.155 20 0 EAADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CCNC(=O)C1 ZINC000903714071 674095506 /nfs/dbraw/zinc/09/55/06/674095506.db2.gz LXAZHBGVORQNQQ-OKILXGFUSA-N 2 0 349.435 -1.628 20 0 EAADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C2 ZINC000903719558 674095863 /nfs/dbraw/zinc/09/58/63/674095863.db2.gz OIVKVNNACBWSCY-OZVIIMIRSA-N 2 0 340.424 -1.255 20 0 EAADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000903979133 674100334 /nfs/dbraw/zinc/10/03/34/674100334.db2.gz WJYVJMFDWCWNKN-OZVIIMIRSA-N 2 0 336.392 -1.204 20 0 EAADRP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000904336715 669322881 /nfs/dbraw/zinc/32/28/81/669322881.db2.gz JWCYPEHBJRSYMD-OKILXGFUSA-N 2 0 331.486 -1.167 20 0 EAADRP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000904973299 669324180 /nfs/dbraw/zinc/32/41/80/669324180.db2.gz PLNZAAJYHIHRJK-OEUWWYETSA-N 2 0 336.436 -1.006 20 0 EAADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000904973300 669324221 /nfs/dbraw/zinc/32/42/21/669324221.db2.gz PLNZAAJYHIHRJK-SZOQZIPDSA-N 2 0 336.436 -1.006 20 0 EAADRP [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000904973301 669324243 /nfs/dbraw/zinc/32/42/43/669324243.db2.gz PLNZAAJYHIHRJK-UMPJEAMMSA-N 2 0 336.436 -1.006 20 0 EAADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000904973302 669324205 /nfs/dbraw/zinc/32/42/05/669324205.db2.gz PLNZAAJYHIHRJK-ZJOBFFGXSA-N 2 0 336.436 -1.006 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[C@H]1F ZINC000904986124 669325793 /nfs/dbraw/zinc/32/57/93/669325793.db2.gz GVNKKPBETKRHJM-AAVRWANBSA-N 2 0 342.415 -1.058 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[C@H]1F ZINC000904986125 669325762 /nfs/dbraw/zinc/32/57/62/669325762.db2.gz GVNKKPBETKRHJM-MQYQWHSLSA-N 2 0 342.415 -1.058 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[C@H]1F ZINC000904986126 669326753 /nfs/dbraw/zinc/32/67/53/669326753.db2.gz GVNKKPBETKRHJM-SYQHCUMBSA-N 2 0 342.415 -1.058 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[C@H]1F ZINC000904986127 669326320 /nfs/dbraw/zinc/32/63/20/669326320.db2.gz GVNKKPBETKRHJM-YIYPIFLZSA-N 2 0 342.415 -1.058 20 0 EAADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCO1 ZINC000904986257 669326664 /nfs/dbraw/zinc/32/66/64/669326664.db2.gz INYRDUWXXWJOKL-HZSPNIEDSA-N 2 0 340.424 -1.770 20 0 EAADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCO1 ZINC000904986258 669326799 /nfs/dbraw/zinc/32/67/99/669326799.db2.gz INYRDUWXXWJOKL-MCIONIFRSA-N 2 0 340.424 -1.770 20 0 EAADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCO1 ZINC000904986259 669326818 /nfs/dbraw/zinc/32/68/18/669326818.db2.gz INYRDUWXXWJOKL-MGPQQGTHSA-N 2 0 340.424 -1.770 20 0 EAADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCO1 ZINC000904986260 669326712 /nfs/dbraw/zinc/32/67/12/669326712.db2.gz INYRDUWXXWJOKL-RDBSUJKOSA-N 2 0 340.424 -1.770 20 0 EAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)C[C@]2(C)C1 ZINC000904986622 669326788 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COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000905021924 669327476 /nfs/dbraw/zinc/32/74/76/669327476.db2.gz OSMGDYVKYZYZPS-YNEHKIRRSA-N 2 0 326.397 -2.289 20 0 EAADRP CCOC(=O)N1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@@H](CO)C1 ZINC000905705396 669330738 /nfs/dbraw/zinc/33/07/38/669330738.db2.gz YLCOVDGPPLEYKR-ILXRZTDVSA-N 2 0 344.456 -1.367 20 0 EAADRP CCOC(=O)N1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H](CO)C1 ZINC000905705421 669330652 /nfs/dbraw/zinc/33/06/52/669330652.db2.gz YLCOVDGPPLEYKR-KFWWJZLASA-N 2 0 344.456 -1.367 20 0 EAADRP CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000905705424 669330503 /nfs/dbraw/zinc/33/05/03/669330503.db2.gz YLCOVDGPPLEYKR-QLFBSQMISA-N 2 0 344.456 -1.367 20 0 EAADRP CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000905705426 669330604 /nfs/dbraw/zinc/33/06/04/669330604.db2.gz YLCOVDGPPLEYKR-RBSFLKMASA-N 2 0 344.456 -1.367 20 0 EAADRP CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000906081616 669331495 /nfs/dbraw/zinc/33/14/95/669331495.db2.gz GPEIZQKCJVLTDO-UHFFFAOYSA-N 2 0 325.457 -1.288 20 0 EAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000906779370 669332933 /nfs/dbraw/zinc/33/29/33/669332933.db2.gz IEZREAUIMWUMSD-CYBMUJFWSA-N 2 0 338.412 -1.170 20 0 EAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000906779378 669333056 /nfs/dbraw/zinc/33/30/56/669333056.db2.gz IEZREAUIMWUMSD-ZDUSSCGKSA-N 2 0 338.412 -1.170 20 0 EAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000906783913 669332994 /nfs/dbraw/zinc/33/29/94/669332994.db2.gz VBDNGGHMVULXKW-GFCCVEGCSA-N 2 0 338.412 -1.170 20 0 EAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000906783914 669333209 /nfs/dbraw/zinc/33/32/09/669333209.db2.gz VBDNGGHMVULXKW-LBPRGKRZSA-N 2 0 338.412 -1.170 20 0 EAADRP O=C(NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000907352146 669334802 /nfs/dbraw/zinc/33/48/02/669334802.db2.gz 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CC[NH+]1CCC(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911004469 669399684 /nfs/dbraw/zinc/39/96/84/669399684.db2.gz QSYSUENUMGKWIW-UHFFFAOYSA-N 2 0 325.457 -1.144 20 0 EAADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000911004719 669399619 /nfs/dbraw/zinc/39/96/19/669399619.db2.gz RWBRTJLGYSEAMO-AWEZNQCLSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000911004721 669399754 /nfs/dbraw/zinc/39/97/54/669399754.db2.gz RWBRTJLGYSEAMO-CQSZACIVSA-N 2 0 342.440 -1.340 20 0 EAADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911014394 669400675 /nfs/dbraw/zinc/40/06/75/669400675.db2.gz JVUHPAGSLDEYNF-AWEZNQCLSA-N 2 0 325.457 -1.144 20 0 EAADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911014395 669400453 /nfs/dbraw/zinc/40/04/53/669400453.db2.gz JVUHPAGSLDEYNF-CQSZACIVSA-N 2 0 325.457 -1.144 20 0 EAADRP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911015260 669400391 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-1.815 20 0 EAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000911030992 669400659 /nfs/dbraw/zinc/40/06/59/669400659.db2.gz OEUZXBVCLNCOEK-UONOGXRCSA-N 2 0 341.456 -1.815 20 0 EAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000911030993 669400591 /nfs/dbraw/zinc/40/05/91/669400591.db2.gz OEUZXBVCLNCOEK-ZIAGYGMSSA-N 2 0 341.456 -1.815 20 0 EAADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000911031652 669400621 /nfs/dbraw/zinc/40/06/21/669400621.db2.gz SDIDOTZLNVOUCG-KBPBESRZSA-N 2 0 325.457 -1.051 20 0 EAADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000911031653 669400079 /nfs/dbraw/zinc/40/00/79/669400079.db2.gz SDIDOTZLNVOUCG-UONOGXRCSA-N 2 0 325.457 -1.051 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911032428 669400270 /nfs/dbraw/zinc/40/02/70/669400270.db2.gz UZYVXGNESXFQCW-KBPBESRZSA-N 2 0 325.457 -1.003 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911032429 669400531 /nfs/dbraw/zinc/40/05/31/669400531.db2.gz UZYVXGNESXFQCW-KGLIPLIRSA-N 2 0 325.457 -1.003 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911032430 669400511 /nfs/dbraw/zinc/40/05/11/669400511.db2.gz UZYVXGNESXFQCW-UONOGXRCSA-N 2 0 325.457 -1.003 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911032431 669400563 /nfs/dbraw/zinc/40/05/63/669400563.db2.gz UZYVXGNESXFQCW-ZIAGYGMSSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000911033808 669401142 /nfs/dbraw/zinc/40/11/42/669401142.db2.gz LABSWCNFIYGTIQ-UMVBOHGHSA-N 2 0 337.468 -1.005 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000911033809 669401325 /nfs/dbraw/zinc/40/13/25/669401325.db2.gz LABSWCNFIYGTIQ-VNHYZAJKSA-N 2 0 337.468 -1.005 20 0 EAADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911056158 669400692 /nfs/dbraw/zinc/40/06/92/669400692.db2.gz 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C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911082091 669401457 /nfs/dbraw/zinc/40/14/57/669401457.db2.gz ZXYARRKLJIQGAH-UONOGXRCSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911082093 669401475 /nfs/dbraw/zinc/40/14/75/669401475.db2.gz ZXYARRKLJIQGAH-ZIAGYGMSSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1[NH3+] ZINC000911095550 669402967 /nfs/dbraw/zinc/40/29/67/669402967.db2.gz CEJLMRJFCXMSDR-CHWSQXEVSA-N 2 0 325.457 -1.066 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000911096252 669403016 /nfs/dbraw/zinc/40/30/16/669403016.db2.gz IRFBQJLVZJPTPW-CHWSQXEVSA-N 2 0 325.457 -1.147 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000911099364 669402911 /nfs/dbraw/zinc/40/29/11/669402911.db2.gz MBOSJCLRIQWAMR-TZMCWYRMSA-N 2 0 325.457 -1.147 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1[NH3+] ZINC000911100451 669403642 /nfs/dbraw/zinc/40/36/42/669403642.db2.gz GSGJNJHGXBKKSC-TZMCWYRMSA-N 2 0 325.457 -1.066 20 0 EAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911147469 669405299 /nfs/dbraw/zinc/40/52/99/669405299.db2.gz IRVILMGMYSYMKJ-KBPBESRZSA-N 2 0 339.440 -2.013 20 0 EAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911147470 669405319 /nfs/dbraw/zinc/40/53/19/669405319.db2.gz IRVILMGMYSYMKJ-KGLIPLIRSA-N 2 0 339.440 -2.013 20 0 EAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911147471 669405277 /nfs/dbraw/zinc/40/52/77/669405277.db2.gz IRVILMGMYSYMKJ-UONOGXRCSA-N 2 0 339.440 -2.013 20 0 EAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911147472 669405215 /nfs/dbraw/zinc/40/52/15/669405215.db2.gz IRVILMGMYSYMKJ-ZIAGYGMSSA-N 2 0 339.440 -2.013 20 0 EAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911149675 669405261 /nfs/dbraw/zinc/40/52/61/669405261.db2.gz YMDDXPLRJLPWOV-HZSPNIEDSA-N 2 0 340.424 -1.587 20 0 EAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911149676 669405344 /nfs/dbraw/zinc/40/53/44/669405344.db2.gz YMDDXPLRJLPWOV-IHRRRGAJSA-N 2 0 340.424 -1.587 20 0 EAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911149677 669405539 /nfs/dbraw/zinc/40/55/39/669405539.db2.gz YMDDXPLRJLPWOV-MELADBBJSA-N 2 0 340.424 -1.587 20 0 EAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911149678 669405502 /nfs/dbraw/zinc/40/55/02/669405502.db2.gz YMDDXPLRJLPWOV-RDBSUJKOSA-N 2 0 340.424 -1.587 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911154877 669405472 /nfs/dbraw/zinc/40/54/72/669405472.db2.gz GOELQNIVNVFOIU-UHFFFAOYSA-N 2 0 330.429 -1.353 20 0 EAADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911155809 669405200 /nfs/dbraw/zinc/40/52/00/669405200.db2.gz LZIPKRWQCDLMTQ-UHFFFAOYSA-N 2 0 329.445 -1.780 20 0 EAADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911161513 669406244 /nfs/dbraw/zinc/40/62/44/669406244.db2.gz LCPICCORNGACFG-AWEZNQCLSA-N 2 0 325.457 -1.144 20 0 EAADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911161514 669406181 /nfs/dbraw/zinc/40/61/81/669406181.db2.gz LCPICCORNGACFG-CQSZACIVSA-N 2 0 325.457 -1.144 20 0 EAADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911163408 669406165 /nfs/dbraw/zinc/40/61/65/669406165.db2.gz YAPHCGWPLFLBQJ-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911163409 669406359 /nfs/dbraw/zinc/40/63/59/669406359.db2.gz YAPHCGWPLFLBQJ-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911163802 669406366 /nfs/dbraw/zinc/40/63/66/669406366.db2.gz ZEQFULVBNZGTBE-UHFFFAOYSA-N 2 0 325.457 -1.144 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911178240 669407788 /nfs/dbraw/zinc/40/77/88/669407788.db2.gz ZJZARHSXLYYBGM-UHFFFAOYSA-N 2 0 329.445 -1.908 20 0 EAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911193001 669407054 /nfs/dbraw/zinc/40/70/54/669407054.db2.gz GGUZCLFYDVEAGK-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911193002 669406912 /nfs/dbraw/zinc/40/69/12/669406912.db2.gz GGUZCLFYDVEAGK-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911193003 669407095 /nfs/dbraw/zinc/40/70/95/669407095.db2.gz GGUZCLFYDVEAGK-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911193004 669407002 /nfs/dbraw/zinc/40/70/02/669407002.db2.gz GGUZCLFYDVEAGK-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911196891 669409408 /nfs/dbraw/zinc/40/94/08/669409408.db2.gz YQZANSINUNUPLV-AWEZNQCLSA-N 2 0 341.456 -1.765 20 0 EAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911196896 669409281 /nfs/dbraw/zinc/40/92/81/669409281.db2.gz YQZANSINUNUPLV-CQSZACIVSA-N 2 0 341.456 -1.765 20 0 EAADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CCSC1 ZINC000911198588 669409141 /nfs/dbraw/zinc/40/91/41/669409141.db2.gz IBJFWYCLEOHMMP-HNNXBMFYSA-N 2 0 343.497 -1.439 20 0 EAADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CCSC1 ZINC000911198589 669409311 /nfs/dbraw/zinc/40/93/11/669409311.db2.gz IBJFWYCLEOHMMP-OAHLLOKOSA-N 2 0 343.497 -1.439 20 0 EAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000911200103 669407960 /nfs/dbraw/zinc/40/79/60/669407960.db2.gz PMHAICGBJIZBKV-DOMZBBRYSA-N 2 0 344.481 -1.013 20 0 EAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000911200104 669407764 /nfs/dbraw/zinc/40/77/64/669407764.db2.gz PMHAICGBJIZBKV-IUODEOHRSA-N 2 0 344.481 -1.013 20 0 EAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000911200105 669407596 /nfs/dbraw/zinc/40/75/96/669407596.db2.gz PMHAICGBJIZBKV-SWLSCSKDSA-N 2 0 344.481 -1.013 20 0 EAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000911200106 669407967 /nfs/dbraw/zinc/40/79/67/669407967.db2.gz PMHAICGBJIZBKV-WFASDCNBSA-N 2 0 344.481 -1.013 20 0 EAADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCSC1 ZINC000911200123 669407998 /nfs/dbraw/zinc/40/79/98/669407998.db2.gz PVDQTFKUDAACCA-CABCVRRESA-N 2 0 344.481 -1.148 20 0 EAADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCSC1 ZINC000911200124 669408002 /nfs/dbraw/zinc/40/80/02/669408002.db2.gz PVDQTFKUDAACCA-GJZGRUSLSA-N 2 0 344.481 -1.148 20 0 EAADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCSC1 ZINC000911200125 669407749 /nfs/dbraw/zinc/40/77/49/669407749.db2.gz PVDQTFKUDAACCA-HUUCEWRRSA-N 2 0 344.481 -1.148 20 0 EAADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCSC1 ZINC000911200126 669407776 /nfs/dbraw/zinc/40/77/76/669407776.db2.gz PVDQTFKUDAACCA-LSDHHAIUSA-N 2 0 344.481 -1.148 20 0 EAADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911209979 669408452 /nfs/dbraw/zinc/40/84/52/669408452.db2.gz OYMMIJAQAZSCNT-AWEZNQCLSA-N 2 0 325.457 -1.002 20 0 EAADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911209980 669408569 /nfs/dbraw/zinc/40/85/69/669408569.db2.gz OYMMIJAQAZSCNT-CQSZACIVSA-N 2 0 325.457 -1.002 20 0 EAADRP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911220976 669409363 /nfs/dbraw/zinc/40/93/63/669409363.db2.gz ZTRXYKUIPLYXLD-UHFFFAOYSA-N 2 0 337.468 -1.002 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911230557 669410683 /nfs/dbraw/zinc/41/06/83/669410683.db2.gz ICMUDFLKNHTSFO-UHFFFAOYSA-N 2 0 329.445 -1.908 20 0 EAADRP C[N@H+](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CCCC1 ZINC000911235896 669409418 /nfs/dbraw/zinc/40/94/18/669409418.db2.gz KKHQMBNPIMEHRM-UHFFFAOYSA-N 2 0 325.457 -1.002 20 0 EAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911239542 669409468 /nfs/dbraw/zinc/40/94/68/669409468.db2.gz BJOXNRRKIAEGDV-CYBMUJFWSA-N 2 0 342.440 -1.210 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911239545 669409295 /nfs/dbraw/zinc/40/92/95/669409295.db2.gz BJOXNRRKIAEGDV-ZDUSSCGKSA-N 2 0 342.440 -1.210 20 0 EAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000911240195 669409438 /nfs/dbraw/zinc/40/94/38/669409438.db2.gz HVCWIBKPTZVBLT-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000911240196 669409209 /nfs/dbraw/zinc/40/92/09/669409209.db2.gz HVCWIBKPTZVBLT-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000911240197 669409345 /nfs/dbraw/zinc/40/93/45/669409345.db2.gz HVCWIBKPTZVBLT-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000911240199 669409071 /nfs/dbraw/zinc/40/90/71/669409071.db2.gz HVCWIBKPTZVBLT-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911242165 669410003 /nfs/dbraw/zinc/41/00/03/669410003.db2.gz OXMRANRKWKVAPZ-CYBMUJFWSA-N 2 0 327.429 -2.155 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911242166 669410274 /nfs/dbraw/zinc/41/02/74/669410274.db2.gz OXMRANRKWKVAPZ-ZDUSSCGKSA-N 2 0 327.429 -2.155 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911243713 669410442 /nfs/dbraw/zinc/41/04/42/669410442.db2.gz YWHCMXAYOOATHW-AWEZNQCLSA-N 2 0 341.456 -1.637 20 0 EAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911243714 669410141 /nfs/dbraw/zinc/41/01/41/669410141.db2.gz YWHCMXAYOOATHW-CQSZACIVSA-N 2 0 341.456 -1.637 20 0 EAADRP C[NH+](C)CCOCCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911256870 669412532 /nfs/dbraw/zinc/41/25/32/669412532.db2.gz CEONJXLOFRADKT-UHFFFAOYSA-N 2 0 329.445 -1.780 20 0 EAADRP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911258070 669412400 /nfs/dbraw/zinc/41/24/00/669412400.db2.gz MEQASUNRYZHORI-UHFFFAOYSA-N 2 0 337.468 -1.002 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000911267850 669412378 /nfs/dbraw/zinc/41/23/78/669412378.db2.gz AFTUOPNZKRGHAK-BFHYXJOUSA-N 2 0 325.457 -1.290 20 0 EAADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000911267863 669412511 /nfs/dbraw/zinc/41/25/11/669412511.db2.gz AFTUOPNZKRGHAK-MGPQQGTHSA-N 2 0 325.457 -1.290 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000911268352 669412420 /nfs/dbraw/zinc/41/24/20/669412420.db2.gz DMDGAABDIBCERL-BFHYXJOUSA-N 2 0 325.457 -1.208 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000911268693 669412247 /nfs/dbraw/zinc/41/22/47/669412247.db2.gz DMDGAABDIBCERL-MGPQQGTHSA-N 2 0 325.457 -1.208 20 0 EAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911269018 669411275 /nfs/dbraw/zinc/41/12/75/669411275.db2.gz GYWBGSWVAKDKNR-CYBMUJFWSA-N 2 0 325.457 -1.016 20 0 EAADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911269019 669410892 /nfs/dbraw/zinc/41/08/92/669410892.db2.gz GYWBGSWVAKDKNR-ZDUSSCGKSA-N 2 0 325.457 -1.016 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000911269388 669411028 /nfs/dbraw/zinc/41/10/28/669411028.db2.gz KIKLPTVSWYALLM-AWEZNQCLSA-N 2 0 325.457 -1.144 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000911269389 669411245 /nfs/dbraw/zinc/41/12/45/669411245.db2.gz KIKLPTVSWYALLM-CQSZACIVSA-N 2 0 325.457 -1.144 20 0 EAADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000911269728 669410938 /nfs/dbraw/zinc/41/09/38/669410938.db2.gz OTSQMTKAGFQRJB-APIJFGDWSA-N 2 0 337.468 -1.005 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000911269729 669411319 /nfs/dbraw/zinc/41/13/19/669411319.db2.gz OTSQMTKAGFQRJB-BYNSBNAKSA-N 2 0 337.468 -1.005 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000911269730 669410853 /nfs/dbraw/zinc/41/08/53/669410853.db2.gz OTSQMTKAGFQRJB-LJISPDSOSA-N 2 0 337.468 -1.005 20 0 EAADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C[NH+]1CCN(C)CC1 ZINC000911269731 669410775 /nfs/dbraw/zinc/41/07/75/669410775.db2.gz OTSQMTKAGFQRJB-LXTVHRRPSA-N 2 0 337.468 -1.005 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000911270064 669410989 /nfs/dbraw/zinc/41/09/89/669410989.db2.gz ROBKWYYDTLZQRJ-KBPBESRZSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000911270065 669411003 /nfs/dbraw/zinc/41/10/03/669411003.db2.gz ROBKWYYDTLZQRJ-KGLIPLIRSA-N 2 0 325.457 -1.064 20 0 EAADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000911272453 669411134 /nfs/dbraw/zinc/41/11/34/669411134.db2.gz AZCMPCLKZNXSIT-UHFFFAOYSA-N 2 0 325.457 -1.144 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)C[NH+](C)C ZINC000911272474 669411311 /nfs/dbraw/zinc/41/13/11/669411311.db2.gz BMVOOKBPMAXWNT-CYBMUJFWSA-N 2 0 329.445 -1.909 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)C[NH+](C)C ZINC000911272475 669411312 /nfs/dbraw/zinc/41/13/12/669411312.db2.gz BMVOOKBPMAXWNT-ZDUSSCGKSA-N 2 0 329.445 -1.909 20 0 EAADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000911273222 669410704 /nfs/dbraw/zinc/41/07/04/669410704.db2.gz JJGVXUBFPSZTSY-UHFFFAOYSA-N 2 0 334.424 -1.215 20 0 EAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000911274392 669411702 /nfs/dbraw/zinc/41/17/02/669411702.db2.gz QEFGMERAWVZIMJ-WBMJQRKESA-N 2 0 337.424 -2.056 20 0 EAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000911275120 669411795 /nfs/dbraw/zinc/41/17/95/669411795.db2.gz VIUMNVKOZMFIQB-PBHICJAKSA-N 2 0 337.468 -1.192 20 0 EAADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000911275172 669411800 /nfs/dbraw/zinc/41/18/00/669411800.db2.gz VWUOPXIHKKAVQZ-UHFFFAOYSA-N 2 0 339.440 -1.618 20 0 EAADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911275700 669411893 /nfs/dbraw/zinc/41/18/93/669411893.db2.gz MPFGUBQIAZROHW-UHFFFAOYSA-N 2 0 341.456 -1.419 20 0 EAADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911306803 669413894 /nfs/dbraw/zinc/41/38/94/669413894.db2.gz QIGNIPHIRZKUDM-KBPBESRZSA-N 2 0 342.440 -1.604 20 0 EAADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911306824 669413869 /nfs/dbraw/zinc/41/38/69/669413869.db2.gz QIGNIPHIRZKUDM-KGLIPLIRSA-N 2 0 342.440 -1.604 20 0 EAADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911306827 669413786 /nfs/dbraw/zinc/41/37/86/669413786.db2.gz QIGNIPHIRZKUDM-UONOGXRCSA-N 2 0 342.440 -1.604 20 0 EAADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911306830 669413762 /nfs/dbraw/zinc/41/37/62/669413762.db2.gz QIGNIPHIRZKUDM-ZIAGYGMSSA-N 2 0 342.440 -1.604 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C[NH+](C)C ZINC000911312512 669414960 /nfs/dbraw/zinc/41/49/60/669414960.db2.gz ZDLNPHNPNPESTO-CHWSQXEVSA-N 2 0 330.429 -1.436 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C[NH+](C)C ZINC000911312513 669414902 /nfs/dbraw/zinc/41/49/02/669414902.db2.gz ZDLNPHNPNPESTO-OLZOCXBDSA-N 2 0 330.429 -1.436 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C[NH+](C)C ZINC000911312514 669415186 /nfs/dbraw/zinc/41/51/86/669415186.db2.gz ZDLNPHNPNPESTO-QWHCGFSZSA-N 2 0 330.429 -1.436 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C[NH+](C)C ZINC000911312515 669415076 /nfs/dbraw/zinc/41/50/76/669415076.db2.gz ZDLNPHNPNPESTO-STQMWFEESA-N 2 0 330.429 -1.436 20 0 EAADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911314639 669415204 /nfs/dbraw/zinc/41/52/04/669415204.db2.gz KQMJMXNLJLPXNA-UHFFFAOYSA-N 2 0 325.457 -1.003 20 0 EAADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911336748 669414238 /nfs/dbraw/zinc/41/42/38/669414238.db2.gz MSFWSAOAWBMYDZ-CWVKQELPSA-N 2 0 336.436 -1.088 20 0 EAADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911336749 669414514 /nfs/dbraw/zinc/41/45/14/669414514.db2.gz MSFWSAOAWBMYDZ-DLOXAQCQSA-N 2 0 336.436 -1.088 20 0 EAADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911336750 669414274 /nfs/dbraw/zinc/41/42/74/669414274.db2.gz MSFWSAOAWBMYDZ-YRTQGLMCSA-N 2 0 336.436 -1.088 20 0 EAADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911336751 669414566 /nfs/dbraw/zinc/41/45/66/669414566.db2.gz MSFWSAOAWBMYDZ-YXXKGXSTSA-N 2 0 336.436 -1.088 20 0 EAADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911345204 669417296 /nfs/dbraw/zinc/41/72/96/669417296.db2.gz GQJZFZKLUJVWCT-RDBSUJKOSA-N 2 0 340.424 -1.851 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000911367048 669419089 /nfs/dbraw/zinc/41/90/89/669419089.db2.gz LHALRAJVCSPUSZ-KBUPBQIOSA-N 3 0 339.484 -1.092 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000911374761 669419833 /nfs/dbraw/zinc/41/98/33/669419833.db2.gz NRWVRKJLKPSJQD-ZIAGYGMSSA-N 2 0 325.457 -1.194 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000911375402 669419641 /nfs/dbraw/zinc/41/96/41/669419641.db2.gz WNUGBTUUNJDTOA-QLFBSQMISA-N 2 0 337.468 -1.051 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000911375403 669419784 /nfs/dbraw/zinc/41/97/84/669419784.db2.gz WNUGBTUUNJDTOA-RBSFLKMASA-N 2 0 337.468 -1.051 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000911380433 669417895 /nfs/dbraw/zinc/41/78/95/669417895.db2.gz RVCFTBLNPJCPHF-KGLIPLIRSA-N 3 0 327.473 -1.090 20 0 EAADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)c1 ZINC000911402652 669421175 /nfs/dbraw/zinc/42/11/75/669421175.db2.gz HKLRMQWVEBHPPP-UHFFFAOYSA-N 2 0 334.424 -1.215 20 0 EAADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000911404093 669421186 /nfs/dbraw/zinc/42/11/86/669421186.db2.gz VOLOHZJJCLXNOB-AWEZNQCLSA-N 2 0 334.424 -1.135 20 0 EAADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000911404096 669421061 /nfs/dbraw/zinc/42/10/61/669421061.db2.gz VOLOHZJJCLXNOB-CQSZACIVSA-N 2 0 334.424 -1.135 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+](C)C ZINC000911410656 669421039 /nfs/dbraw/zinc/42/10/39/669421039.db2.gz DPKWRJBXOSLOIJ-AWEZNQCLSA-N 2 0 343.472 -1.391 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+](C)C ZINC000911410657 669420888 /nfs/dbraw/zinc/42/08/88/669420888.db2.gz DPKWRJBXOSLOIJ-CQSZACIVSA-N 2 0 343.472 -1.391 20 0 EAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)C[C@]2(C)C1 ZINC000911411896 669421806 /nfs/dbraw/zinc/42/18/06/669421806.db2.gz VHVRQIOEFSDXNU-DYVFJYSZSA-N 2 0 337.468 -1.064 20 0 EAADRP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000911432738 669421726 /nfs/dbraw/zinc/42/17/26/669421726.db2.gz QZCBGRBAKXRSBH-ZOMKSWQUSA-N 2 0 336.436 -1.088 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C[NH+](C)C ZINC000911435914 669422309 /nfs/dbraw/zinc/42/23/09/669422309.db2.gz QNZBXNUWLYAGKP-CHWSQXEVSA-N 2 0 330.429 -1.355 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C[NH+](C)C ZINC000911435920 669422261 /nfs/dbraw/zinc/42/22/61/669422261.db2.gz QNZBXNUWLYAGKP-OLZOCXBDSA-N 2 0 330.429 -1.355 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C[NH+](C)C ZINC000911435921 669422119 /nfs/dbraw/zinc/42/21/19/669422119.db2.gz QNZBXNUWLYAGKP-QWHCGFSZSA-N 2 0 330.429 -1.355 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C[NH+](C)C ZINC000911435922 669422165 /nfs/dbraw/zinc/42/21/65/669422165.db2.gz QNZBXNUWLYAGKP-STQMWFEESA-N 2 0 330.429 -1.355 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC)C[NH+](C)C ZINC000911435963 669422246 /nfs/dbraw/zinc/42/22/46/669422246.db2.gz QUBWHPKKYHYIOV-CHWSQXEVSA-N 2 0 330.429 -1.484 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC)C[NH+](C)C ZINC000911435968 669422339 /nfs/dbraw/zinc/42/23/39/669422339.db2.gz QUBWHPKKYHYIOV-OLZOCXBDSA-N 2 0 330.429 -1.484 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC)C[NH+](C)C ZINC000911435972 669422232 /nfs/dbraw/zinc/42/22/32/669422232.db2.gz QUBWHPKKYHYIOV-QWHCGFSZSA-N 2 0 330.429 -1.484 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC)C[NH+](C)C ZINC000911435977 669422364 /nfs/dbraw/zinc/42/23/64/669422364.db2.gz QUBWHPKKYHYIOV-STQMWFEESA-N 2 0 330.429 -1.484 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)C[NH+](C)C ZINC000911436509 669422156 /nfs/dbraw/zinc/42/21/56/669422156.db2.gz UKEVZEGDYCEUEI-CYBMUJFWSA-N 2 0 329.445 -1.909 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)C[NH+](C)C ZINC000911436510 669422326 /nfs/dbraw/zinc/42/23/26/669422326.db2.gz UKEVZEGDYCEUEI-ZDUSSCGKSA-N 2 0 329.445 -1.909 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)C[NH+](C)C ZINC000911437084 669422209 /nfs/dbraw/zinc/42/22/09/669422209.db2.gz XMNHELCTOBZDJM-JHJVBQTASA-N 2 0 330.429 -1.356 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C[NH+](C)C ZINC000911437085 669422222 /nfs/dbraw/zinc/42/22/22/669422222.db2.gz XMNHELCTOBZDJM-UPJWGTAASA-N 2 0 330.429 -1.356 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C[NH+](C)C ZINC000911437086 669422399 /nfs/dbraw/zinc/42/23/99/669422399.db2.gz XMNHELCTOBZDJM-XQQFMLRXSA-N 2 0 330.429 -1.356 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C[NH+](C)C ZINC000911437087 669422409 /nfs/dbraw/zinc/42/24/09/669422409.db2.gz XMNHELCTOBZDJM-YNEHKIRRSA-N 2 0 330.429 -1.356 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C[NH+](C)C ZINC000911437197 669422350 /nfs/dbraw/zinc/42/23/50/669422350.db2.gz ZYJUOIHQBCXQET-CHWSQXEVSA-N 2 0 329.445 -1.829 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C[NH+](C)C ZINC000911437198 669422357 /nfs/dbraw/zinc/42/23/57/669422357.db2.gz ZYJUOIHQBCXQET-OLZOCXBDSA-N 2 0 329.445 -1.829 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C[NH+](C)C ZINC000911437199 669422169 /nfs/dbraw/zinc/42/21/69/669422169.db2.gz ZYJUOIHQBCXQET-QWHCGFSZSA-N 2 0 329.445 -1.829 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C[NH+](C)C ZINC000911437200 669422277 /nfs/dbraw/zinc/42/22/77/669422277.db2.gz ZYJUOIHQBCXQET-STQMWFEESA-N 2 0 329.445 -1.829 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CNOC2)C[C@H]1C[NH+](C)C ZINC000911457919 669426158 /nfs/dbraw/zinc/42/61/58/669426158.db2.gz YTBXIXZYXDZBFQ-JHJVBQTASA-N 2 0 327.429 -1.796 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CNOC2)C[C@H]1C[NH+](C)C ZINC000911465027 669424118 /nfs/dbraw/zinc/42/41/18/669424118.db2.gz YTBXIXZYXDZBFQ-UPJWGTAASA-N 2 0 327.429 -1.796 20 0 EAADRP [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000911503982 669427805 /nfs/dbraw/zinc/42/78/05/669427805.db2.gz FQIWUKNPBIOQTN-UHFFFAOYSA-N 2 0 337.424 -1.640 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504635 669427980 /nfs/dbraw/zinc/42/79/80/669427980.db2.gz MATWMCHJJDQLAB-UHFFFAOYSA-N 2 0 339.440 -1.394 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)C[C@H]1C[NH+](C)C ZINC000911505945 669428514 /nfs/dbraw/zinc/42/85/14/669428514.db2.gz IFCLKPAZRYXTBV-CHWSQXEVSA-N 3 0 325.457 -1.208 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506328 669427606 /nfs/dbraw/zinc/42/76/06/669427606.db2.gz ZMZQGZHCGAOBAG-GFCCVEGCSA-N 2 0 337.424 -1.641 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506329 669427908 /nfs/dbraw/zinc/42/79/08/669427908.db2.gz ZMZQGZHCGAOBAG-LBPRGKRZSA-N 2 0 337.424 -1.641 20 0 EAADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911531986 669428561 /nfs/dbraw/zinc/42/85/61/669428561.db2.gz IFRCNFZGFHIJFC-UHFFFAOYSA-N 2 0 325.457 -1.144 20 0 EAADRP CN1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000911533253 669428407 /nfs/dbraw/zinc/42/84/07/669428407.db2.gz OIPAXAZVLUBMIM-CYBMUJFWSA-N 2 0 325.457 -1.064 20 0 EAADRP CN1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000911533254 669428384 /nfs/dbraw/zinc/42/83/84/669428384.db2.gz OIPAXAZVLUBMIM-ZDUSSCGKSA-N 2 0 325.457 -1.064 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537474 669430067 /nfs/dbraw/zinc/43/00/67/669430067.db2.gz XCSILMZDJZGOGH-BFHYXJOUSA-N 3 0 325.457 -1.053 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911547608 669429412 /nfs/dbraw/zinc/42/94/12/669429412.db2.gz XCSILMZDJZGOGH-HZSPNIEDSA-N 3 0 325.457 -1.053 20 0 EAADRP CN1CC[N@H+](C)CC(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000911876135 669438627 /nfs/dbraw/zinc/43/86/27/669438627.db2.gz XZBPMZQAWOOLKG-UHFFFAOYSA-N 2 0 325.457 -1.288 20 0 EAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912463609 669449566 /nfs/dbraw/zinc/44/95/66/669449566.db2.gz ROFKYPFHKGDTIQ-UHFFFAOYSA-N 2 0 327.473 -1.042 20 0 EAADRP CN1CC[N@H+](C)CC(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000912991996 669465259 /nfs/dbraw/zinc/46/52/59/669465259.db2.gz UFSKHEPTYFLVIR-AWEZNQCLSA-N 2 0 325.457 -1.064 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C[NH+](C)C ZINC000913437381 669489992 /nfs/dbraw/zinc/48/99/92/669489992.db2.gz FZVLAPWNNQOYDD-ZIAGYGMSSA-N 2 0 325.457 -1.384 20 0 EAADRP O=C(NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000913920748 669830765 /nfs/dbraw/zinc/83/07/65/669830765.db2.gz WFURGLGZDORJII-CYBMUJFWSA-N 2 0 336.436 -1.229 20 0 EAADRP Cc1nn(CCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)o1 ZINC000914059953 669836218 /nfs/dbraw/zinc/83/62/18/669836218.db2.gz XOCOLHJSJFLCKN-UHFFFAOYSA-N 2 0 349.457 -1.100 20 0 EAADRP CC[C@@H](CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](CC)CO)CC1 ZINC000916570708 669917007 /nfs/dbraw/zinc/91/70/07/669917007.db2.gz OOFKDEJESFFRIV-KBPBESRZSA-N 2 0 344.456 -1.622 20 0 EAADRP CC[C@H](CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](CC)CO)CC1 ZINC000916570709 669917087 /nfs/dbraw/zinc/91/70/87/669917087.db2.gz OOFKDEJESFFRIV-OKILXGFUSA-N 2 0 344.456 -1.622 20 0 EAADRP CC[C@H](CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](CC)CO)CC1 ZINC000916570710 669917072 /nfs/dbraw/zinc/91/70/72/669917072.db2.gz OOFKDEJESFFRIV-ZIAGYGMSSA-N 2 0 344.456 -1.622 20 0 EAADRP CC(C)(CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+]C(C)(C)CO)CC1 ZINC000916572367 669917031 /nfs/dbraw/zinc/91/70/31/669917031.db2.gz DFSQOZZKWBVBEP-UHFFFAOYSA-N 2 0 344.456 -1.622 20 0 EAADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)C[C@H]1C[NH+](C)C ZINC000918538066 669942518 /nfs/dbraw/zinc/94/25/18/669942518.db2.gz VCYBNYIKEXMSAC-AAVRWANBSA-N 2 0 335.470 -1.253 20 0 EAADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333826 669602301 /nfs/dbraw/zinc/60/23/01/669602301.db2.gz TWRCCBLKKNCVCB-CABCVRRESA-N 2 0 328.457 -1.178 20 0 EAADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000923333827 669602728 /nfs/dbraw/zinc/60/27/28/669602728.db2.gz TWRCCBLKKNCVCB-GJZGRUSLSA-N 2 0 328.457 -1.178 20 0 EAADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333828 669602655 /nfs/dbraw/zinc/60/26/55/669602655.db2.gz TWRCCBLKKNCVCB-HUUCEWRRSA-N 2 0 328.457 -1.178 20 0 EAADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000923333829 669602606 /nfs/dbraw/zinc/60/26/06/669602606.db2.gz TWRCCBLKKNCVCB-LSDHHAIUSA-N 2 0 328.457 -1.178 20 0 EAADRP COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923400609 669604082 /nfs/dbraw/zinc/60/40/82/669604082.db2.gz XGIQDTIDSHFUSX-HNNXBMFYSA-N 2 0 343.472 -1.432 20 0 EAADRP COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923400617 669604159 /nfs/dbraw/zinc/60/41/59/669604159.db2.gz XGIQDTIDSHFUSX-OAHLLOKOSA-N 2 0 343.472 -1.432 20 0 EAADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414542 669604131 /nfs/dbraw/zinc/60/41/31/669604131.db2.gz LWRKRHCYGJSXEK-BARDWOONSA-N 2 0 342.440 -1.208 20 0 EAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414546 669604039 /nfs/dbraw/zinc/60/40/39/669604039.db2.gz LWRKRHCYGJSXEK-TUVASFSCSA-N 2 0 342.440 -1.208 20 0 EAADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414548 669603889 /nfs/dbraw/zinc/60/38/89/669603889.db2.gz LWRKRHCYGJSXEK-XQLPTFJDSA-N 2 0 342.440 -1.208 20 0 EAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414551 669604111 /nfs/dbraw/zinc/60/41/11/669604111.db2.gz LWRKRHCYGJSXEK-YJNKXOJESA-N 2 0 342.440 -1.208 20 0 EAADRP CCOC(=O)C1=C(CN2CC[NH2+]CC[NH2+]CC2)NC(=O)N[C@@H]1C ZINC000923460423 669606797 /nfs/dbraw/zinc/60/67/97/669606797.db2.gz SDXPPNSVBUPTOH-LLVKDONJSA-N 2 0 325.413 -1.000 20 0 EAADRP CCOC(=O)C1=C(CN2CC[NH2+]CC[NH2+]CC2)NC(=O)N[C@H]1C ZINC000923460429 669606824 /nfs/dbraw/zinc/60/68/24/669606824.db2.gz SDXPPNSVBUPTOH-NSHDSACASA-N 2 0 325.413 -1.000 20 0 EAADRP Cn1cnc2c1c(=O)n(CCCN1CC[NH2+]CC[NH2+]CC1)c(=O)n2C ZINC000923463010 669607218 /nfs/dbraw/zinc/60/72/18/669607218.db2.gz OEMRROFCMMWHIC-UHFFFAOYSA-N 2 0 349.439 -1.681 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCNCC[NH2+]CC2)C1 ZINC000923463758 669607235 /nfs/dbraw/zinc/60/72/35/669607235.db2.gz VFTPFBJHCVFTCJ-INIZCTEOSA-N 2 0 341.500 -1.046 20 0 EAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCNCC[NH2+]CC2)C1 ZINC000923463763 669607503 /nfs/dbraw/zinc/60/75/03/669607503.db2.gz VFTPFBJHCVFTCJ-MRXNPFEDSA-N 2 0 341.500 -1.046 20 0 EAADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923480997 669608779 /nfs/dbraw/zinc/60/87/79/669608779.db2.gz FBFFTVQIZQSGPY-AWEZNQCLSA-N 2 0 325.457 -1.111 20 0 EAADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923480999 669608752 /nfs/dbraw/zinc/60/87/52/669608752.db2.gz FBFFTVQIZQSGPY-CQSZACIVSA-N 2 0 325.457 -1.111 20 0 EAADRP CN(CCCNC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)S(C)(=O)=O ZINC000923518848 669609317 /nfs/dbraw/zinc/60/93/17/669609317.db2.gz OUAQELNGAUOCHR-QWHCGFSZSA-N 2 0 332.470 -1.075 20 0 EAADRP CN(C)C(=O)CN1CCN(C(=O)CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923519979 669609328 /nfs/dbraw/zinc/60/93/28/669609328.db2.gz XXUAZHUNARNWRN-LSDHHAIUSA-N 2 0 337.468 -1.240 20 0 EAADRP O=C([C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000923566475 669614241 /nfs/dbraw/zinc/61/42/41/669614241.db2.gz LQVOJWNPYMEJQW-CYBMUJFWSA-N 2 0 345.469 -1.720 20 0 EAADRP O=C([C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000923566479 669614184 /nfs/dbraw/zinc/61/41/84/669614184.db2.gz LQVOJWNPYMEJQW-ZDUSSCGKSA-N 2 0 345.469 -1.720 20 0 EAADRP O=C(NC[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000923577852 669616023 /nfs/dbraw/zinc/61/60/23/669616023.db2.gz ZIGOPAGPUSGWOQ-AAEUAGOBSA-N 2 0 330.454 -1.132 20 0 EAADRP O=C(NC[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000923577853 669616331 /nfs/dbraw/zinc/61/63/31/669616331.db2.gz ZIGOPAGPUSGWOQ-DGCLKSJQSA-N 2 0 330.454 -1.132 20 0 EAADRP O=C(NC[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000923577854 669616265 /nfs/dbraw/zinc/61/62/65/669616265.db2.gz ZIGOPAGPUSGWOQ-WCQYABFASA-N 2 0 330.454 -1.132 20 0 EAADRP O=C(NC[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000923577855 669616161 /nfs/dbraw/zinc/61/61/61/669616161.db2.gz ZIGOPAGPUSGWOQ-YPMHNXCESA-N 2 0 330.454 -1.132 20 0 EAADRP CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923604451 670090587 /nfs/dbraw/zinc/09/05/87/670090587.db2.gz VPPROHXQNQMHPA-CYBMUJFWSA-N 2 0 347.485 -1.331 20 0 EAADRP CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923604452 670090266 /nfs/dbraw/zinc/09/02/66/670090266.db2.gz VPPROHXQNQMHPA-ZDUSSCGKSA-N 2 0 347.485 -1.331 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923606863 670090706 /nfs/dbraw/zinc/09/07/06/670090706.db2.gz RQUHSIFJGRXDON-UHFFFAOYSA-N 2 0 347.485 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670091119 /nfs/dbraw/zinc/09/11/19/670091119.db2.gz MZNCSORBWNZBCE-CQSZACIVSA-N 2 0 333.502 -1.000 20 0 EAADRP O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH2+]CC1 ZINC000923639173 670092182 /nfs/dbraw/zinc/09/21/82/670092182.db2.gz GJYCIOXQKGJIRP-JTQLQIEISA-N 2 0 345.391 -1.438 20 0 EAADRP O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH2+]CC1 ZINC000923639174 670092208 /nfs/dbraw/zinc/09/22/08/670092208.db2.gz GJYCIOXQKGJIRP-SNVBAGLBSA-N 2 0 345.391 -1.438 20 0 EAADRP O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC000923643932 670092108 /nfs/dbraw/zinc/09/21/08/670092108.db2.gz HANDPAGOGWZUOW-UHFFFAOYSA-N 2 0 331.486 -1.058 20 0 EAADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923658684 670092591 /nfs/dbraw/zinc/09/25/91/670092591.db2.gz BKEQWCAVRRCSBW-NWDGAFQWSA-N 2 0 330.410 -1.455 20 0 EAADRP O=C(N1CC[NH2+]CC1)N1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923660131 670092630 /nfs/dbraw/zinc/09/26/30/670092630.db2.gz RMFFELKINFSOTQ-UHFFFAOYSA-N 2 0 346.457 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O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923669117 670092511 /nfs/dbraw/zinc/09/25/11/670092511.db2.gz UXZAJDASXPSOEX-FVCCEPFGSA-N 2 0 344.437 -1.065 20 0 EAADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923669118 670092743 /nfs/dbraw/zinc/09/27/43/670092743.db2.gz UXZAJDASXPSOEX-MROQNXINSA-N 2 0 344.437 -1.065 20 0 EAADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923669119 670092521 /nfs/dbraw/zinc/09/25/21/670092521.db2.gz UXZAJDASXPSOEX-QNWHQSFQSA-N 2 0 344.437 -1.065 20 0 EAADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923669120 670092784 /nfs/dbraw/zinc/09/27/84/670092784.db2.gz UXZAJDASXPSOEX-ZDEQEGDKSA-N 2 0 344.437 -1.065 20 0 EAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCCCCN1CC[NH2+]CC1 ZINC000923680092 670092754 /nfs/dbraw/zinc/09/27/54/670092754.db2.gz QTYQRVINTUCZSK-AWEZNQCLSA-N 2 0 334.486 -1.030 20 0 EAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCCCCN1CC[NH2+]CC1 ZINC000923680095 670092717 /nfs/dbraw/zinc/09/27/17/670092717.db2.gz QTYQRVINTUCZSK-CQSZACIVSA-N 2 0 334.486 -1.030 20 0 EAADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000925728045 670106011 /nfs/dbraw/zinc/10/60/11/670106011.db2.gz SWFYPFULUKBJDS-ABNPOPBRSA-N 2 0 325.409 -1.044 20 0 EAADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000925728046 670106175 /nfs/dbraw/zinc/10/61/75/670106175.db2.gz SWFYPFULUKBJDS-AKIOZOGOSA-N 2 0 325.409 -1.044 20 0 EAADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000925728047 670105955 /nfs/dbraw/zinc/10/59/55/670105955.db2.gz SWFYPFULUKBJDS-HDNYOTOHSA-N 2 0 325.409 -1.044 20 0 EAADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000925728048 670106118 /nfs/dbraw/zinc/10/61/18/670106118.db2.gz SWFYPFULUKBJDS-STGWMILLSA-N 2 0 325.409 -1.044 20 0 EAADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000926286972 670107037 /nfs/dbraw/zinc/10/70/37/670107037.db2.gz FQDAGQSAVBISJG-UHFFFAOYSA-N 2 0 346.435 -1.248 20 0 EAADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926301429 670106897 /nfs/dbraw/zinc/10/68/97/670106897.db2.gz ZPWXZIXIQFQXMQ-AWEZNQCLSA-N 2 0 325.457 -1.050 20 0 EAADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926301431 670107076 /nfs/dbraw/zinc/10/70/76/670107076.db2.gz ZPWXZIXIQFQXMQ-CQSZACIVSA-N 2 0 325.457 -1.050 20 0 EAADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926306228 670106712 /nfs/dbraw/zinc/10/67/12/670106712.db2.gz FGDCBXAYOVYEBA-AWEZNQCLSA-N 2 0 325.457 -1.192 20 0 EAADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926306230 670106856 /nfs/dbraw/zinc/10/68/56/670106856.db2.gz FGDCBXAYOVYEBA-CQSZACIVSA-N 2 0 325.457 -1.192 20 0 EAADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926323007 670106820 /nfs/dbraw/zinc/10/68/20/670106820.db2.gz XGWAEPBXYGAONQ-UHFFFAOYSA-N 2 0 325.457 -1.050 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926328989 670107749 /nfs/dbraw/zinc/10/77/49/670107749.db2.gz AOCRXTLHZBZBJE-UHFFFAOYSA-N 3 0 342.488 -2.040 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926329204 670107406 /nfs/dbraw/zinc/10/74/06/670107406.db2.gz CCJJPPFRSLUJFH-INIZCTEOSA-N 3 0 343.472 -1.750 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926329211 668373180 /nfs/dbraw/zinc/37/31/80/668373180.db2.gz CCJJPPFRSLUJFH-MRXNPFEDSA-N 3 0 343.472 -1.750 20 0 EAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926331121 670107787 /nfs/dbraw/zinc/10/77/87/670107787.db2.gz DWNXYDQCYUFXSK-UHFFFAOYSA-N 2 0 329.445 -1.956 20 0 EAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926331489 670107566 /nfs/dbraw/zinc/10/75/66/670107566.db2.gz FWRSOOYOLXPPKL-HNNXBMFYSA-N 2 0 330.429 -1.665 20 0 EAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926331490 670107577 /nfs/dbraw/zinc/10/75/77/670107577.db2.gz FWRSOOYOLXPPKL-OAHLLOKOSA-N 2 0 330.429 -1.665 20 0 EAADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926331517 668374391 /nfs/dbraw/zinc/37/43/91/668374391.db2.gz BASDSKTYWLKZJY-AWEZNQCLSA-N 2 0 325.457 -1.050 20 0 EAADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926331521 668374755 /nfs/dbraw/zinc/37/47/55/668374755.db2.gz BASDSKTYWLKZJY-CQSZACIVSA-N 2 0 325.457 -1.050 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CCO1 ZINC000926332035 670107847 /nfs/dbraw/zinc/10/78/47/670107847.db2.gz DZTJZIMOCFMUPX-CYBMUJFWSA-N 2 0 327.429 -2.203 20 0 EAADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CCO1 ZINC000926332036 670107668 /nfs/dbraw/zinc/10/76/68/670107668.db2.gz DZTJZIMOCFMUPX-ZDUSSCGKSA-N 2 0 327.429 -2.203 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCO1 ZINC000926334060 670107556 /nfs/dbraw/zinc/10/75/56/670107556.db2.gz LCWQMRHGFRIDJT-DOMZBBRYSA-N 2 0 328.413 -1.912 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCO1 ZINC000926334066 670107425 /nfs/dbraw/zinc/10/74/25/670107425.db2.gz LCWQMRHGFRIDJT-IUODEOHRSA-N 2 0 328.413 -1.912 20 0 EAADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCO1 ZINC000926334068 670107853 /nfs/dbraw/zinc/10/78/53/670107853.db2.gz LCWQMRHGFRIDJT-SWLSCSKDSA-N 2 0 328.413 -1.912 20 0 EAADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCO1 ZINC000926334069 670107383 /nfs/dbraw/zinc/10/73/83/670107383.db2.gz LCWQMRHGFRIDJT-WFASDCNBSA-N 2 0 328.413 -1.912 20 0 EAADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926334261 670107780 /nfs/dbraw/zinc/10/77/80/670107780.db2.gz SGCGPRHKZKDVJH-UHFFFAOYSA-N 2 0 325.457 -1.192 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000926334624 670107448 /nfs/dbraw/zinc/10/74/48/670107448.db2.gz KLISGEOYLSQUDD-ZIAGYGMSSA-N 2 0 325.457 -1.112 20 0 EAADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926336595 668374432 /nfs/dbraw/zinc/37/44/32/668374432.db2.gz ZXLRUWUCJUKMFO-UHFFFAOYSA-N 2 0 325.457 -1.048 20 0 EAADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000926343393 670107395 /nfs/dbraw/zinc/10/73/95/670107395.db2.gz FXLUMYGCXISNGH-HNNXBMFYSA-N 2 0 337.468 -1.048 20 0 EAADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000926343394 670107223 /nfs/dbraw/zinc/10/72/23/670107223.db2.gz FXLUMYGCXISNGH-OAHLLOKOSA-N 2 0 337.468 -1.048 20 0 EAADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926349597 670107772 /nfs/dbraw/zinc/10/77/72/670107772.db2.gz IDQXSICMSMWROA-CABCVRRESA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926349600 670107606 /nfs/dbraw/zinc/10/76/06/670107606.db2.gz IDQXSICMSMWROA-GJZGRUSLSA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926349603 668377458 /nfs/dbraw/zinc/37/74/58/668377458.db2.gz IDQXSICMSMWROA-HUUCEWRRSA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926349606 668377478 /nfs/dbraw/zinc/37/74/78/668377478.db2.gz IDQXSICMSMWROA-LSDHHAIUSA-N 2 0 337.468 -1.050 20 0 EAADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926350964 668377622 /nfs/dbraw/zinc/37/76/22/668377622.db2.gz DYOBVPOMJDHDAT-AWEZNQCLSA-N 2 0 325.457 -1.192 20 0 EAADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926350968 668377664 /nfs/dbraw/zinc/37/76/64/668377664.db2.gz DYOBVPOMJDHDAT-CQSZACIVSA-N 2 0 325.457 -1.192 20 0 EAADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@@H]21 ZINC000926368619 670108421 /nfs/dbraw/zinc/10/84/21/670108421.db2.gz VGEHGRFPTLKPSJ-CABCVRRESA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@@H]21 ZINC000926368620 670108332 /nfs/dbraw/zinc/10/83/32/670108332.db2.gz VGEHGRFPTLKPSJ-GJZGRUSLSA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@H]21 ZINC000926368621 670108584 /nfs/dbraw/zinc/10/85/84/670108584.db2.gz VGEHGRFPTLKPSJ-HUUCEWRRSA-N 2 0 337.468 -1.050 20 0 EAADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@H]21 ZINC000926368622 670108561 /nfs/dbraw/zinc/10/85/61/670108561.db2.gz VGEHGRFPTLKPSJ-LSDHHAIUSA-N 2 0 337.468 -1.050 20 0 EAADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926369257 668381153 /nfs/dbraw/zinc/38/11/53/668381153.db2.gz BUVXIFHNFQYPHW-UHFFFAOYSA-N 2 0 325.457 -1.050 20 0 EAADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926374529 668383069 /nfs/dbraw/zinc/38/30/69/668383069.db2.gz BMBTYFZCYRUEPY-UHFFFAOYSA-N 2 0 325.457 -1.003 20 0 EAADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926375856 670108165 /nfs/dbraw/zinc/10/81/65/670108165.db2.gz XGSFIABLGOHCLM-AWEZNQCLSA-N 2 0 325.457 -1.003 20 0 EAADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926375857 670108515 /nfs/dbraw/zinc/10/85/15/670108515.db2.gz XGSFIABLGOHCLM-CQSZACIVSA-N 2 0 325.457 -1.003 20 0 EAADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926379296 670108370 /nfs/dbraw/zinc/10/83/70/670108370.db2.gz GFAIOZHFQROSPB-AWEZNQCLSA-N 2 0 325.457 -1.051 20 0 EAADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926379298 670108084 /nfs/dbraw/zinc/10/80/84/670108084.db2.gz GFAIOZHFQROSPB-CQSZACIVSA-N 2 0 325.457 -1.051 20 0 EAADRP C[N@@H+]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CCC1(C)C ZINC000926389068 668387286 /nfs/dbraw/zinc/38/72/86/668387286.db2.gz DCMRPPULGBMDJD-UHFFFAOYSA-N 2 0 325.457 -1.050 20 0 EAADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926389122 668387174 /nfs/dbraw/zinc/38/71/74/668387174.db2.gz NFYVNEDHRMMQSC-UHFFFAOYSA-N 2 0 325.457 -1.048 20 0 EAADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)[N@H+](C)C1 ZINC000926406203 670109065 /nfs/dbraw/zinc/10/90/65/670109065.db2.gz HTGBWFNMTKJZQM-KBPBESRZSA-N 2 0 341.456 -1.815 20 0 EAADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)C1 ZINC000926407669 668391802 /nfs/dbraw/zinc/39/18/02/668391802.db2.gz OXQWWVJEXAEXJE-KRWDZBQOSA-N 2 0 337.468 -1.048 20 0 EAADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)C1 ZINC000926407671 668391920 /nfs/dbraw/zinc/39/19/20/668391920.db2.gz OXQWWVJEXAEXJE-QGZVFWFLSA-N 2 0 337.468 -1.048 20 0 EAADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)[N@H+](C)C1 ZINC000926408183 670109002 /nfs/dbraw/zinc/10/90/02/670109002.db2.gz BHTPFXWBKDMLOE-HEHGZKQESA-N 2 0 342.440 -1.524 20 0 EAADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)[N@H+](C)C1 ZINC000926408190 670109028 /nfs/dbraw/zinc/10/90/28/670109028.db2.gz BHTPFXWBKDMLOE-XEZPLFJOSA-N 2 0 342.440 -1.524 20 0 EAADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926409146 670109268 /nfs/dbraw/zinc/10/92/68/670109268.db2.gz JRNNWKLSWYFRKI-UHFFFAOYSA-N 2 0 325.457 -1.192 20 0 EAADRP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCN1CCO ZINC000926425567 670109691 /nfs/dbraw/zinc/10/96/91/670109691.db2.gz DTXVHOHINVNKHW-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000930148981 670117105 /nfs/dbraw/zinc/11/71/05/670117105.db2.gz JKFSOBQKSKHCEO-CPUCHLNUSA-N 2 0 337.468 -1.242 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000930148982 670116915 /nfs/dbraw/zinc/11/69/15/670116915.db2.gz JKFSOBQKSKHCEO-KEYYUXOJSA-N 2 0 337.468 -1.242 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C[NH+](C)C ZINC000930149408 670116840 /nfs/dbraw/zinc/11/68/40/670116840.db2.gz PTFFHSDNSYIGCG-KBPBESRZSA-N 2 0 343.472 -1.569 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C[NH+](C)C ZINC000930149409 670116939 /nfs/dbraw/zinc/11/69/39/670116939.db2.gz PTFFHSDNSYIGCG-KGLIPLIRSA-N 2 0 343.472 -1.569 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C[NH+](C)C ZINC000930149410 670116946 /nfs/dbraw/zinc/11/69/46/670116946.db2.gz PTFFHSDNSYIGCG-UONOGXRCSA-N 2 0 343.472 -1.569 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C[NH+](C)C ZINC000930149411 670088863 /nfs/dbraw/zinc/08/88/63/670088863.db2.gz PTFFHSDNSYIGCG-ZIAGYGMSSA-N 2 0 343.472 -1.569 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C[NH+](C)C ZINC000930516031 670117527 /nfs/dbraw/zinc/11/75/27/670117527.db2.gz TVXZSLCOMIRGBV-BFHYXJOUSA-N 2 0 344.456 -1.095 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)C[NH+](C)C ZINC000930516033 670117694 /nfs/dbraw/zinc/11/76/94/670117694.db2.gz TVXZSLCOMIRGBV-MCIONIFRSA-N 2 0 344.456 -1.095 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)C[NH+](C)C ZINC000930516034 670117644 /nfs/dbraw/zinc/11/76/44/670117644.db2.gz TVXZSLCOMIRGBV-MGPQQGTHSA-N 2 0 344.456 -1.095 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)C[NH+](C)C ZINC000930516036 670117554 /nfs/dbraw/zinc/11/75/54/670117554.db2.gz TVXZSLCOMIRGBV-MJBXVCDLSA-N 2 0 344.456 -1.095 20 0 EAADRP CO[C@@H]1CN(CC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000930648556 670118253 /nfs/dbraw/zinc/11/82/53/670118253.db2.gz LYXMRPYHXCNLBB-DHGKCCLASA-N 2 0 331.413 -2.126 20 0 EAADRP CO[C@@H]1CN(CC(=O)NC[C@H](C)[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000930648557 670118110 /nfs/dbraw/zinc/11/81/10/670118110.db2.gz LYXMRPYHXCNLBB-RYMFRWLXSA-N 2 0 331.413 -2.126 20 0 EAADRP C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000932034760 670123255 /nfs/dbraw/zinc/12/32/55/670123255.db2.gz RYGHCKOGRZAKCN-GFCCVEGCSA-N 2 0 340.432 -1.870 20 0 EAADRP C[C@H](NC(=O)Cn1cnnn1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000932034761 670123358 /nfs/dbraw/zinc/12/33/58/670123358.db2.gz RYGHCKOGRZAKCN-LBPRGKRZSA-N 2 0 340.432 -1.870 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+](C)C ZINC000932467054 670124983 /nfs/dbraw/zinc/12/49/83/670124983.db2.gz CMKOOYQOKOJVSZ-BFHYXJOUSA-N 2 0 342.440 -1.653 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+](C)C ZINC000932467055 670125116 /nfs/dbraw/zinc/12/51/16/670125116.db2.gz CMKOOYQOKOJVSZ-MJBXVCDLSA-N 2 0 342.440 -1.653 20 0 EAADRP O=C(N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000946927589 669802531 /nfs/dbraw/zinc/80/25/31/669802531.db2.gz LEOKXMFVLVQDPP-CYBMUJFWSA-N 2 0 336.436 -1.086 20 0 EAADRP O=C(N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000946927590 669802524 /nfs/dbraw/zinc/80/25/24/669802524.db2.gz LEOKXMFVLVQDPP-ZDUSSCGKSA-N 2 0 336.436 -1.086 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CCCO)C[C@H]2O)n1 ZINC000958076709 670626580 /nfs/dbraw/zinc/62/65/80/670626580.db2.gz KFHBERYAARMPCB-DZGCQCFKSA-N 2 0 339.440 -1.150 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@@H]2O)n1 ZINC000958076710 670626651 /nfs/dbraw/zinc/62/66/51/670626651.db2.gz KFHBERYAARMPCB-HIFRSBDPSA-N 2 0 339.440 -1.150 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@H]2O)n1 ZINC000958076711 670626954 /nfs/dbraw/zinc/62/69/54/670626954.db2.gz KFHBERYAARMPCB-UKRRQHHQSA-N 2 0 339.440 -1.150 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CCCO)C[C@@H]2O)n1 ZINC000958076712 670626754 /nfs/dbraw/zinc/62/67/54/670626754.db2.gz KFHBERYAARMPCB-ZFWWWQNUSA-N 2 0 339.440 -1.150 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)n1 ZINC000958077173 670626695 /nfs/dbraw/zinc/62/66/95/670626695.db2.gz QTMZEALNAJSTJW-GXTWGEPZSA-N 2 0 325.413 -1.541 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC000958077174 670627236 /nfs/dbraw/zinc/62/72/36/670627236.db2.gz QTMZEALNAJSTJW-JSGCOSHPSA-N 2 0 325.413 -1.541 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC000958077175 670626924 /nfs/dbraw/zinc/62/69/24/670626924.db2.gz QTMZEALNAJSTJW-OCCSQVGLSA-N 2 0 325.413 -1.541 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)n1 ZINC000958077176 670626725 /nfs/dbraw/zinc/62/67/25/670626725.db2.gz QTMZEALNAJSTJW-TZMCWYRMSA-N 2 0 325.413 -1.541 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000958415680 670692134 /nfs/dbraw/zinc/69/21/34/670692134.db2.gz YVCAAQMYKMRXGQ-CZXHOFHRSA-N 2 0 335.408 -1.321 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000958415682 670692285 /nfs/dbraw/zinc/69/22/85/670692285.db2.gz YVCAAQMYKMRXGQ-KZVDOYCCSA-N 2 0 335.408 -1.321 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CCCO)C[C@H]2O)cn1 ZINC000958467825 670699855 /nfs/dbraw/zinc/69/98/55/670699855.db2.gz NLAQYYNGOIRCIT-DZGCQCFKSA-N 2 0 339.440 -1.150 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@@H]2O)cn1 ZINC000958467826 670699167 /nfs/dbraw/zinc/69/91/67/670699167.db2.gz NLAQYYNGOIRCIT-HIFRSBDPSA-N 2 0 339.440 -1.150 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@H]2O)cn1 ZINC000958467827 670699704 /nfs/dbraw/zinc/69/97/04/670699704.db2.gz NLAQYYNGOIRCIT-UKRRQHHQSA-N 2 0 339.440 -1.150 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CCCO)C[C@@H]2O)cn1 ZINC000958467828 670699229 /nfs/dbraw/zinc/69/92/29/670699229.db2.gz NLAQYYNGOIRCIT-ZFWWWQNUSA-N 2 0 339.440 -1.150 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)cn1 ZINC000958468301 670699482 /nfs/dbraw/zinc/69/94/82/670699482.db2.gz WDGSPQUOOUWFER-GXTWGEPZSA-N 2 0 325.413 -1.541 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC000958468302 670699716 /nfs/dbraw/zinc/69/97/16/670699716.db2.gz WDGSPQUOOUWFER-JSGCOSHPSA-N 2 0 325.413 -1.541 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC000958468303 670699609 /nfs/dbraw/zinc/69/96/09/670699609.db2.gz WDGSPQUOOUWFER-OCCSQVGLSA-N 2 0 325.413 -1.541 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)cn1 ZINC000958468304 670699264 /nfs/dbraw/zinc/69/92/64/670699264.db2.gz WDGSPQUOOUWFER-TZMCWYRMSA-N 2 0 325.413 -1.541 20 0 EAADRP Cn1cc(CN2C[C@@H](O)[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000958590666 670724135 /nfs/dbraw/zinc/72/41/35/670724135.db2.gz BQZMJMQJLUEUOU-GXTWGEPZSA-N 2 0 334.424 -1.180 20 0 EAADRP Cn1cc(CN2C[C@H](O)[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000958590667 670723654 /nfs/dbraw/zinc/72/36/54/670723654.db2.gz BQZMJMQJLUEUOU-JSGCOSHPSA-N 2 0 334.424 -1.180 20 0 EAADRP Cn1cc(CN2C[C@H](O)[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000958590668 670723739 /nfs/dbraw/zinc/72/37/39/670723739.db2.gz BQZMJMQJLUEUOU-OCCSQVGLSA-N 2 0 334.424 -1.180 20 0 EAADRP Cn1cc(CN2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](O)C2)nn1 ZINC000958590669 670723968 /nfs/dbraw/zinc/72/39/68/670723968.db2.gz BQZMJMQJLUEUOU-TZMCWYRMSA-N 2 0 334.424 -1.180 20 0 EAADRP O=C(CN1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590974 670724054 /nfs/dbraw/zinc/72/40/54/670724054.db2.gz DJULEUDUOMULRE-KBPBESRZSA-N 2 0 336.436 -1.277 20 0 EAADRP O=C(CN1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590975 670723954 /nfs/dbraw/zinc/72/39/54/670723954.db2.gz DJULEUDUOMULRE-KGLIPLIRSA-N 2 0 336.436 -1.277 20 0 EAADRP O=C(CN1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590976 670724106 /nfs/dbraw/zinc/72/41/06/670724106.db2.gz DJULEUDUOMULRE-UONOGXRCSA-N 2 0 336.436 -1.277 20 0 EAADRP O=C(CN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)N1CCC1 ZINC000958590977 670724046 /nfs/dbraw/zinc/72/40/46/670724046.db2.gz DJULEUDUOMULRE-ZIAGYGMSSA-N 2 0 336.436 -1.277 20 0 EAADRP O=C(CN1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591459 670723982 /nfs/dbraw/zinc/72/39/82/670723982.db2.gz GZEKZUFXCITMSG-GXTWGEPZSA-N 2 0 336.436 -1.230 20 0 EAADRP O=C(CN1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591468 670724074 /nfs/dbraw/zinc/72/40/74/670724074.db2.gz GZEKZUFXCITMSG-JSGCOSHPSA-N 2 0 336.436 -1.230 20 0 EAADRP O=C(CN1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591470 670724318 /nfs/dbraw/zinc/72/43/18/670724318.db2.gz GZEKZUFXCITMSG-OCCSQVGLSA-N 2 0 336.436 -1.230 20 0 EAADRP O=C(CN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)NC1CC1 ZINC000958591472 670724292 /nfs/dbraw/zinc/72/42/92/670724292.db2.gz GZEKZUFXCITMSG-TZMCWYRMSA-N 2 0 336.436 -1.230 20 0 EAADRP CS(=O)(=O)CCN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958591747 670724359 /nfs/dbraw/zinc/72/43/59/670724359.db2.gz IAVZSAUXKKVFKU-CHWSQXEVSA-N 2 0 345.465 -1.464 20 0 EAADRP CS(=O)(=O)CCN1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591748 670724345 /nfs/dbraw/zinc/72/43/45/670724345.db2.gz IAVZSAUXKKVFKU-OLZOCXBDSA-N 2 0 345.465 -1.464 20 0 EAADRP CS(=O)(=O)CCN1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591749 670724405 /nfs/dbraw/zinc/72/44/05/670724405.db2.gz IAVZSAUXKKVFKU-QWHCGFSZSA-N 2 0 345.465 -1.464 20 0 EAADRP CS(=O)(=O)CCN1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591750 670723789 /nfs/dbraw/zinc/72/37/89/670723789.db2.gz IAVZSAUXKKVFKU-STQMWFEESA-N 2 0 345.465 -1.464 20 0 EAADRP O=C(NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958596006 670725816 /nfs/dbraw/zinc/72/58/16/670725816.db2.gz XVKXTGFNULZIFT-KBPBESRZSA-N 2 0 334.424 -1.217 20 0 EAADRP O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958596007 670725684 /nfs/dbraw/zinc/72/56/84/670725684.db2.gz XVKXTGFNULZIFT-KGLIPLIRSA-N 2 0 334.424 -1.217 20 0 EAADRP O=C(NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958596008 670725516 /nfs/dbraw/zinc/72/55/16/670725516.db2.gz XVKXTGFNULZIFT-UONOGXRCSA-N 2 0 334.424 -1.217 20 0 EAADRP O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958596009 670725801 /nfs/dbraw/zinc/72/58/01/670725801.db2.gz XVKXTGFNULZIFT-ZIAGYGMSSA-N 2 0 334.424 -1.217 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000959953455 671919960 /nfs/dbraw/zinc/91/99/60/671919960.db2.gz MNWLOCBMZBSSNH-MYZSUADSSA-N 2 0 346.435 -1.007 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000959953464 671919813 /nfs/dbraw/zinc/91/98/13/671919813.db2.gz MNWLOCBMZBSSNH-OSRDXIQISA-N 2 0 346.435 -1.007 20 0 EAADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000959963278 671920420 /nfs/dbraw/zinc/92/04/20/671920420.db2.gz CHTYKQFWFDMWCN-NTASLKFISA-N 2 0 349.435 -1.075 20 0 EAADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279132 671987116 /nfs/dbraw/zinc/98/71/16/671987116.db2.gz HJYXLYMINXMJNI-CZFFNBFHSA-N 2 0 348.447 -1.016 20 0 EAADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279138 671987052 /nfs/dbraw/zinc/98/70/52/671987052.db2.gz HJYXLYMINXMJNI-JEIQVTSHSA-N 2 0 348.447 -1.016 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[nH]4)C[C@H]32)C1 ZINC000961787089 672029448 /nfs/dbraw/zinc/02/94/48/672029448.db2.gz JLDFPXBNETZKFE-FJJYHAOUSA-N 2 0 334.424 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0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cn1 ZINC000962016527 672051206 /nfs/dbraw/zinc/05/12/06/672051206.db2.gz KXVDEHWZDAMCEN-LJISPDSOSA-N 2 0 346.435 -1.007 20 0 EAADRP O=C(Cc1ncc[nH]1)N[C@@H]1[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000962148692 672062019 /nfs/dbraw/zinc/06/20/19/672062019.db2.gz OOKHHZHKCKRDMH-HBYGRHMLSA-N 2 0 346.391 -1.060 20 0 EAADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962297559 672073349 /nfs/dbraw/zinc/07/33/49/672073349.db2.gz MOMJEYUPOQAPOK-IMRBUKKESA-N 2 0 347.419 -1.320 20 0 EAADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962299673 672073758 /nfs/dbraw/zinc/07/37/58/672073758.db2.gz SERRUWNKQCSJFZ-CZXHOFHRSA-N 2 0 332.404 -1.066 20 0 EAADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962299675 672073908 /nfs/dbraw/zinc/07/39/08/672073908.db2.gz SERRUWNKQCSJFZ-KZVDOYCCSA-N 2 0 332.404 -1.066 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962304488 672074629 /nfs/dbraw/zinc/07/46/29/672074629.db2.gz HAGATNMTTIODCG-BCUIYNNISA-N 2 0 349.435 -1.074 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962304491 672074695 /nfs/dbraw/zinc/07/46/95/672074695.db2.gz HAGATNMTTIODCG-FOCJUVANSA-N 2 0 349.435 -1.074 20 0 EAADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000962574971 672100179 /nfs/dbraw/zinc/10/01/79/672100179.db2.gz HMBQTCDGZYKZQS-JYAVWHMHSA-N 2 0 335.408 -1.320 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584765 672100796 /nfs/dbraw/zinc/10/07/96/672100796.db2.gz DPTXDORYVLHZOO-CXTNEJHOSA-N 2 0 349.435 -1.074 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584775 672100896 /nfs/dbraw/zinc/10/08/96/672100896.db2.gz DPTXDORYVLHZOO-RMRHIDDWSA-N 2 0 349.435 -1.074 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962596619 672101601 /nfs/dbraw/zinc/10/16/01/672101601.db2.gz YCXRLXRLZOMMSA-CIQGVGRVSA-N 2 0 335.408 -1.464 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962596620 672101915 /nfs/dbraw/zinc/10/19/15/672101915.db2.gz YCXRLXRLZOMMSA-NMKXLXIOSA-N 2 0 335.408 -1.464 20 0 EAADRP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000962651896 672107283 /nfs/dbraw/zinc/10/72/83/672107283.db2.gz IDMLYDCLIQIXQR-CTASWTNQSA-N 2 0 336.436 -1.014 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000963394838 672137908 /nfs/dbraw/zinc/13/79/08/672137908.db2.gz NGWCSANIEUJUQM-KFWWJZLASA-N 2 0 338.452 -1.032 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000963394840 672138026 /nfs/dbraw/zinc/13/80/26/672138026.db2.gz NGWCSANIEUJUQM-ZNMIVQPWSA-N 2 0 338.452 -1.032 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000963419739 672139179 /nfs/dbraw/zinc/13/91/79/672139179.db2.gz HUSGIHMLANTYMV-MCIONIFRSA-N 2 0 336.436 -1.278 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000963419740 672139030 /nfs/dbraw/zinc/13/90/30/672139030.db2.gz HUSGIHMLANTYMV-MJBXVCDLSA-N 2 0 336.436 -1.278 20 0 EAADRP CN1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963451632 672139728 /nfs/dbraw/zinc/13/97/28/672139728.db2.gz FMMUODZGQOCJIA-HZSPNIEDSA-N 2 0 340.424 -1.899 20 0 EAADRP CN1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963451633 672139908 /nfs/dbraw/zinc/13/99/08/672139908.db2.gz FMMUODZGQOCJIA-RDBSUJKOSA-N 2 0 340.424 -1.899 20 0 EAADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000963472623 672140917 /nfs/dbraw/zinc/14/09/17/672140917.db2.gz JSKRGWAYQZKPHV-KGLIPLIRSA-N 2 0 336.436 -1.134 20 0 EAADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2O)CC[N@@H+]1C ZINC000964637117 672238174 /nfs/dbraw/zinc/23/81/74/672238174.db2.gz XROHTQDLJVUNPG-SYQHCUMBSA-N 2 0 335.408 -1.089 20 0 EAADRP Cn1c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC000967708105 672392960 /nfs/dbraw/zinc/39/29/60/672392960.db2.gz BUKCLBOCLQFGBV-OCCSQVGLSA-N 2 0 349.435 -1.131 20 0 EAADRP Cn1c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC000967708106 672392924 /nfs/dbraw/zinc/39/29/24/672392924.db2.gz BUKCLBOCLQFGBV-TZMCWYRMSA-N 2 0 349.435 -1.131 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000967925850 672397573 /nfs/dbraw/zinc/39/75/73/672397573.db2.gz SLGTYUKNTCQZLT-CHWSQXEVSA-N 2 0 337.424 -1.771 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000967925851 672397429 /nfs/dbraw/zinc/39/74/29/672397429.db2.gz SLGTYUKNTCQZLT-OLZOCXBDSA-N 2 0 337.424 -1.771 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)C1 ZINC000968461618 672412658 /nfs/dbraw/zinc/41/26/58/672412658.db2.gz FWOHTNVKDJNYHQ-MCIONIFRSA-N 2 0 335.408 -1.087 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)C1 ZINC000968461619 672412577 /nfs/dbraw/zinc/41/25/77/672412577.db2.gz FWOHTNVKDJNYHQ-MJBXVCDLSA-N 2 0 335.408 -1.087 20 0 EAADRP Cc1nccn1CC(=O)N1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC000968461832 672412623 /nfs/dbraw/zinc/41/26/23/672412623.db2.gz OXGXMJKRYWRFMQ-OLZOCXBDSA-N 2 0 332.364 -1.224 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466401 672412969 /nfs/dbraw/zinc/41/29/69/672412969.db2.gz IMAZWOCSCMRFID-KFWWJZLASA-N 2 0 338.452 -1.032 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466402 672413248 /nfs/dbraw/zinc/41/32/48/672413248.db2.gz IMAZWOCSCMRFID-ZNMIVQPWSA-N 2 0 338.452 -1.032 20 0 EAADRP Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000968956572 672432560 /nfs/dbraw/zinc/43/25/60/672432560.db2.gz HTDQDHKFWSJNGH-MCIONIFRSA-N 2 0 335.408 -1.169 20 0 EAADRP Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000968956573 672432359 /nfs/dbraw/zinc/43/23/59/672432359.db2.gz HTDQDHKFWSJNGH-MJBXVCDLSA-N 2 0 335.408 -1.169 20 0 EAADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1)[NH+](C)C ZINC000969074579 672441395 /nfs/dbraw/zinc/44/13/95/672441395.db2.gz JOSWYBHQALPBHT-CHWSQXEVSA-N 2 0 339.440 -1.525 20 0 EAADRP Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1O ZINC000969078607 672442520 /nfs/dbraw/zinc/44/25/20/672442520.db2.gz UPCHJBAWRLNNBN-IJEWVQPXSA-N 2 0 349.435 -1.009 20 0 EAADRP Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1O ZINC000969078608 672442360 /nfs/dbraw/zinc/44/23/60/672442360.db2.gz UPCHJBAWRLNNBN-YCPHGPKFSA-N 2 0 349.435 -1.009 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969087612 672443638 /nfs/dbraw/zinc/44/36/38/672443638.db2.gz HJBQADCSGAUONL-MCIONIFRSA-N 2 0 336.436 -1.136 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969087617 672443295 /nfs/dbraw/zinc/44/32/95/672443295.db2.gz HJBQADCSGAUONL-RDBSUJKOSA-N 2 0 336.436 -1.136 20 0 EAADRP O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000969089855 672443384 /nfs/dbraw/zinc/44/33/84/672443384.db2.gz AGDBCVMQEQMGFH-KGLIPLIRSA-N 2 0 348.447 -1.134 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092434 672444546 /nfs/dbraw/zinc/44/45/46/672444546.db2.gz HBLQXRALRCLEGG-MCIONIFRSA-N 2 0 336.436 -1.278 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092435 672444348 /nfs/dbraw/zinc/44/43/48/672444348.db2.gz HBLQXRALRCLEGG-MJBXVCDLSA-N 2 0 336.436 -1.278 20 0 EAADRP O=C(C[NH+]1CCCC1)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092490 672444518 /nfs/dbraw/zinc/44/45/18/672444518.db2.gz IVBNXYYHEIAFQW-KGLIPLIRSA-N 2 0 336.436 -1.134 20 0 EAADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1)[NH+](C)C ZINC000969991412 668175700 /nfs/dbraw/zinc/17/57/00/668175700.db2.gz JOSWYBHQALPBHT-OLZOCXBDSA-N 2 0 339.440 -1.525 20 0 EAADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCNC(=O)C1 ZINC000970490277 668254766 /nfs/dbraw/zinc/25/47/66/668254766.db2.gz NVAZCQFWHTYHEJ-CYBMUJFWSA-N 2 0 349.435 -1.769 20 0 EAADRP O=C(N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970494732 668254685 /nfs/dbraw/zinc/25/46/85/668254685.db2.gz WFTISYAVEKLWBG-GFCCVEGCSA-N 2 0 335.408 -1.176 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000970713420 668281098 /nfs/dbraw/zinc/28/10/98/668281098.db2.gz WXPVRWRSBHKZJS-CHWSQXEVSA-N 2 0 337.424 -1.913 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000970713421 668280724 /nfs/dbraw/zinc/28/07/24/668280724.db2.gz WXPVRWRSBHKZJS-QWHCGFSZSA-N 2 0 337.424 -1.913 20 0 EAADRP Cn1c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC000970715407 668281144 /nfs/dbraw/zinc/28/11/44/668281144.db2.gz VRLAVYDQUBBHCW-CHWSQXEVSA-N 2 0 349.435 -1.274 20 0 EAADRP Cn1c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC000970715409 668280828 /nfs/dbraw/zinc/28/08/28/668280828.db2.gz VRLAVYDQUBBHCW-QWHCGFSZSA-N 2 0 349.435 -1.274 20 0 EAADRP Cn1c(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc(=O)n(C)c1=O ZINC000970719893 668282049 /nfs/dbraw/zinc/28/20/49/668282049.db2.gz MUDWUNHMGUOLOQ-CYBMUJFWSA-N 2 0 349.435 -1.130 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000970720597 668281999 /nfs/dbraw/zinc/28/19/99/668281999.db2.gz WDZDRZFOWKHZOI-CYBMUJFWSA-N 2 0 337.424 -1.769 20 0 EAADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970879383 668303505 /nfs/dbraw/zinc/30/35/05/668303505.db2.gz WEFWFTQIEZCABP-NEPJUHHUSA-N 2 0 337.424 -1.074 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970879384 668303453 /nfs/dbraw/zinc/30/34/53/668303453.db2.gz WEFWFTQIEZCABP-NWDGAFQWSA-N 2 0 337.424 -1.074 20 0 EAADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970879385 668303645 /nfs/dbraw/zinc/30/36/45/668303645.db2.gz WEFWFTQIEZCABP-RYUDHWBXSA-N 2 0 337.424 -1.074 20 0 EAADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970879386 668303170 /nfs/dbraw/zinc/30/31/70/668303170.db2.gz WEFWFTQIEZCABP-VXGBXAGGSA-N 2 0 337.424 -1.074 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000977915630 668395076 /nfs/dbraw/zinc/39/50/76/668395076.db2.gz CXHSXUUXHXNUND-YIYPIFLZSA-N 2 0 349.435 -1.074 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC000978180857 668409559 /nfs/dbraw/zinc/40/95/59/668409559.db2.gz OXIFMUHZRNFOMO-XYYAHUGASA-N 2 0 334.424 -1.162 20 0 EAADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553305 668432494 /nfs/dbraw/zinc/43/24/94/668432494.db2.gz HCSFDTTWIVMDID-PXNUUXHUSA-N 2 0 348.447 -1.110 20 0 EAADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553311 668432470 /nfs/dbraw/zinc/43/24/70/668432470.db2.gz HCSFDTTWIVMDID-XMUFFDMDSA-N 2 0 348.447 -1.110 20 0 EAADRP NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978564470 668432940 /nfs/dbraw/zinc/43/29/40/668432940.db2.gz VPYWSTTXYATBGR-BKIWLAKTSA-N 2 0 334.420 -1.371 20 0 EAADRP NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978564480 668432987 /nfs/dbraw/zinc/43/29/87/668432987.db2.gz VPYWSTTXYATBGR-WFAABECBSA-N 2 0 334.420 -1.371 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cn1 ZINC000978834613 668448282 /nfs/dbraw/zinc/44/82/82/668448282.db2.gz BAQFZFZGDGTUJX-ZSOGYDGISA-N 2 0 334.424 -1.162 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000979090347 668459822 /nfs/dbraw/zinc/45/98/22/668459822.db2.gz UHOPTZZTQPVPLC-SYQHCUMBSA-N 2 0 349.435 -1.216 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000979090362 668459707 /nfs/dbraw/zinc/45/97/07/668459707.db2.gz UHOPTZZTQPVPLC-XDQVBPFNSA-N 2 0 349.435 -1.216 20 0 EAADRP CN1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001006994923 672460207 /nfs/dbraw/zinc/46/02/07/672460207.db2.gz BRLHCDWOPQOZSF-KBPBESRZSA-N 2 0 339.440 -1.077 20 0 EAADRP CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001006994926 672460186 /nfs/dbraw/zinc/46/01/86/672460186.db2.gz BRLHCDWOPQOZSF-KGLIPLIRSA-N 2 0 339.440 -1.077 20 0 EAADRP CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001006994929 672460168 /nfs/dbraw/zinc/46/01/68/672460168.db2.gz BRLHCDWOPQOZSF-UONOGXRCSA-N 2 0 339.440 -1.077 20 0 EAADRP CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001006994930 672460114 /nfs/dbraw/zinc/46/01/14/672460114.db2.gz BRLHCDWOPQOZSF-ZIAGYGMSSA-N 2 0 339.440 -1.077 20 0 EAADRP O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016004613 672872296 /nfs/dbraw/zinc/87/22/96/672872296.db2.gz ZLSDDCWKFVKUGF-GFCCVEGCSA-N 2 0 335.408 -1.176 20 0 EAADRP O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016004614 672872566 /nfs/dbraw/zinc/87/25/66/672872566.db2.gz ZLSDDCWKFVKUGF-LBPRGKRZSA-N 2 0 335.408 -1.176 20 0 EAADRP Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC001018615701 672953770 /nfs/dbraw/zinc/95/37/70/672953770.db2.gz BUKCLBOCLQFGBV-GXTWGEPZSA-N 2 0 349.435 -1.131 20 0 EAADRP Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC001018615702 672953843 /nfs/dbraw/zinc/95/38/43/672953843.db2.gz BUKCLBOCLQFGBV-JSGCOSHPSA-N 2 0 349.435 -1.131 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018635836 672954769 /nfs/dbraw/zinc/95/47/69/672954769.db2.gz SLGTYUKNTCQZLT-QWHCGFSZSA-N 2 0 337.424 -1.771 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018635852 672954878 /nfs/dbraw/zinc/95/48/78/672954878.db2.gz SLGTYUKNTCQZLT-STQMWFEESA-N 2 0 337.424 -1.771 20 0 EAADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1)[NH+](C)C ZINC001019034609 672971233 /nfs/dbraw/zinc/97/12/33/672971233.db2.gz JOSWYBHQALPBHT-QWHCGFSZSA-N 2 0 339.440 -1.525 20 0 EAADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1)[NH+](C)C ZINC001019397113 672996396 /nfs/dbraw/zinc/99/63/96/672996396.db2.gz JOSWYBHQALPBHT-STQMWFEESA-N 2 0 339.440 -1.525 20 0 EAADRP O=C(C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCNC(=O)C1 ZINC001019659828 673017798 /nfs/dbraw/zinc/01/77/98/673017798.db2.gz NVAZCQFWHTYHEJ-ZDUSSCGKSA-N 2 0 349.435 -1.769 20 0 EAADRP O=C(N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001019661226 673018545 /nfs/dbraw/zinc/01/85/45/673018545.db2.gz WFTISYAVEKLWBG-LBPRGKRZSA-N 2 0 335.408 -1.176 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001019772929 668858499 /nfs/dbraw/zinc/85/84/99/668858499.db2.gz WXPVRWRSBHKZJS-OLZOCXBDSA-N 2 0 337.424 -1.913 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001019772930 668858331 /nfs/dbraw/zinc/85/83/31/668858331.db2.gz WXPVRWRSBHKZJS-STQMWFEESA-N 2 0 337.424 -1.913 20 0 EAADRP Cn1c(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc(=O)n(C)c1=O ZINC001019774899 668858284 /nfs/dbraw/zinc/85/82/84/668858284.db2.gz MUDWUNHMGUOLOQ-ZDUSSCGKSA-N 2 0 349.435 -1.130 20 0 EAADRP Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001019775079 668858458 /nfs/dbraw/zinc/85/84/58/668858458.db2.gz VRLAVYDQUBBHCW-OLZOCXBDSA-N 2 0 349.435 -1.274 20 0 EAADRP Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001019775080 668858206 /nfs/dbraw/zinc/85/82/06/668858206.db2.gz VRLAVYDQUBBHCW-STQMWFEESA-N 2 0 349.435 -1.274 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019776097 668858320 /nfs/dbraw/zinc/85/83/20/668858320.db2.gz WDZDRZFOWKHZOI-ZDUSSCGKSA-N 2 0 337.424 -1.769 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020025947 673040929 /nfs/dbraw/zinc/04/09/29/673040929.db2.gz ATWZFCAFRDURLU-AVGNSLFASA-N 2 0 337.424 -1.724 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020025948 673041038 /nfs/dbraw/zinc/04/10/38/673041038.db2.gz ATWZFCAFRDURLU-JHJVBQTASA-N 2 0 337.424 -1.724 20 0 EAADRP Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC001020029008 668861304 /nfs/dbraw/zinc/86/13/04/668861304.db2.gz RFGTXRQCJVOLDH-OBJOEFQTSA-N 2 0 349.435 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O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406439 668076418 /nfs/dbraw/zinc/07/64/18/668076418.db2.gz VBVCHXITJBYKAA-SNMVJIHASA-N 2 0 334.420 -1.025 20 0 EAADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406440 668076834 /nfs/dbraw/zinc/07/68/34/668076834.db2.gz VBVCHXITJBYKAA-WGQZWWLSSA-N 2 0 334.420 -1.025 20 0 EAADRP Cn1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001020406447 668076490 /nfs/dbraw/zinc/07/64/90/668076490.db2.gz VIZKYYBTCGYZLA-BTWPUCDJSA-N 2 0 347.423 -1.190 20 0 EAADRP Cn1nnc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001020406448 668076399 /nfs/dbraw/zinc/07/63/99/668076399.db2.gz VIZKYYBTCGYZLA-VECWZWDRSA-N 2 0 347.423 -1.190 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020590143 668158207 /nfs/dbraw/zinc/15/82/07/668158207.db2.gz NHTRFZSHFNSGOG-CYDGBPFRSA-N 2 0 337.424 -1.027 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020590144 668158264 /nfs/dbraw/zinc/15/82/64/668158264.db2.gz NHTRFZSHFNSGOG-FDYHWXHSSA-N 2 0 337.424 -1.027 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020590145 668158189 /nfs/dbraw/zinc/15/81/89/668158189.db2.gz NHTRFZSHFNSGOG-LPWJVIDDSA-N 2 0 337.424 -1.027 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020590146 668158239 /nfs/dbraw/zinc/15/82/39/668158239.db2.gz NHTRFZSHFNSGOG-ZDEQEGDKSA-N 2 0 337.424 -1.027 20 0 EAADRP O=C(C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCNC(=O)C1 ZINC001020934686 668203526 /nfs/dbraw/zinc/20/35/26/668203526.db2.gz YGNATVFPFNROBK-JOCQHMNTSA-N 2 0 349.435 -1.723 20 0 EAADRP O=C(N[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001020935890 668203448 /nfs/dbraw/zinc/20/34/48/668203448.db2.gz OMGDKQKSZRCPHS-HAQNSBGRSA-N 2 0 335.408 -1.129 20 0 EAADRP 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O=C(C[NH+]1CCCC1)N[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001021051946 668217085 /nfs/dbraw/zinc/21/70/85/668217085.db2.gz RWXRWZLMPNWOLQ-JOCQHMNTSA-N 2 0 337.424 -1.723 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001021896966 668333564 /nfs/dbraw/zinc/33/35/64/668333564.db2.gz ATWZFCAFRDURLU-FRRDWIJNSA-N 2 0 337.424 -1.724 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001021896967 668333334 /nfs/dbraw/zinc/33/33/34/668333334.db2.gz ATWZFCAFRDURLU-XQQFMLRXSA-N 2 0 337.424 -1.724 20 0 EAADRP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC001021906551 668333415 /nfs/dbraw/zinc/33/34/15/668333415.db2.gz RFGTXRQCJVOLDH-MBNYWOFBSA-N 2 0 349.435 -1.085 20 0 EAADRP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC001021906552 668333230 /nfs/dbraw/zinc/33/32/30/668333230.db2.gz RFGTXRQCJVOLDH-SCRDCRAPSA-N 2 0 349.435 -1.085 20 0 EAADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001022275056 668354842 /nfs/dbraw/zinc/35/48/42/668354842.db2.gz HEFDZHBDRICTJG-YIYPIFLZSA-N 2 0 339.440 -1.033 20 0 EAADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001022275308 668354459 /nfs/dbraw/zinc/35/44/59/668354459.db2.gz JWAMJKYBFAPBJR-NAWOPXAZSA-N 2 0 338.408 -1.253 20 0 EAADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001022275313 668354781 /nfs/dbraw/zinc/35/47/81/668354781.db2.gz JWAMJKYBFAPBJR-UJPOAAIJSA-N 2 0 338.408 -1.253 20 0 EAADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022452971 668365471 /nfs/dbraw/zinc/36/54/71/668365471.db2.gz VBVCHXITJBYKAA-HELXVEOTSA-N 2 0 334.420 -1.025 20 0 EAADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022452972 668365233 /nfs/dbraw/zinc/36/52/33/668365233.db2.gz VBVCHXITJBYKAA-HQMZDILOSA-N 2 0 334.420 -1.025 20 0 EAADRP O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022452973 668365339 /nfs/dbraw/zinc/36/53/39/668365339.db2.gz VBVCHXITJBYKAA-MMAYTEPVSA-N 2 0 334.420 -1.025 20 0 EAADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022452974 668365426 /nfs/dbraw/zinc/36/54/26/668365426.db2.gz VBVCHXITJBYKAA-WAVPBHNRSA-N 2 0 334.420 -1.025 20 0 EAADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001022473160 668366226 /nfs/dbraw/zinc/36/62/26/668366226.db2.gz KYLNNMBKMGFUIE-RQJABVFESA-N 2 0 340.424 -1.412 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022717034 668386578 /nfs/dbraw/zinc/38/65/78/668386578.db2.gz NHTRFZSHFNSGOG-FVCCEPFGSA-N 2 0 337.424 -1.027 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022717035 668386716 /nfs/dbraw/zinc/38/67/16/668386716.db2.gz NHTRFZSHFNSGOG-NDBYEHHHSA-N 2 0 337.424 -1.027 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022717036 668386607 /nfs/dbraw/zinc/38/66/07/668386607.db2.gz NHTRFZSHFNSGOG-RVMXOQNASA-N 2 0 337.424 -1.027 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022717037 668386710 /nfs/dbraw/zinc/38/67/10/668386710.db2.gz NHTRFZSHFNSGOG-WUHRBBMRSA-N 2 0 337.424 -1.027 20 0 EAADRP O=C(N[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001022981424 668424185 /nfs/dbraw/zinc/42/41/85/668424185.db2.gz OMGDKQKSZRCPHS-TXEJJXNPSA-N 2 0 335.408 -1.129 20 0 EAADRP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCNC(=O)C1 ZINC001022981646 668424309 /nfs/dbraw/zinc/42/43/09/668424309.db2.gz YGNATVFPFNROBK-BETUJISGSA-N 2 0 349.435 -1.723 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001023083904 668442311 /nfs/dbraw/zinc/44/23/11/668442311.db2.gz CYXJMEODNWTUTL-RWMBFGLXSA-N 2 0 337.424 -1.867 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001023083905 668442319 /nfs/dbraw/zinc/44/23/19/668442319.db2.gz CYXJMEODNWTUTL-UPJWGTAASA-N 2 0 337.424 -1.867 20 0 EAADRP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001023086649 668442359 /nfs/dbraw/zinc/44/23/59/668442359.db2.gz SLMZCSGCGHWYEX-RWMBFGLXSA-N 2 0 349.435 -1.228 20 0 EAADRP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001023086650 668442182 /nfs/dbraw/zinc/44/21/82/668442182.db2.gz SLMZCSGCGHWYEX-UPJWGTAASA-N 2 0 349.435 -1.228 20 0 EAADRP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023088973 668442642 /nfs/dbraw/zinc/44/26/42/668442642.db2.gz RWXRWZLMPNWOLQ-BETUJISGSA-N 2 0 337.424 -1.723 20 0 EAADRP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc(=O)n(C)c1=O ZINC001023090303 668444207 /nfs/dbraw/zinc/44/42/07/668444207.db2.gz MUPSJZBLFLQEDB-BETUJISGSA-N 2 0 349.435 -1.083 20 0 EAADRP CCN1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001023115674 668450557 /nfs/dbraw/zinc/45/05/57/668450557.db2.gz RUTWXAWWYIZUAI-HZSPNIEDSA-N 2 0 339.440 -1.031 20 0 EAADRP CCN1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001023115675 668450439 /nfs/dbraw/zinc/45/04/39/668450439.db2.gz RUTWXAWWYIZUAI-MJBXVCDLSA-N 2 0 339.440 -1.031 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023212919 668472311 /nfs/dbraw/zinc/47/23/11/668472311.db2.gz UOKKTZLZQBHSJY-HZSPNIEDSA-N 2 0 336.436 -1.136 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023212920 668472651 /nfs/dbraw/zinc/47/26/51/668472651.db2.gz UOKKTZLZQBHSJY-MGPQQGTHSA-N 2 0 336.436 -1.136 20 0 EAADRP Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023216676 668473587 /nfs/dbraw/zinc/47/35/87/668473587.db2.gz KUPYPPCNPSZFEW-HZSPNIEDSA-N 2 0 335.408 -1.026 20 0 EAADRP 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O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023793588 668575845 /nfs/dbraw/zinc/57/58/45/668575845.db2.gz JSKRGWAYQZKPHV-ZIAGYGMSSA-N 2 0 336.436 -1.134 20 0 EAADRP Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC001023803157 668577456 /nfs/dbraw/zinc/57/74/56/668577456.db2.gz JIRQEXZKCGFFAE-CHWSQXEVSA-N 2 0 332.364 -1.224 20 0 EAADRP Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023803343 668577496 /nfs/dbraw/zinc/57/74/96/668577496.db2.gz LXMIAJJCVAARQB-BFHYXJOUSA-N 2 0 335.408 -1.169 20 0 EAADRP Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023803344 668577508 /nfs/dbraw/zinc/57/75/08/668577508.db2.gz LXMIAJJCVAARQB-MGPQQGTHSA-N 2 0 335.408 -1.169 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416861 668644639 /nfs/dbraw/zinc/64/46/39/668644639.db2.gz IMAZWOCSCMRFID-RBSFLKMASA-N 2 0 338.452 -1.032 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416864 668644549 /nfs/dbraw/zinc/64/45/49/668644549.db2.gz IMAZWOCSCMRFID-RRFJBIMHSA-N 2 0 338.452 -1.032 20 0 EAADRP Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001024417348 668644600 /nfs/dbraw/zinc/64/46/00/668644600.db2.gz OXGXMJKRYWRFMQ-CHWSQXEVSA-N 2 0 332.364 -1.224 20 0 EAADRP O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001024786974 668698406 /nfs/dbraw/zinc/69/84/06/668698406.db2.gz AGDBCVMQEQMGFH-ZIAGYGMSSA-N 2 0 348.447 -1.134 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787271 668697755 /nfs/dbraw/zinc/69/77/55/668697755.db2.gz HJBQADCSGAUONL-MGPQQGTHSA-N 2 0 336.436 -1.136 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024789483 668699504 /nfs/dbraw/zinc/69/95/04/668699504.db2.gz HJBQADCSGAUONL-HZSPNIEDSA-N 2 0 336.436 -1.136 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024790967 668699846 /nfs/dbraw/zinc/69/98/46/668699846.db2.gz HBLQXRALRCLEGG-BFHYXJOUSA-N 2 0 336.436 -1.278 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024790969 668699721 /nfs/dbraw/zinc/69/97/21/668699721.db2.gz HBLQXRALRCLEGG-MGPQQGTHSA-N 2 0 336.436 -1.278 20 0 EAADRP O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024791050 668699888 /nfs/dbraw/zinc/69/98/88/668699888.db2.gz IVBNXYYHEIAFQW-ZIAGYGMSSA-N 2 0 336.436 -1.134 20 0 EAADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799135 668854892 /nfs/dbraw/zinc/85/48/92/668854892.db2.gz YXSSHLXJAVGFHE-JHZZJYKESA-N 2 0 336.436 -1.016 20 0 EAADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799136 685099233 /nfs/dbraw/zinc/09/92/33/685099233.db2.gz YXSSHLXJAVGFHE-NJURLYQPSA-N 2 0 336.436 -1.016 20 0 EAADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799137 685098685 /nfs/dbraw/zinc/09/86/85/685098685.db2.gz YXSSHLXJAVGFHE-SSZWKKLZSA-N 2 0 336.436 -1.016 20 0 EAADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799138 685099141 /nfs/dbraw/zinc/09/91/41/685099141.db2.gz YXSSHLXJAVGFHE-ZHMBSYLPSA-N 2 0 336.436 -1.016 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001025804556 685097266 /nfs/dbraw/zinc/09/72/66/685097266.db2.gz JBOOQPGAUGNPLH-IACUBPJLSA-N 2 0 335.408 -1.018 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001025804557 685097406 /nfs/dbraw/zinc/09/74/06/685097406.db2.gz JBOOQPGAUGNPLH-MRVWCRGKSA-N 2 0 335.408 -1.018 20 0 EAADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908408 668862542 /nfs/dbraw/zinc/86/25/42/668862542.db2.gz IGVPCRRDWIGDOB-HZSDHTGHSA-N 2 0 346.431 -1.216 20 0 EAADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908409 668862570 /nfs/dbraw/zinc/86/25/70/668862570.db2.gz IGVPCRRDWIGDOB-NAAYTTGZSA-N 2 0 346.431 -1.216 20 0 EAADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908410 668862556 /nfs/dbraw/zinc/86/25/56/668862556.db2.gz IGVPCRRDWIGDOB-NCASIDJTSA-N 2 0 346.431 -1.216 20 0 EAADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908411 668862512 /nfs/dbraw/zinc/86/25/12/668862512.db2.gz IGVPCRRDWIGDOB-QDFAOZQBSA-N 2 0 346.431 -1.216 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045553 668068652 /nfs/dbraw/zinc/06/86/52/668068652.db2.gz HVXRNKJRSINEMH-GGAZOKNXSA-N 2 0 349.435 -1.218 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045554 668068741 /nfs/dbraw/zinc/06/87/41/668068741.db2.gz HVXRNKJRSINEMH-JYKNGBAOSA-N 2 0 349.435 -1.218 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045555 668068611 /nfs/dbraw/zinc/06/86/11/668068611.db2.gz HVXRNKJRSINEMH-NTASLKFISA-N 2 0 349.435 -1.218 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045556 668068789 /nfs/dbraw/zinc/06/87/89/668068789.db2.gz HVXRNKJRSINEMH-XOBFJNJYSA-N 2 0 349.435 -1.218 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985446 668829674 /nfs/dbraw/zinc/82/96/74/668829674.db2.gz LRMXDOGNBBYHBJ-CHWSQXEVSA-N 2 0 337.424 -1.072 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985451 668829513 /nfs/dbraw/zinc/82/95/13/668829513.db2.gz LRMXDOGNBBYHBJ-OLZOCXBDSA-N 2 0 337.424 -1.072 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985453 668829683 /nfs/dbraw/zinc/82/96/83/668829683.db2.gz LRMXDOGNBBYHBJ-QWHCGFSZSA-N 2 0 337.424 -1.072 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985455 668829751 /nfs/dbraw/zinc/82/97/51/668829751.db2.gz LRMXDOGNBBYHBJ-STQMWFEESA-N 2 0 337.424 -1.072 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC2CN(CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001031681453 669962279 /nfs/dbraw/zinc/96/22/79/669962279.db2.gz SEJBGCGBSYLVFO-DGCLKSJQSA-N 2 0 337.424 -1.074 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001032181058 669487325 /nfs/dbraw/zinc/48/73/25/669487325.db2.gz AKAALWJYAJEZLA-CABCVRRESA-N 2 0 338.452 -1.031 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001032181059 669487234 /nfs/dbraw/zinc/48/72/34/669487234.db2.gz AKAALWJYAJEZLA-GJZGRUSLSA-N 2 0 338.452 -1.031 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001032182954 669488768 /nfs/dbraw/zinc/48/87/68/669488768.db2.gz WPPBHYGUGMMUFZ-CYBMUJFWSA-N 2 0 337.424 -2.056 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC2CN(CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001032182955 669489097 /nfs/dbraw/zinc/48/90/97/669489097.db2.gz WPPBHYGUGMMUFZ-ZDUSSCGKSA-N 2 0 337.424 -2.056 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001032186846 669492714 /nfs/dbraw/zinc/49/27/14/669492714.db2.gz YBKJVTWSEYDZTQ-CYBMUJFWSA-N 2 0 337.424 -1.072 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001032186847 669492885 /nfs/dbraw/zinc/49/28/85/669492885.db2.gz YBKJVTWSEYDZTQ-ZDUSSCGKSA-N 2 0 337.424 -1.072 20 0 EAADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760843 673128899 /nfs/dbraw/zinc/12/88/99/673128899.db2.gz URTMRIHFTAJLJX-BBRMVZONSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760844 673128850 /nfs/dbraw/zinc/12/88/50/673128850.db2.gz URTMRIHFTAJLJX-CJNGLKHVSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760845 673128923 /nfs/dbraw/zinc/12/89/23/673128923.db2.gz URTMRIHFTAJLJX-CZUORRHYSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760846 673128989 /nfs/dbraw/zinc/12/89/89/673128989.db2.gz URTMRIHFTAJLJX-XJKSGUPXSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040350776 673195429 /nfs/dbraw/zinc/19/54/29/673195429.db2.gz GEPTYHKHZQUDLM-INIZCTEOSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040350779 673195440 /nfs/dbraw/zinc/19/54/40/673195440.db2.gz GEPTYHKHZQUDLM-MRXNPFEDSA-N 2 0 344.456 -1.404 20 0 EAADRP CN1CCO[C@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040794327 669872247 /nfs/dbraw/zinc/87/22/47/669872247.db2.gz DSTWPLBUEHGMKP-BBRMVZONSA-N 2 0 342.440 -1.652 20 0 EAADRP CN1CCO[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040794329 669872225 /nfs/dbraw/zinc/87/22/25/669872225.db2.gz DSTWPLBUEHGMKP-CJNGLKHVSA-N 2 0 342.440 -1.652 20 0 EAADRP CN1CCO[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040794410 669872136 /nfs/dbraw/zinc/87/21/36/669872136.db2.gz DSTWPLBUEHGMKP-CZUORRHYSA-N 2 0 342.440 -1.652 20 0 EAADRP CN1CCO[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040794413 669872200 /nfs/dbraw/zinc/87/22/00/669872200.db2.gz DSTWPLBUEHGMKP-XJKSGUPXSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797347 673260305 /nfs/dbraw/zinc/26/03/05/673260305.db2.gz FABWVICDXMXFND-INIZCTEOSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797349 673260228 /nfs/dbraw/zinc/26/02/28/673260228.db2.gz FABWVICDXMXFND-MRXNPFEDSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040801855 673260520 /nfs/dbraw/zinc/26/05/20/673260520.db2.gz VVSUOCVWSJWXFK-BBRMVZONSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040801856 673260466 /nfs/dbraw/zinc/26/04/66/673260466.db2.gz VVSUOCVWSJWXFK-CJNGLKHVSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040801857 673260677 /nfs/dbraw/zinc/26/06/77/673260677.db2.gz VVSUOCVWSJWXFK-CZUORRHYSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040801858 673260526 /nfs/dbraw/zinc/26/05/26/673260526.db2.gz VVSUOCVWSJWXFK-XJKSGUPXSA-N 2 0 326.441 -1.031 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042098171 673409291 /nfs/dbraw/zinc/40/92/91/673409291.db2.gz OJIPQBZORQIXRN-CYBMUJFWSA-N 2 0 336.436 -1.134 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042098173 673409112 /nfs/dbraw/zinc/40/91/12/673409112.db2.gz OJIPQBZORQIXRN-ZDUSSCGKSA-N 2 0 336.436 -1.134 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042098573 673409188 /nfs/dbraw/zinc/40/91/88/673409188.db2.gz TVGMUDWWTMOJMJ-CYBMUJFWSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042098574 673409276 /nfs/dbraw/zinc/40/92/76/673409276.db2.gz TVGMUDWWTMOJMJ-ZDUSSCGKSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043115019 673550225 /nfs/dbraw/zinc/55/02/25/673550225.db2.gz DDGCSLAPCVTBAY-KBPBESRZSA-N 2 0 338.452 -1.032 20 0 EAADRP C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043115020 673550160 /nfs/dbraw/zinc/55/01/60/673550160.db2.gz DDGCSLAPCVTBAY-KGLIPLIRSA-N 2 0 338.452 -1.032 20 0 EAADRP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043115021 673550201 /nfs/dbraw/zinc/55/02/01/673550201.db2.gz DDGCSLAPCVTBAY-UONOGXRCSA-N 2 0 338.452 -1.032 20 0 EAADRP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043115022 673550287 /nfs/dbraw/zinc/55/02/87/673550287.db2.gz DDGCSLAPCVTBAY-ZIAGYGMSSA-N 2 0 338.452 -1.032 20 0 EAADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043115521 673550590 /nfs/dbraw/zinc/55/05/90/673550590.db2.gz HYGHEQREISWETQ-CHWSQXEVSA-N 2 0 326.441 -1.032 20 0 EAADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043115524 673550894 /nfs/dbraw/zinc/55/08/94/673550894.db2.gz HYGHEQREISWETQ-OLZOCXBDSA-N 2 0 326.441 -1.032 20 0 EAADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043115526 673550758 /nfs/dbraw/zinc/55/07/58/673550758.db2.gz HYGHEQREISWETQ-QWHCGFSZSA-N 2 0 326.441 -1.032 20 0 EAADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043115528 673550612 /nfs/dbraw/zinc/55/06/12/673550612.db2.gz HYGHEQREISWETQ-STQMWFEESA-N 2 0 326.441 -1.032 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001043115808 673551278 /nfs/dbraw/zinc/55/12/78/673551278.db2.gz JRBRRBCXXRXGAE-KBPBESRZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001043115809 673551229 /nfs/dbraw/zinc/55/12/29/673551229.db2.gz JRBRRBCXXRXGAE-KGLIPLIRSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001043115810 673551312 /nfs/dbraw/zinc/55/13/12/673551312.db2.gz JRBRRBCXXRXGAE-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001043115812 673551031 /nfs/dbraw/zinc/55/10/31/673551031.db2.gz JRBRRBCXXRXGAE-ZIAGYGMSSA-N 2 0 338.452 -1.031 20 0 EAADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115864 673551326 /nfs/dbraw/zinc/55/13/26/673551326.db2.gz KDKCPDYQMOYYDC-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115865 673551208 /nfs/dbraw/zinc/55/12/08/673551208.db2.gz KDKCPDYQMOYYDC-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001043115879 673551078 /nfs/dbraw/zinc/55/10/78/673551078.db2.gz KVFYDYQRFUNWJB-AWEZNQCLSA-N 2 0 338.452 -1.031 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001043115880 673551203 /nfs/dbraw/zinc/55/12/03/673551203.db2.gz KVFYDYQRFUNWJB-CQSZACIVSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001043115924 673551084 /nfs/dbraw/zinc/55/10/84/673551084.db2.gz LSTRWDHEHOJLDX-CYBMUJFWSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001043115926 673551176 /nfs/dbraw/zinc/55/11/76/673551176.db2.gz LSTRWDHEHOJLDX-ZDUSSCGKSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116091 673551258 /nfs/dbraw/zinc/55/12/58/673551258.db2.gz MEWPNROMACNFGQ-CYBMUJFWSA-N 2 0 342.440 -1.794 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116092 673551293 /nfs/dbraw/zinc/55/12/93/673551293.db2.gz MEWPNROMACNFGQ-ZDUSSCGKSA-N 2 0 342.440 -1.794 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001043116742 673551778 /nfs/dbraw/zinc/55/17/78/673551778.db2.gz QFMRLSHNTNGRRS-CYBMUJFWSA-N 2 0 336.436 -1.277 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001043116744 673551717 /nfs/dbraw/zinc/55/17/17/673551717.db2.gz QFMRLSHNTNGRRS-ZDUSSCGKSA-N 2 0 336.436 -1.277 20 0 EAADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043117090 673551755 /nfs/dbraw/zinc/55/17/55/673551755.db2.gz STOHEFQBICRDNA-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043117091 673551776 /nfs/dbraw/zinc/55/17/76/673551776.db2.gz STOHEFQBICRDNA-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043117145 673552178 /nfs/dbraw/zinc/55/21/78/673552178.db2.gz UEKHRXQJJNMVDP-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043117146 673552102 /nfs/dbraw/zinc/55/21/02/673552102.db2.gz UEKHRXQJJNMVDP-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118458 673552119 /nfs/dbraw/zinc/55/21/19/673552119.db2.gz YVAIIVIRCZVHAE-KBPBESRZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118460 673552264 /nfs/dbraw/zinc/55/22/64/673552264.db2.gz YVAIIVIRCZVHAE-KGLIPLIRSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118461 673552051 /nfs/dbraw/zinc/55/20/51/673552051.db2.gz YVAIIVIRCZVHAE-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118463 673552209 /nfs/dbraw/zinc/55/22/09/673552209.db2.gz YVAIIVIRCZVHAE-ZIAGYGMSSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001043118506 673552800 /nfs/dbraw/zinc/55/28/00/673552800.db2.gz HNTDCTRFMZGOFW-HZSPNIEDSA-N 2 0 338.452 -1.032 20 0 EAADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001043118513 673552751 /nfs/dbraw/zinc/55/27/51/673552751.db2.gz HNTDCTRFMZGOFW-MGPQQGTHSA-N 2 0 338.452 -1.032 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043118525 673552595 /nfs/dbraw/zinc/55/25/95/673552595.db2.gz ZKVLGKUILRWEAO-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043118527 673552683 /nfs/dbraw/zinc/55/26/83/673552683.db2.gz ZKVLGKUILRWEAO-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043118892 673552726 /nfs/dbraw/zinc/55/27/26/673552726.db2.gz NXCUKCWUCQBFJU-CYBMUJFWSA-N 2 0 326.441 -1.032 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043118893 673552632 /nfs/dbraw/zinc/55/26/32/673552632.db2.gz NXCUKCWUCQBFJU-ZDUSSCGKSA-N 2 0 326.441 -1.032 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124617 673554700 /nfs/dbraw/zinc/55/47/00/673554700.db2.gz SEQLAXRJTRBRHM-UHFFFAOYSA-N 2 0 342.440 -1.650 20 0 EAADRP O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043124981 673554531 /nfs/dbraw/zinc/55/45/31/673554531.db2.gz YXJPKNBOWACHGT-UHFFFAOYSA-N 2 0 336.436 -1.133 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128646 673555822 /nfs/dbraw/zinc/55/58/22/673555822.db2.gz YZGVBPOQVWOFGE-KBPBESRZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128649 673555805 /nfs/dbraw/zinc/55/58/05/673555805.db2.gz YZGVBPOQVWOFGE-KGLIPLIRSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128651 673555742 /nfs/dbraw/zinc/55/57/42/673555742.db2.gz YZGVBPOQVWOFGE-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128654 673555725 /nfs/dbraw/zinc/55/57/25/673555725.db2.gz YZGVBPOQVWOFGE-ZIAGYGMSSA-N 2 0 338.452 -1.031 20 0 EAADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001043157811 673562331 /nfs/dbraw/zinc/56/23/31/673562331.db2.gz LLCHBQHUWKBYDU-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043159851 668945957 /nfs/dbraw/zinc/94/59/57/668945957.db2.gz JZQMSJBMVHAUDG-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043159852 668946121 /nfs/dbraw/zinc/94/61/21/668946121.db2.gz JZQMSJBMVHAUDG-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043180498 673568997 /nfs/dbraw/zinc/56/89/97/673568997.db2.gz QBPNVILWUOWLCI-AWEZNQCLSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043180499 673569039 /nfs/dbraw/zinc/56/90/39/673569039.db2.gz QBPNVILWUOWLCI-CQSZACIVSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001043263567 673577920 /nfs/dbraw/zinc/57/79/20/673577920.db2.gz LWGZOCVZEBQMQR-HZSPNIEDSA-N 2 0 338.452 -1.032 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001043263570 673577765 /nfs/dbraw/zinc/57/77/65/673577765.db2.gz LWGZOCVZEBQMQR-MGPQQGTHSA-N 2 0 338.452 -1.032 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001043266713 673578353 /nfs/dbraw/zinc/57/83/53/673578353.db2.gz KOXCKYITSJYNQZ-CHWSQXEVSA-N 2 0 326.441 -1.032 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001043432241 673606232 /nfs/dbraw/zinc/60/62/32/673606232.db2.gz XMKUAADZQLGXDV-UHFFFAOYSA-N 2 0 344.456 -1.406 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043432790 673606591 /nfs/dbraw/zinc/60/65/91/673606591.db2.gz LFKQBODPOSAOGW-CYBMUJFWSA-N 2 0 326.441 -1.032 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043432791 673606600 /nfs/dbraw/zinc/60/66/00/673606600.db2.gz LFKQBODPOSAOGW-ZDUSSCGKSA-N 2 0 326.441 -1.032 20 0 EAADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461572 673609800 /nfs/dbraw/zinc/60/98/00/673609800.db2.gz DLCQTWDBQLJHKH-AWEZNQCLSA-N 2 0 326.441 -1.032 20 0 EAADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461573 673609840 /nfs/dbraw/zinc/60/98/40/673609840.db2.gz DLCQTWDBQLJHKH-CQSZACIVSA-N 2 0 326.441 -1.032 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043463725 673610184 /nfs/dbraw/zinc/61/01/84/673610184.db2.gz QCKUJSPFVMEKDG-KBPBESRZSA-N 2 0 338.452 -1.032 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043463727 673610333 /nfs/dbraw/zinc/61/03/33/673610333.db2.gz QCKUJSPFVMEKDG-KGLIPLIRSA-N 2 0 338.452 -1.032 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043463729 673610271 /nfs/dbraw/zinc/61/02/71/673610271.db2.gz QCKUJSPFVMEKDG-UONOGXRCSA-N 2 0 338.452 -1.032 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043463731 673610244 /nfs/dbraw/zinc/61/02/44/673610244.db2.gz QCKUJSPFVMEKDG-ZIAGYGMSSA-N 2 0 338.452 -1.032 20 0 EAADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001043677294 673639046 /nfs/dbraw/zinc/63/90/46/673639046.db2.gz GBLZMNXLOMJUNA-CYBMUJFWSA-N 2 0 344.456 -1.406 20 0 EAADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043677813 673639435 /nfs/dbraw/zinc/63/94/35/673639435.db2.gz MRMAJULCAKNOSN-CHWSQXEVSA-N 2 0 326.441 -1.032 20 0 EAADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043677816 673639481 /nfs/dbraw/zinc/63/94/81/673639481.db2.gz MRMAJULCAKNOSN-QWHCGFSZSA-N 2 0 326.441 -1.032 20 0 EAADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043708837 673643293 /nfs/dbraw/zinc/64/32/93/673643293.db2.gz RVNCAWLMWHFRMF-UHFFFAOYSA-N 2 0 326.441 -1.031 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001043709564 673643642 /nfs/dbraw/zinc/64/36/42/673643642.db2.gz ZNHHLMNHBGFVBW-AWEZNQCLSA-N 2 0 338.452 -1.031 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001043709565 673643594 /nfs/dbraw/zinc/64/35/94/673643594.db2.gz ZNHHLMNHBGFVBW-CQSZACIVSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044000311 673697858 /nfs/dbraw/zinc/69/78/58/673697858.db2.gz FYTCISBKYBCOCW-CYBMUJFWSA-N 2 0 342.440 -1.794 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044000312 673697694 /nfs/dbraw/zinc/69/76/94/673697694.db2.gz FYTCISBKYBCOCW-ZDUSSCGKSA-N 2 0 342.440 -1.794 20 0 EAADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044000346 673697794 /nfs/dbraw/zinc/69/77/94/673697794.db2.gz GMAOECNZTBNXBS-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044000894 673698088 /nfs/dbraw/zinc/69/80/88/673698088.db2.gz KPBKRGKJROLBCX-UHFFFAOYSA-N 2 0 344.456 -1.406 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044000903 673698183 /nfs/dbraw/zinc/69/81/83/673698183.db2.gz KSYICBLZCHYKGG-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001044001010 673698126 /nfs/dbraw/zinc/69/81/26/673698126.db2.gz MCBOVDQITNPIFT-CYBMUJFWSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001044001012 673698046 /nfs/dbraw/zinc/69/80/46/673698046.db2.gz MCBOVDQITNPIFT-ZDUSSCGKSA-N 2 0 342.440 -1.652 20 0 EAADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001044001019 673698030 /nfs/dbraw/zinc/69/80/30/673698030.db2.gz MDHSQGLYQQQNSR-CYBMUJFWSA-N 2 0 344.456 -1.406 20 0 EAADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001044001020 673697939 /nfs/dbraw/zinc/69/79/39/673697939.db2.gz MDHSQGLYQQQNSR-ZDUSSCGKSA-N 2 0 344.456 -1.406 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044001620 673698398 /nfs/dbraw/zinc/69/83/98/673698398.db2.gz PYYMABKQKFZFMP-UHFFFAOYSA-N 2 0 330.429 -1.794 20 0 EAADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001653 673698339 /nfs/dbraw/zinc/69/83/39/673698339.db2.gz RADGPWSVOKTWFB-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044002028 673698572 /nfs/dbraw/zinc/69/85/72/673698572.db2.gz WZVOFQPDAUXFFH-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044002032 669067071 /nfs/dbraw/zinc/06/70/71/669067071.db2.gz XDDRNIWENNTDKO-UHFFFAOYSA-N 2 0 342.440 -1.650 20 0 EAADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044011359 673700104 /nfs/dbraw/zinc/70/01/04/673700104.db2.gz OGYSQGSHTMAXBQ-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044011360 673700009 /nfs/dbraw/zinc/70/00/09/673700009.db2.gz OGYSQGSHTMAXBQ-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001044012023 673700410 /nfs/dbraw/zinc/70/04/10/673700410.db2.gz ZIMTYZUDSVOUAT-KBPBESRZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001044012024 673700330 /nfs/dbraw/zinc/70/03/30/673700330.db2.gz ZIMTYZUDSVOUAT-KGLIPLIRSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001044012025 673700313 /nfs/dbraw/zinc/70/03/13/673700313.db2.gz ZIMTYZUDSVOUAT-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001044012030 673700485 /nfs/dbraw/zinc/70/04/85/673700485.db2.gz ZIMTYZUDSVOUAT-ZIAGYGMSSA-N 2 0 338.452 -1.031 20 0 EAADRP O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC001044023510 673701583 /nfs/dbraw/zinc/70/15/83/673701583.db2.gz OMMMWRKOFFJEBV-UHFFFAOYSA-N 2 0 348.447 -1.133 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044024069 673701595 /nfs/dbraw/zinc/70/15/95/673701595.db2.gz YVPOQZPWQLOZAD-CYBMUJFWSA-N 2 0 336.436 -1.134 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044024070 673701906 /nfs/dbraw/zinc/70/19/06/673701906.db2.gz YVPOQZPWQLOZAD-ZDUSSCGKSA-N 2 0 336.436 -1.134 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001044026713 673701967 /nfs/dbraw/zinc/70/19/67/673701967.db2.gz CTMGOIBHZOKPAV-CYBMUJFWSA-N 2 0 336.436 -1.277 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001044026714 673701933 /nfs/dbraw/zinc/70/19/33/673701933.db2.gz CTMGOIBHZOKPAV-ZDUSSCGKSA-N 2 0 336.436 -1.277 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044026833 673701983 /nfs/dbraw/zinc/70/19/83/673701983.db2.gz GPROVGRLTDRDIJ-UHFFFAOYSA-N 2 0 336.436 -1.133 20 0 EAADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001044041269 673703528 /nfs/dbraw/zinc/70/35/28/673703528.db2.gz GBLZMNXLOMJUNA-ZDUSSCGKSA-N 2 0 344.456 -1.406 20 0 EAADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044044244 673704404 /nfs/dbraw/zinc/70/44/04/673704404.db2.gz MRMAJULCAKNOSN-OLZOCXBDSA-N 2 0 326.441 -1.032 20 0 EAADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044044245 673704469 /nfs/dbraw/zinc/70/44/69/673704469.db2.gz MRMAJULCAKNOSN-STQMWFEESA-N 2 0 326.441 -1.032 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001044298980 673727418 /nfs/dbraw/zinc/72/74/18/673727418.db2.gz UITINROJGCFXGR-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001044302520 673727804 /nfs/dbraw/zinc/72/78/04/673727804.db2.gz LDBCLPFGPAJYBZ-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001044302521 673727792 /nfs/dbraw/zinc/72/77/92/673727792.db2.gz LDBCLPFGPAJYBZ-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045392028 673811940 /nfs/dbraw/zinc/81/19/40/673811940.db2.gz NLQRQTKNRXIWOX-CYBMUJFWSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045392032 673812094 /nfs/dbraw/zinc/81/20/94/673812094.db2.gz NLQRQTKNRXIWOX-ZDUSSCGKSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392138 673812047 /nfs/dbraw/zinc/81/20/47/673812047.db2.gz OVKIOHGYKCAHMJ-UHFFFAOYSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001045413746 673814556 /nfs/dbraw/zinc/81/45/56/673814556.db2.gz YJNJHBNJCBHIDI-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001045418233 673814544 /nfs/dbraw/zinc/81/45/44/673814544.db2.gz SMOVIQHTFJLXNO-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001045418234 673814533 /nfs/dbraw/zinc/81/45/33/673814533.db2.gz SMOVIQHTFJLXNO-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045713338 673839727 /nfs/dbraw/zinc/83/97/27/673839727.db2.gz CKPRFAQMFNSHLM-UHFFFAOYSA-N 2 0 330.429 -1.794 20 0 EAADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001045713990 673840028 /nfs/dbraw/zinc/84/00/28/673840028.db2.gz UROBFLDAYLAXHK-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001045713991 673840049 /nfs/dbraw/zinc/84/00/49/673840049.db2.gz UROBFLDAYLAXHK-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001045716249 673840175 /nfs/dbraw/zinc/84/01/75/673840175.db2.gz AVWDXVIGASZIOV-AWEZNQCLSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001045716250 673840067 /nfs/dbraw/zinc/84/00/67/673840067.db2.gz AVWDXVIGASZIOV-CQSZACIVSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045716492 669473678 /nfs/dbraw/zinc/47/36/78/669473678.db2.gz JCZFBERTRTWRDF-UHFFFAOYSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001045716617 673840443 /nfs/dbraw/zinc/84/04/43/673840443.db2.gz LOPJGPGZROZHLP-UHFFFAOYSA-N 2 0 326.441 -1.031 20 0 EAADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001045716751 673840292 /nfs/dbraw/zinc/84/02/92/673840292.db2.gz NMRAYGCCSQQTTL-CHWSQXEVSA-N 2 0 326.441 -1.032 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719783 673840622 /nfs/dbraw/zinc/84/06/22/673840622.db2.gz DKXXAPUBTAIGNZ-CHWSQXEVSA-N 2 0 326.441 -1.175 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719784 673840686 /nfs/dbraw/zinc/84/06/86/673840686.db2.gz DKXXAPUBTAIGNZ-OLZOCXBDSA-N 2 0 326.441 -1.175 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719785 673840616 /nfs/dbraw/zinc/84/06/16/673840616.db2.gz DKXXAPUBTAIGNZ-QWHCGFSZSA-N 2 0 326.441 -1.175 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719786 673840573 /nfs/dbraw/zinc/84/05/73/673840573.db2.gz DKXXAPUBTAIGNZ-STQMWFEESA-N 2 0 326.441 -1.175 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045720117 673840651 /nfs/dbraw/zinc/84/06/51/673840651.db2.gz MVEGQLVKAZPBPC-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045720119 673840930 /nfs/dbraw/zinc/84/09/30/673840930.db2.gz MVEGQLVKAZPBPC-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001045720300 673841030 /nfs/dbraw/zinc/84/10/30/673841030.db2.gz QQDDRPKJFUBELG-AWEZNQCLSA-N 2 0 326.441 -1.032 20 0 EAADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001045720301 673841021 /nfs/dbraw/zinc/84/10/21/673841021.db2.gz QQDDRPKJFUBELG-CQSZACIVSA-N 2 0 326.441 -1.032 20 0 EAADRP CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081549 673858527 /nfs/dbraw/zinc/85/85/27/673858527.db2.gz HICKNBGDTSAHOU-CABCVRRESA-N 2 0 337.468 -1.097 20 0 EAADRP CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081550 673858607 /nfs/dbraw/zinc/85/86/07/673858607.db2.gz HICKNBGDTSAHOU-GJZGRUSLSA-N 2 0 337.468 -1.097 20 0 EAADRP CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081639 673858361 /nfs/dbraw/zinc/85/83/61/673858361.db2.gz HICKNBGDTSAHOU-HUUCEWRRSA-N 2 0 337.468 -1.097 20 0 EAADRP CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081640 673858554 /nfs/dbraw/zinc/85/85/54/673858554.db2.gz HICKNBGDTSAHOU-LSDHHAIUSA-N 2 0 337.468 -1.097 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001046525430 673876336 /nfs/dbraw/zinc/87/63/36/673876336.db2.gz IWFVMIZZVXMDRV-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046531689 673876441 /nfs/dbraw/zinc/87/64/41/673876441.db2.gz UKIKWGGNTVMHHI-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046531787 673876708 /nfs/dbraw/zinc/87/67/08/673876708.db2.gz UKIKWGGNTVMHHI-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001046676040 673889401 /nfs/dbraw/zinc/88/94/01/673889401.db2.gz AOVNMEGNXAHLOA-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001046676042 673889440 /nfs/dbraw/zinc/88/94/40/673889440.db2.gz AOVNMEGNXAHLOA-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001046685943 673891477 /nfs/dbraw/zinc/89/14/77/673891477.db2.gz XYFGGHBWPRSWPY-KBPBESRZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001046685944 673891412 /nfs/dbraw/zinc/89/14/12/673891412.db2.gz XYFGGHBWPRSWPY-KGLIPLIRSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001046685945 673891503 /nfs/dbraw/zinc/89/15/03/673891503.db2.gz XYFGGHBWPRSWPY-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001046685946 673891341 /nfs/dbraw/zinc/89/13/41/673891341.db2.gz XYFGGHBWPRSWPY-ZIAGYGMSSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046691401 673892223 /nfs/dbraw/zinc/89/22/23/673892223.db2.gz IKUHZZMZLAZOPB-KBPBESRZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046691403 673892116 /nfs/dbraw/zinc/89/21/16/673892116.db2.gz IKUHZZMZLAZOPB-KGLIPLIRSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046691405 673892046 /nfs/dbraw/zinc/89/20/46/673892046.db2.gz IKUHZZMZLAZOPB-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046691407 673891950 /nfs/dbraw/zinc/89/19/50/673891950.db2.gz IKUHZZMZLAZOPB-ZIAGYGMSSA-N 2 0 338.452 -1.031 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046691705 673892244 /nfs/dbraw/zinc/89/22/44/673892244.db2.gz KMWZWSRMVCYQLA-CHWSQXEVSA-N 2 0 326.441 -1.175 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046691706 673892017 /nfs/dbraw/zinc/89/20/17/673892017.db2.gz KMWZWSRMVCYQLA-OLZOCXBDSA-N 2 0 326.441 -1.175 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046691707 673892149 /nfs/dbraw/zinc/89/21/49/673892149.db2.gz KMWZWSRMVCYQLA-QWHCGFSZSA-N 2 0 326.441 -1.175 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046691708 673892419 /nfs/dbraw/zinc/89/24/19/673892419.db2.gz KMWZWSRMVCYQLA-STQMWFEESA-N 2 0 326.441 -1.175 20 0 EAADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047384261 673942348 /nfs/dbraw/zinc/94/23/48/673942348.db2.gz PLNIVEBXSIYSDJ-GJZGRUSLSA-N 2 0 339.440 -1.056 20 0 EAADRP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384510 673942308 /nfs/dbraw/zinc/94/23/08/673942308.db2.gz VUTCGDYYJVEZGI-QEJZJMRPSA-N 2 0 339.440 -1.057 20 0 EAADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384511 673942268 /nfs/dbraw/zinc/94/22/68/673942268.db2.gz VUTCGDYYJVEZGI-SNPRPXQTSA-N 2 0 339.440 -1.057 20 0 EAADRP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047463697 673953467 /nfs/dbraw/zinc/95/34/67/673953467.db2.gz NOJMRZCRLWHLDE-AUUXXJPVSA-N 2 0 339.436 -1.265 20 0 EAADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047463698 673953393 /nfs/dbraw/zinc/95/33/93/673953393.db2.gz NOJMRZCRLWHLDE-WHJSIAKGSA-N 2 0 339.436 -1.265 20 0 EAADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463803 673953213 /nfs/dbraw/zinc/95/32/13/673953213.db2.gz SZJQEOQBKRTMEY-AUUXXJPVSA-N 2 0 339.436 -1.001 20 0 EAADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463804 673953158 /nfs/dbraw/zinc/95/31/58/673953158.db2.gz SZJQEOQBKRTMEY-WHJSIAKGSA-N 2 0 339.436 -1.001 20 0 EAADRP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047463919 673953373 /nfs/dbraw/zinc/95/33/73/673953373.db2.gz WBENANZFSWRIFD-GARWAMKOSA-N 2 0 325.409 -1.655 20 0 EAADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047463920 673953765 /nfs/dbraw/zinc/95/37/65/673953765.db2.gz WBENANZFSWRIFD-JGNFHWBKSA-N 2 0 325.409 -1.655 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CN(CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527280 673962706 /nfs/dbraw/zinc/96/27/06/673962706.db2.gz AURSQGXZJYSXKX-IHRRRGAJSA-N 2 0 326.441 -1.080 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CN(CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527281 673962607 /nfs/dbraw/zinc/96/26/07/673962607.db2.gz AURSQGXZJYSXKX-RDBSUJKOSA-N 2 0 326.441 -1.080 20 0 EAADRP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047559574 673965411 /nfs/dbraw/zinc/96/54/11/673965411.db2.gz YFWSPYYMSZHOQC-QEJZJMRPSA-N 2 0 339.440 -1.057 20 0 EAADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047559576 673965329 /nfs/dbraw/zinc/96/53/29/673965329.db2.gz YFWSPYYMSZHOQC-SNPRPXQTSA-N 2 0 339.440 -1.057 20 0 EAADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047559595 673965350 /nfs/dbraw/zinc/96/53/50/673965350.db2.gz YSBMIGALZJBURT-GJZGRUSLSA-N 2 0 339.440 -1.056 20 0 EAADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047561584 673965321 /nfs/dbraw/zinc/96/53/21/673965321.db2.gz NAAOHDOMNWOFIH-KBPBESRZSA-N 2 0 325.413 -1.446 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC001048825371 674033439 /nfs/dbraw/zinc/03/34/39/674033439.db2.gz SHGLGPOOIMAYDQ-BETUJISGSA-N 2 0 334.424 -1.066 20 0 EAADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832990 674033944 /nfs/dbraw/zinc/03/39/44/674033944.db2.gz HUZJCYGZBQJCBD-BARDWOONSA-N 2 0 336.436 -1.014 20 0 EAADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832991 674034025 /nfs/dbraw/zinc/03/40/25/674034025.db2.gz HUZJCYGZBQJCBD-LJISPDSOSA-N 2 0 336.436 -1.014 20 0 EAADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832992 674034000 /nfs/dbraw/zinc/03/40/00/674034000.db2.gz HUZJCYGZBQJCBD-LXTVHRRPSA-N 2 0 336.436 -1.014 20 0 EAADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832993 674034049 /nfs/dbraw/zinc/03/40/49/674034049.db2.gz HUZJCYGZBQJCBD-XGUBFFRZSA-N 2 0 336.436 -1.014 20 0 EAADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048874100 674040610 /nfs/dbraw/zinc/04/06/10/674040610.db2.gz ROKHECUBVIVGEW-IHRRRGAJSA-N 2 0 326.441 -1.080 20 0 EAADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048874102 674040576 /nfs/dbraw/zinc/04/05/76/674040576.db2.gz ROKHECUBVIVGEW-RDBSUJKOSA-N 2 0 326.441 -1.080 20 0 EAADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944161 674046682 /nfs/dbraw/zinc/04/66/82/674046682.db2.gz PTFAODAMQVYCMX-IVXJQHRYSA-N 2 0 348.447 -1.014 20 0 EAADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944162 674046644 /nfs/dbraw/zinc/04/66/44/674046644.db2.gz PTFAODAMQVYCMX-QAVLVDEHSA-N 2 0 348.447 -1.014 20 0 EAADRP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944379 674046381 /nfs/dbraw/zinc/04/63/81/674046381.db2.gz VOPVJLHDWCLVKF-QGJIUJSSSA-N 2 0 334.420 -1.275 20 0 EAADRP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944380 674046503 /nfs/dbraw/zinc/04/65/03/674046503.db2.gz VOPVJLHDWCLVKF-ZYZJXQEISA-N 2 0 334.420 -1.275 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)cn1 ZINC001049109554 674068141 /nfs/dbraw/zinc/06/81/41/674068141.db2.gz UQWHZIBZUSZVRF-OKILXGFUSA-N 2 0 334.424 -1.066 20 0 EAADRP CN(C(=O)COCC[NH+](C)C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049115879 674069304 /nfs/dbraw/zinc/06/93/04/674069304.db2.gz VPIALJDRWXKNOU-KBPBESRZSA-N 2 0 344.456 -1.454 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049215026 674080522 /nfs/dbraw/zinc/08/05/22/674080522.db2.gz GOPBUCRCGBKMOX-MCIONIFRSA-N 2 0 349.435 -1.120 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049215027 674080138 /nfs/dbraw/zinc/08/01/38/674080138.db2.gz GOPBUCRCGBKMOX-MELADBBJSA-N 2 0 349.435 -1.120 20 0 EAADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001049435720 674089739 /nfs/dbraw/zinc/08/97/39/674089739.db2.gz RRHCTCFBFCDYBK-KBPBESRZSA-N 2 0 344.456 -1.454 20 0 EAADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049435832 674089705 /nfs/dbraw/zinc/08/97/05/674089705.db2.gz SLEZZESGAFUJAZ-IHRRRGAJSA-N 2 0 326.441 -1.080 20 0 EAADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049435833 674089641 /nfs/dbraw/zinc/08/96/41/674089641.db2.gz SLEZZESGAFUJAZ-RDBSUJKOSA-N 2 0 326.441 -1.080 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051935184 672860103 /nfs/dbraw/zinc/86/01/03/672860103.db2.gz SUXGKWHICWJOAG-CHWSQXEVSA-N 2 0 338.408 -1.296 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051935185 672860448 /nfs/dbraw/zinc/86/04/48/672860448.db2.gz SUXGKWHICWJOAG-OLZOCXBDSA-N 2 0 338.408 -1.296 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051935186 672860228 /nfs/dbraw/zinc/86/02/28/672860228.db2.gz SUXGKWHICWJOAG-QWHCGFSZSA-N 2 0 338.408 -1.296 20 0 EAADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051935187 672860322 /nfs/dbraw/zinc/86/03/22/672860322.db2.gz SUXGKWHICWJOAG-STQMWFEESA-N 2 0 338.408 -1.296 20 0 EAADRP COCC(=O)NCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001055495152 674193319 /nfs/dbraw/zinc/19/33/19/674193319.db2.gz JHZZTGHZLGJSOF-UHFFFAOYSA-N 2 0 344.456 -1.092 20 0 EAADRP CC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055500756 674193775 /nfs/dbraw/zinc/19/37/75/674193775.db2.gz LIGASDKVSIMMJN-UHFFFAOYSA-N 2 0 341.456 -1.229 20 0 EAADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)CNC(N)=O)CC1 ZINC001055512916 674194562 /nfs/dbraw/zinc/19/45/62/674194562.db2.gz WPBJJOFJYRBGPS-UHFFFAOYSA-N 2 0 342.444 -1.697 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055544996 674195956 /nfs/dbraw/zinc/19/59/56/674195956.db2.gz BLLVGCVLDZCVMY-GFCCVEGCSA-N 2 0 325.413 -1.737 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055544997 674196013 /nfs/dbraw/zinc/19/60/13/674196013.db2.gz BLLVGCVLDZCVMY-LBPRGKRZSA-N 2 0 325.413 -1.737 20 0 EAADRP CC[C@H](C(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001055546442 674196174 /nfs/dbraw/zinc/19/61/74/674196174.db2.gz AETCZNNBAXEQSH-CYBMUJFWSA-N 2 0 341.456 -1.101 20 0 EAADRP CC[C@@H](C(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001055546443 674196004 /nfs/dbraw/zinc/19/60/04/674196004.db2.gz AETCZNNBAXEQSH-ZDUSSCGKSA-N 2 0 341.456 -1.101 20 0 EAADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546459 674196214 /nfs/dbraw/zinc/19/62/14/674196214.db2.gz AVJCSJOIIAIZSV-UHFFFAOYSA-N 2 0 327.429 -1.490 20 0 EAADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546557 674196231 /nfs/dbraw/zinc/19/62/31/674196231.db2.gz DSVHWVPUSKQUOI-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546611 674196156 /nfs/dbraw/zinc/19/61/56/674196156.db2.gz FDBMHRALEZNZNA-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546946 674196591 /nfs/dbraw/zinc/19/65/91/674196591.db2.gz MOUPLLWPFPDZJE-CYBMUJFWSA-N 2 0 339.440 -1.347 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546948 674196428 /nfs/dbraw/zinc/19/64/28/674196428.db2.gz MOUPLLWPFPDZJE-ZDUSSCGKSA-N 2 0 339.440 -1.347 20 0 EAADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546989 674196361 /nfs/dbraw/zinc/19/63/61/674196361.db2.gz OANRGNCRHCBTOK-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055547134 674196583 /nfs/dbraw/zinc/19/65/83/674196583.db2.gz ROKPKBCOUYYVAO-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP NC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055548159 674196861 /nfs/dbraw/zinc/19/68/61/674196861.db2.gz HEOILGGQWXFAMN-UHFFFAOYSA-N 2 0 339.440 -1.346 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055548293 674196876 /nfs/dbraw/zinc/19/68/76/674196876.db2.gz LGSLEWHTUCCZOD-UHFFFAOYSA-N 2 0 341.456 -1.101 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)CC(N)=O)CC2)C1 ZINC001055548521 674196890 /nfs/dbraw/zinc/19/68/90/674196890.db2.gz PIVAXAJVCVKGDX-GFCCVEGCSA-N 2 0 339.440 -1.490 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC(N)=O)CC2)C1 ZINC001055548522 674196894 /nfs/dbraw/zinc/19/68/94/674196894.db2.gz PIVAXAJVCVKGDX-LBPRGKRZSA-N 2 0 339.440 -1.490 20 0 EAADRP CNC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055565361 674197678 /nfs/dbraw/zinc/19/76/78/674197678.db2.gz ZYJQBUUJHJFNSD-UHFFFAOYSA-N 2 0 341.456 -1.229 20 0 EAADRP NC(=O)C(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055577831 674198838 /nfs/dbraw/zinc/19/88/38/674198838.db2.gz CAMWGCAJMMHQBY-UHFFFAOYSA-N 2 0 325.413 -1.736 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)CC(N)=O)CC2)C1 ZINC001055577845 674198890 /nfs/dbraw/zinc/19/88/90/674198890.db2.gz CLUUMNHTUFGOQK-GFCCVEGCSA-N 2 0 339.440 -1.490 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC(N)=O)CC2)C1 ZINC001055577846 674198964 /nfs/dbraw/zinc/19/89/64/674198964.db2.gz CLUUMNHTUFGOQK-LBPRGKRZSA-N 2 0 339.440 -1.490 20 0 EAADRP NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578590 674198854 /nfs/dbraw/zinc/19/88/54/674198854.db2.gz QGABOECVGBELAK-UHFFFAOYSA-N 2 0 339.440 -1.346 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055578593 674198811 /nfs/dbraw/zinc/19/88/11/674198811.db2.gz QIDKRYFMVRZYKS-LLVKDONJSA-N 2 0 325.413 -1.880 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055578594 674198793 /nfs/dbraw/zinc/19/87/93/674198793.db2.gz QIDKRYFMVRZYKS-NSHDSACASA-N 2 0 325.413 -1.880 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055579339 674198743 /nfs/dbraw/zinc/19/87/43/674198743.db2.gz ANEXQXUQUYDELW-UHFFFAOYSA-N 2 0 327.429 -1.490 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055579917 674198918 /nfs/dbraw/zinc/19/89/18/674198918.db2.gz OPXFFFSEGACJOB-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001055583356 674199379 /nfs/dbraw/zinc/19/93/79/674199379.db2.gz KRBOBWJGRDXADE-DGCLKSJQSA-N 2 0 339.440 -1.491 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055589272 674199244 /nfs/dbraw/zinc/19/92/44/674199244.db2.gz DYHPUBUFKFDZFW-UHFFFAOYSA-N 2 0 327.429 -1.491 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055589878 674199189 /nfs/dbraw/zinc/19/91/89/674199189.db2.gz SOFKQPYMRYLYKR-UHFFFAOYSA-N 2 0 341.456 -1.101 20 0 EAADRP CC(C)[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)[NH+](C)C ZINC001055590537 674199525 /nfs/dbraw/zinc/19/95/25/674199525.db2.gz WLFPBVOFGSLMPA-ZDUSSCGKSA-N 2 0 341.456 -1.245 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)C1CC1 ZINC001055590565 674199649 /nfs/dbraw/zinc/19/96/49/674199649.db2.gz XBRMRUWDYZXYSZ-CYBMUJFWSA-N 2 0 339.440 -1.491 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)C1CC1 ZINC001055590566 674199673 /nfs/dbraw/zinc/19/96/73/674199673.db2.gz XBRMRUWDYZXYSZ-ZDUSSCGKSA-N 2 0 339.440 -1.491 20 0 EAADRP C[N@H+](CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)C1CCC1 ZINC001055592511 674199797 /nfs/dbraw/zinc/19/97/97/674199797.db2.gz RTNJHFVSLHWSTC-UHFFFAOYSA-N 2 0 339.440 -1.347 20 0 EAADRP CC[C@H](C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)[NH+](C)C ZINC001055593995 674199791 /nfs/dbraw/zinc/19/97/91/674199791.db2.gz DTCCPWYQFSVGKC-GFCCVEGCSA-N 2 0 327.429 -1.491 20 0 EAADRP C[NH+]1CCC(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CC1 ZINC001055595669 674200045 /nfs/dbraw/zinc/20/00/45/674200045.db2.gz ALVAGVKRMGFKLN-UHFFFAOYSA-N 2 0 339.440 -1.490 20 0 EAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055598374 674200771 /nfs/dbraw/zinc/20/07/71/674200771.db2.gz RQIYCVZJTGRKQK-CYBMUJFWSA-N 2 0 339.440 -1.347 20 0 EAADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055598375 674200819 /nfs/dbraw/zinc/20/08/19/674200819.db2.gz RQIYCVZJTGRKQK-ZDUSSCGKSA-N 2 0 339.440 -1.347 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055601760 674200412 /nfs/dbraw/zinc/20/04/12/674200412.db2.gz ATSOCYFCIATDAL-UHFFFAOYSA-N 2 0 343.428 -2.253 20 0 EAADRP CC[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)[NH+](C)C ZINC001055601842 674200721 /nfs/dbraw/zinc/20/07/21/674200721.db2.gz DTCCPWYQFSVGKC-LBPRGKRZSA-N 2 0 327.429 -1.491 20 0 EAADRP NC(=O)C(=O)NC1CC[NH+](CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055601887 674200507 /nfs/dbraw/zinc/20/05/07/674200507.db2.gz GSPZBFPLWMHOFS-UHFFFAOYSA-N 2 0 337.424 -1.736 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055601933 674200630 /nfs/dbraw/zinc/20/06/30/674200630.db2.gz ILHHMWUNEQRQFM-GFCCVEGCSA-N 2 0 339.440 -1.490 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055601934 674200679 /nfs/dbraw/zinc/20/06/79/674200679.db2.gz ILHHMWUNEQRQFM-LBPRGKRZSA-N 2 0 339.440 -1.490 20 0 EAADRP COCC(=O)NC1CC[NH+](CCNC(=O)COCC[NH+](C)C)CC1 ZINC001055601987 674200793 /nfs/dbraw/zinc/20/07/93/674200793.db2.gz KNPUXCITHKHDFX-UHFFFAOYSA-N 2 0 344.456 -1.092 20 0 EAADRP C[NH+](C)CCCCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055605875 674201348 /nfs/dbraw/zinc/20/13/48/674201348.db2.gz YGANIOKEYGNXGY-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055606534 674201051 /nfs/dbraw/zinc/20/10/51/674201051.db2.gz HIAPGVDZZFZQID-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055606780 674201150 /nfs/dbraw/zinc/20/11/50/674201150.db2.gz LTSNRAPPHMYXGK-UHFFFAOYSA-N 2 0 327.429 -1.490 20 0 EAADRP CCC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055607228 674201205 /nfs/dbraw/zinc/20/12/05/674201205.db2.gz VUUNTEMYVBKYBS-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP CC(C)[C@H](C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)[NH+](C)C ZINC001055607252 674201198 /nfs/dbraw/zinc/20/11/98/674201198.db2.gz WLFPBVOFGSLMPA-CYBMUJFWSA-N 2 0 341.456 -1.245 20 0 EAADRP C[NH+](C)CC1(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CC1 ZINC001055625354 674202646 /nfs/dbraw/zinc/20/26/46/674202646.db2.gz ACRRSCZZLOTOJJ-UHFFFAOYSA-N 2 0 339.440 -1.490 20 0 EAADRP C[NH+](C)CCCC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055626498 674203109 /nfs/dbraw/zinc/20/31/09/674203109.db2.gz WEVTVHFGAWOUGH-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP C[NH+](C)CCCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055626630 674203012 /nfs/dbraw/zinc/20/30/12/674203012.db2.gz ZXIUESKHLCIFMI-UHFFFAOYSA-N 2 0 327.429 -1.490 20 0 EAADRP CNC(=O)CC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633105 674206457 /nfs/dbraw/zinc/20/64/57/674206457.db2.gz ASSRAOMKNCMCBL-UHFFFAOYSA-N 2 0 341.456 -1.229 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055633211 674206423 /nfs/dbraw/zinc/20/64/23/674206423.db2.gz FZGIDYQBSQBWGB-UHFFFAOYSA-N 2 0 327.429 -1.490 20 0 EAADRP CC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633373 674206227 /nfs/dbraw/zinc/20/62/27/674206227.db2.gz LTQJUNTUDPNOJX-UHFFFAOYSA-N 2 0 341.456 -1.229 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001055633704 674206373 /nfs/dbraw/zinc/20/63/73/674206373.db2.gz ZOSBMAHLSXZBEW-UHFFFAOYSA-N 2 0 342.444 -1.697 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055642838 674206467 /nfs/dbraw/zinc/20/64/67/674206467.db2.gz OIYRCCQVOHRQND-UHFFFAOYSA-N 2 0 341.456 -1.100 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055643200 674206390 /nfs/dbraw/zinc/20/63/90/674206390.db2.gz YOGARJGOMLVURS-UHFFFAOYSA-N 2 0 327.429 -1.490 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644671 674206259 /nfs/dbraw/zinc/20/62/59/674206259.db2.gz AKZXFXMOARRMQT-AAEUAGOBSA-N 2 0 339.440 -1.634 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644672 674206188 /nfs/dbraw/zinc/20/61/88/674206188.db2.gz AKZXFXMOARRMQT-DGCLKSJQSA-N 2 0 339.440 -1.634 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644673 674206410 /nfs/dbraw/zinc/20/64/10/674206410.db2.gz AKZXFXMOARRMQT-WCQYABFASA-N 2 0 339.440 -1.634 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644674 674206402 /nfs/dbraw/zinc/20/64/02/674206402.db2.gz AKZXFXMOARRMQT-YPMHNXCESA-N 2 0 339.440 -1.634 20 0 EAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644690 674206306 /nfs/dbraw/zinc/20/63/06/674206306.db2.gz BBUGFFDQGIDGJG-GFCCVEGCSA-N 2 0 339.440 -1.347 20 0 EAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644691 674206293 /nfs/dbraw/zinc/20/62/93/674206293.db2.gz BBUGFFDQGIDGJG-LBPRGKRZSA-N 2 0 339.440 -1.347 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055645208 674206848 /nfs/dbraw/zinc/20/68/48/674206848.db2.gz OHNTXMORAIAPMR-GFCCVEGCSA-N 2 0 339.440 -1.490 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055645209 674206800 /nfs/dbraw/zinc/20/68/00/674206800.db2.gz OHNTXMORAIAPMR-LBPRGKRZSA-N 2 0 339.440 -1.490 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057212664 672591396 /nfs/dbraw/zinc/59/13/96/672591396.db2.gz SGAQHQGQCLCRRJ-AWEZNQCLSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057212665 672591460 /nfs/dbraw/zinc/59/14/60/672591460.db2.gz SGAQHQGQCLCRRJ-CQSZACIVSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057213898 672593200 /nfs/dbraw/zinc/59/32/00/672593200.db2.gz QODJEEPWJCTTBC-KBPBESRZSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057213899 672593259 /nfs/dbraw/zinc/59/32/59/672593259.db2.gz QODJEEPWJCTTBC-KGLIPLIRSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057213900 672593510 /nfs/dbraw/zinc/59/35/10/672593510.db2.gz QODJEEPWJCTTBC-UONOGXRCSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057213901 672593042 /nfs/dbraw/zinc/59/30/42/672593042.db2.gz QODJEEPWJCTTBC-ZIAGYGMSSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057631842 672743349 /nfs/dbraw/zinc/74/33/49/672743349.db2.gz DTQQXPUSPFDBEH-KBPBESRZSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057631843 672743164 /nfs/dbraw/zinc/74/31/64/672743164.db2.gz DTQQXPUSPFDBEH-KGLIPLIRSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057631844 672743408 /nfs/dbraw/zinc/74/34/08/672743408.db2.gz DTQQXPUSPFDBEH-UONOGXRCSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057631845 672743373 /nfs/dbraw/zinc/74/33/73/672743373.db2.gz DTQQXPUSPFDBEH-ZIAGYGMSSA-N 2 0 326.441 -1.031 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001057632078 672743250 /nfs/dbraw/zinc/74/32/50/672743250.db2.gz GNUXBXDRYKNVGD-AWEZNQCLSA-N 2 0 338.452 -1.029 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001057632079 672743344 /nfs/dbraw/zinc/74/33/44/672743344.db2.gz GNUXBXDRYKNVGD-CQSZACIVSA-N 2 0 338.452 -1.029 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057632795 672744054 /nfs/dbraw/zinc/74/40/54/672744054.db2.gz XYMIKPYYGXZDNN-AWEZNQCLSA-N 2 0 344.456 -1.547 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057632796 672744354 /nfs/dbraw/zinc/74/43/54/672744354.db2.gz XYMIKPYYGXZDNN-CQSZACIVSA-N 2 0 344.456 -1.547 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001057636409 672745920 /nfs/dbraw/zinc/74/59/20/672745920.db2.gz RCMREEPRBSFJDX-AWEZNQCLSA-N 2 0 326.441 -1.029 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001057636411 672745932 /nfs/dbraw/zinc/74/59/32/672745932.db2.gz RCMREEPRBSFJDX-CQSZACIVSA-N 2 0 326.441 -1.029 20 0 EAADRP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001057636828 672746357 /nfs/dbraw/zinc/74/63/57/672746357.db2.gz ZROQJTSKBHQQEV-KBPBESRZSA-N 2 0 326.441 -1.173 20 0 EAADRP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001057636829 672746265 /nfs/dbraw/zinc/74/62/65/672746265.db2.gz ZROQJTSKBHQQEV-KGLIPLIRSA-N 2 0 326.441 -1.173 20 0 EAADRP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001057636830 672746323 /nfs/dbraw/zinc/74/63/23/672746323.db2.gz ZROQJTSKBHQQEV-UONOGXRCSA-N 2 0 326.441 -1.173 20 0 EAADRP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001057636831 672746371 /nfs/dbraw/zinc/74/63/71/672746371.db2.gz ZROQJTSKBHQQEV-ZIAGYGMSSA-N 2 0 326.441 -1.173 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640174 672747794 /nfs/dbraw/zinc/74/77/94/672747794.db2.gz DKPNZIBDDNGKSY-UHFFFAOYSA-N 2 0 344.456 -1.403 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057642815 672749315 /nfs/dbraw/zinc/74/93/15/672749315.db2.gz WHFIGGMSTLTYJN-AWEZNQCLSA-N 2 0 326.441 -1.029 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057642817 672749358 /nfs/dbraw/zinc/74/93/58/672749358.db2.gz WHFIGGMSTLTYJN-CQSZACIVSA-N 2 0 326.441 -1.029 20 0 EAADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057659530 672756707 /nfs/dbraw/zinc/75/67/07/672756707.db2.gz SGTGKAZYIURSNM-UHFFFAOYSA-N 2 0 346.472 -1.157 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057863121 672922044 /nfs/dbraw/zinc/92/20/44/672922044.db2.gz GOURGIVUYQFVIT-UHFFFAOYSA-N 2 0 346.472 -1.158 20 0 EAADRP CC[C@H](C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C)[NH+](C)C ZINC001057974963 672948073 /nfs/dbraw/zinc/94/80/73/672948073.db2.gz AYGWPAJLOXJXGR-CQSZACIVSA-N 2 0 346.472 -1.158 20 0 EAADRP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058156246 672986156 /nfs/dbraw/zinc/98/61/56/672986156.db2.gz CXTLKIWYRGXXSM-AWEZNQCLSA-N 2 0 344.456 -1.547 20 0 EAADRP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058156247 672986423 /nfs/dbraw/zinc/98/64/23/672986423.db2.gz CXTLKIWYRGXXSM-CQSZACIVSA-N 2 0 344.456 -1.547 20 0 EAADRP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058156260 672986358 /nfs/dbraw/zinc/98/63/58/672986358.db2.gz DKLVBZSFCWBDRB-UHFFFAOYSA-N 2 0 344.456 -1.403 20 0 EAADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156298 672986862 /nfs/dbraw/zinc/98/68/62/672986862.db2.gz FHINWHGOSCQGRE-UHFFFAOYSA-N 2 0 346.472 -1.157 20 0 EAADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156400 672986813 /nfs/dbraw/zinc/98/68/13/672986813.db2.gz IMPLKAFDCXQITQ-UHFFFAOYSA-N 2 0 346.472 -1.157 20 0 EAADRP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001058156617 672987185 /nfs/dbraw/zinc/98/71/85/672987185.db2.gz PAYHUIHKRRVETB-AWEZNQCLSA-N 2 0 344.456 -1.404 20 0 EAADRP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001058156618 672987255 /nfs/dbraw/zinc/98/72/55/672987255.db2.gz PAYHUIHKRRVETB-CQSZACIVSA-N 2 0 344.456 -1.404 20 0 EAADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156694 672987227 /nfs/dbraw/zinc/98/72/27/672987227.db2.gz RGCCNDAARCFWPM-UHFFFAOYSA-N 2 0 346.472 -1.157 20 0 EAADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)[NH+](C)C ZINC001058156710 672987233 /nfs/dbraw/zinc/98/72/33/672987233.db2.gz RTFQNTIVOZMDNH-AWEZNQCLSA-N 2 0 346.472 -1.158 20 0 EAADRP CC[C@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)[NH+](C)C ZINC001058156711 672987219 /nfs/dbraw/zinc/98/72/19/672987219.db2.gz RTFQNTIVOZMDNH-CQSZACIVSA-N 2 0 346.472 -1.158 20 0 EAADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156754 672987330 /nfs/dbraw/zinc/98/73/30/672987330.db2.gz SVADUWXGHQRBJY-UHFFFAOYSA-N 2 0 346.472 -1.157 20 0 EAADRP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058156872 672987336 /nfs/dbraw/zinc/98/73/36/672987336.db2.gz XHCYYTBXAZOKGV-UHFFFAOYSA-N 2 0 332.445 -1.547 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058158206 672988140 /nfs/dbraw/zinc/98/81/40/672988140.db2.gz SIYGHOKMWDBQJZ-UHFFFAOYSA-N 2 0 346.472 -1.158 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001058163283 672989566 /nfs/dbraw/zinc/98/95/66/672989566.db2.gz CDWLXGZRJSCEJU-AWEZNQCLSA-N 2 0 338.452 -1.029 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001058163284 672989557 /nfs/dbraw/zinc/98/95/57/672989557.db2.gz CDWLXGZRJSCEJU-CQSZACIVSA-N 2 0 338.452 -1.029 20 0 EAADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163285 672989586 /nfs/dbraw/zinc/98/95/86/672989586.db2.gz CEICZYKOESYCMZ-UHFFFAOYSA-N 2 0 326.441 -1.029 20 0 EAADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C)[NH+](C)C ZINC001058168357 672990035 /nfs/dbraw/zinc/99/00/35/672990035.db2.gz AYGWPAJLOXJXGR-AWEZNQCLSA-N 2 0 346.472 -1.158 20 0 EAADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001058254039 673001916 /nfs/dbraw/zinc/00/19/16/673001916.db2.gz RUHYNBTVBPRKQQ-UHFFFAOYSA-N 2 0 346.472 -1.157 20 0 EAADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001058610260 668745905 /nfs/dbraw/zinc/74/59/05/668745905.db2.gz FGOXLVXBQIIBMC-UHFFFAOYSA-N 2 0 346.472 -1.157 20 0 EAADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058707514 668115978 /nfs/dbraw/zinc/11/59/78/668115978.db2.gz ALMGVRGKIHPSPH-UHFFFAOYSA-N 2 0 326.441 -1.029 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058708034 668116569 /nfs/dbraw/zinc/11/65/69/668116569.db2.gz ZMDRWNSEXMDOEG-UHFFFAOYSA-N 2 0 332.445 -1.547 20 0 EAADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001058815268 668503982 /nfs/dbraw/zinc/50/39/82/668503982.db2.gz SFXGAECLNHULRK-UHFFFAOYSA-N 2 0 346.472 -1.157 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061723464 669390635 /nfs/dbraw/zinc/39/06/35/669390635.db2.gz YDQPRRCNWSERJQ-AWEZNQCLSA-N 2 0 344.456 -1.140 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061723465 669390819 /nfs/dbraw/zinc/39/08/19/669390819.db2.gz YDQPRRCNWSERJQ-CQSZACIVSA-N 2 0 344.456 -1.140 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859340 669466962 /nfs/dbraw/zinc/46/69/62/669466962.db2.gz JWBLZVHSLMCICT-AWEZNQCLSA-N 2 0 344.456 -1.140 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859341 669467267 /nfs/dbraw/zinc/46/72/67/669467267.db2.gz JWBLZVHSLMCICT-CQSZACIVSA-N 2 0 344.456 -1.140 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065373399 669842741 /nfs/dbraw/zinc/84/27/41/669842741.db2.gz GKYFLLJLJAYDCI-AWEZNQCLSA-N 2 0 344.456 -1.140 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065373400 669842697 /nfs/dbraw/zinc/84/26/97/669842697.db2.gz GKYFLLJLJAYDCI-CQSZACIVSA-N 2 0 344.456 -1.140 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572228 669873199 /nfs/dbraw/zinc/87/31/99/669873199.db2.gz LPPHFWFHHKCKCT-AWEZNQCLSA-N 2 0 344.456 -1.140 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572229 669873396 /nfs/dbraw/zinc/87/33/96/669873396.db2.gz LPPHFWFHHKCKCT-CQSZACIVSA-N 2 0 344.456 -1.140 20 0 EAADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070195000 671896714 /nfs/dbraw/zinc/89/67/14/671896714.db2.gz ZGUUYCDUNGZWGW-MCIONIFRSA-N 2 0 347.423 -1.553 20 0 EAADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070195001 671896641 /nfs/dbraw/zinc/89/66/41/671896641.db2.gz ZGUUYCDUNGZWGW-MJBXVCDLSA-N 2 0 347.423 -1.553 20 0 EAADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070196396 671897498 /nfs/dbraw/zinc/89/74/98/671897498.db2.gz VQLFYCFYFRIFKV-KFWWJZLASA-N 2 0 334.424 -1.046 20 0 EAADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070196397 671897370 /nfs/dbraw/zinc/89/73/70/671897370.db2.gz VQLFYCFYFRIFKV-ZNMIVQPWSA-N 2 0 334.424 -1.046 20 0 EAADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070196967 671897533 /nfs/dbraw/zinc/89/75/33/671897533.db2.gz OGIGKEQTCAOHGT-LPWJVIDDSA-N 2 0 335.412 -1.555 20 0 EAADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070198020 671897319 /nfs/dbraw/zinc/89/73/19/671897319.db2.gz IDZNJYXBBRHILA-DGAVXFQQSA-N 2 0 349.439 -1.165 20 0 EAADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070208904 671898276 /nfs/dbraw/zinc/89/82/76/671898276.db2.gz CYVVSLSIOPXAPA-OLZOCXBDSA-N 2 0 335.412 -1.411 20 0 EAADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CCC1 ZINC001070209067 671898628 /nfs/dbraw/zinc/89/86/28/671898628.db2.gz LBGCLNZFSMWIPW-NEPJUHHUSA-N 2 0 335.412 -1.411 20 0 EAADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070209284 671898395 /nfs/dbraw/zinc/89/83/95/671898395.db2.gz WZYCFVMEWNJXCX-DYEKYZERSA-N 2 0 335.412 -1.555 20 0 EAADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070209285 671898636 /nfs/dbraw/zinc/89/86/36/671898636.db2.gz WZYCFVMEWNJXCX-MBNYWOFBSA-N 2 0 335.412 -1.555 20 0 EAADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070209294 671898476 /nfs/dbraw/zinc/89/84/76/671898476.db2.gz XENRAKCYBKFWEU-UPJWGTAASA-N 2 0 349.439 -1.022 20 0 EAADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070209295 671898659 /nfs/dbraw/zinc/89/86/59/671898659.db2.gz XENRAKCYBKFWEU-XQQFMLRXSA-N 2 0 349.439 -1.022 20 0 EAADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070209300 671898533 /nfs/dbraw/zinc/89/85/33/671898533.db2.gz XNAJLZCXNPSYJQ-BNOWGMLFSA-N 2 0 349.439 -1.022 20 0 EAADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070209301 671898509 /nfs/dbraw/zinc/89/85/09/671898509.db2.gz XNAJLZCXNPSYJQ-YUTCNCBUSA-N 2 0 349.439 -1.022 20 0 EAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070212683 671898993 /nfs/dbraw/zinc/89/89/93/671898993.db2.gz MOQLNCHZTLTWSX-MCIONIFRSA-N 2 0 349.439 -1.021 20 0 EAADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070212684 671899236 /nfs/dbraw/zinc/89/92/36/671899236.db2.gz MOQLNCHZTLTWSX-MJBXVCDLSA-N 2 0 349.439 -1.021 20 0 EAADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070213534 671899475 /nfs/dbraw/zinc/89/94/75/671899475.db2.gz QKUCSLTXGXRIDH-DYEKYZERSA-N 2 0 337.428 -1.309 20 0 EAADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070261003 671908431 /nfs/dbraw/zinc/90/84/31/671908431.db2.gz YFPIUHCRGPRZSV-FQUUOJAGSA-N 2 0 349.439 -1.165 20 0 EAADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070265627 671909698 /nfs/dbraw/zinc/90/96/98/671909698.db2.gz QUMWZVZRZCQPEP-BNOWGMLFSA-N 2 0 349.439 -1.165 20 0 EAADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070265628 671909608 /nfs/dbraw/zinc/90/96/08/671909608.db2.gz QUMWZVZRZCQPEP-YUTCNCBUSA-N 2 0 349.439 -1.165 20 0 EAADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001070267958 671909781 /nfs/dbraw/zinc/90/97/81/671909781.db2.gz ZZCFACDORATDRY-OLZOCXBDSA-N 2 0 335.412 -1.553 20 0 EAADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070268849 671909660 /nfs/dbraw/zinc/90/96/60/671909660.db2.gz QKUCSLTXGXRIDH-MBNYWOFBSA-N 2 0 337.428 -1.309 20 0 EAADRP C[NH+]1CCC(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001070289464 671910857 /nfs/dbraw/zinc/91/08/57/671910857.db2.gz CYMBMYCEPMQZJB-KGLIPLIRSA-N 2 0 349.439 -1.163 20 0 EAADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1)C(N)=O ZINC001070310885 671912762 /nfs/dbraw/zinc/91/27/62/671912762.db2.gz AHALBWSNPALNQW-UPJWGTAASA-N 2 0 347.423 -1.411 20 0 EAADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1)C(N)=O ZINC001070310886 671912948 /nfs/dbraw/zinc/91/29/48/671912948.db2.gz AHALBWSNPALNQW-XQQFMLRXSA-N 2 0 347.423 -1.411 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070310893 671913021 /nfs/dbraw/zinc/91/30/21/671913021.db2.gz ANDJEYBNRYUBEG-UPJWGTAASA-N 2 0 335.412 -1.553 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070310894 671912771 /nfs/dbraw/zinc/91/27/71/671912771.db2.gz ANDJEYBNRYUBEG-XQQFMLRXSA-N 2 0 335.412 -1.553 20 0 EAADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070311054 671913118 /nfs/dbraw/zinc/91/31/18/671913118.db2.gz LPHYITYUPZVFKQ-NEPJUHHUSA-N 2 0 333.396 -1.799 20 0 EAADRP Cn1cncc1CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070319973 671913577 /nfs/dbraw/zinc/91/35/77/671913577.db2.gz RBCIGGFMFHNZNQ-OLZOCXBDSA-N 2 0 346.395 -1.529 20 0 EAADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070327689 671914651 /nfs/dbraw/zinc/91/46/51/671914651.db2.gz BQKGDBWBBSFJQA-MCIONIFRSA-N 2 0 347.423 -1.396 20 0 EAADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070327690 671914686 /nfs/dbraw/zinc/91/46/86/671914686.db2.gz BQKGDBWBBSFJQA-MJBXVCDLSA-N 2 0 347.423 -1.396 20 0 EAADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070327899 671914716 /nfs/dbraw/zinc/91/47/16/671914716.db2.gz HNSZGJLUTMFUKD-MCIONIFRSA-N 2 0 349.439 -1.021 20 0 EAADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070327900 671914679 /nfs/dbraw/zinc/91/46/79/671914679.db2.gz HNSZGJLUTMFUKD-MJBXVCDLSA-N 2 0 349.439 -1.021 20 0 EAADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070328083 671914571 /nfs/dbraw/zinc/91/45/71/671914571.db2.gz MXYOICBQVOUTFX-UPJWGTAASA-N 2 0 335.412 -1.411 20 0 EAADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070328084 671914586 /nfs/dbraw/zinc/91/45/86/671914586.db2.gz MXYOICBQVOUTFX-XQQFMLRXSA-N 2 0 335.412 -1.411 20 0 EAADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070333681 671915796 /nfs/dbraw/zinc/91/57/96/671915796.db2.gz NXXLGUNLKIKHNI-KGLIPLIRSA-N 2 0 349.439 -1.019 20 0 EAADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070475568 671923813 /nfs/dbraw/zinc/92/38/13/671923813.db2.gz VSJUESFDNYMUHW-IACUBPJLSA-N 2 0 334.424 -1.116 20 0 EAADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070475569 671924159 /nfs/dbraw/zinc/92/41/59/671924159.db2.gz VSJUESFDNYMUHW-YUTCNCBUSA-N 2 0 334.424 -1.116 20 0 EAADRP Cn1cnc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070555707 671927941 /nfs/dbraw/zinc/92/79/41/671927941.db2.gz OLRNXRGMXSVUOD-GXTWGEPZSA-N 2 0 346.435 -1.115 20 0 EAADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070563728 671928562 /nfs/dbraw/zinc/92/85/62/671928562.db2.gz IXPIOHOFCAPOQM-MBNYWOFBSA-N 2 0 334.424 -1.259 20 0 EAADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070563729 671928358 /nfs/dbraw/zinc/92/83/58/671928358.db2.gz IXPIOHOFCAPOQM-SGMGOOAPSA-N 2 0 334.424 -1.259 20 0 EAADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070563998 671928343 /nfs/dbraw/zinc/92/83/43/671928343.db2.gz POFHPTZUOZIYTA-GXTWGEPZSA-N 2 0 334.424 -1.115 20 0 EAADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001070629540 671936348 /nfs/dbraw/zinc/93/63/48/671936348.db2.gz MFPPPJVMFBTWIS-JHJVBQTASA-N 2 0 334.424 -1.116 20 0 EAADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001070629542 671936380 /nfs/dbraw/zinc/93/63/80/671936380.db2.gz MFPPPJVMFBTWIS-UPJWGTAASA-N 2 0 334.424 -1.116 20 0 EAADRP Cn1cncc1[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(N)=O ZINC001070710558 671943542 /nfs/dbraw/zinc/94/35/42/671943542.db2.gz GVZDQKCYFNVGNP-CHWSQXEVSA-N 2 0 346.435 -1.115 20 0 EAADRP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(N)=O ZINC001070718756 671944402 /nfs/dbraw/zinc/94/44/02/671944402.db2.gz HMXXMKQCNDAESR-CHWSQXEVSA-N 2 0 334.424 -1.115 20 0 EAADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070719155 671944163 /nfs/dbraw/zinc/94/41/63/671944163.db2.gz URDBROYUGMFASN-JHJVBQTASA-N 2 0 334.424 -1.259 20 0 EAADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070719156 671944264 /nfs/dbraw/zinc/94/42/64/671944264.db2.gz URDBROYUGMFASN-YNEHKIRRSA-N 2 0 334.424 -1.259 20 0 EAADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014093 685333648 /nfs/dbraw/zinc/33/36/48/685333648.db2.gz CHFBVVQMCWTDAX-IACUBPJLSA-N 2 0 325.413 -1.400 20 0 EAADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014094 685334139 /nfs/dbraw/zinc/33/41/39/685334139.db2.gz CHFBVVQMCWTDAX-MRVWCRGKSA-N 2 0 325.413 -1.400 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)n1 ZINC001077014317 685333843 /nfs/dbraw/zinc/33/38/43/685333843.db2.gz PMLZKMOSHUAQFM-ZIAGYGMSSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001077015370 685333703 /nfs/dbraw/zinc/33/37/03/685333703.db2.gz QZKGSGVEZYUYEI-FPCVCCKLSA-N 2 0 341.452 -1.113 20 0 EAADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417912 685419182 /nfs/dbraw/zinc/41/91/82/685419182.db2.gz DJHFYAWMDGZECG-NTTUHNMPSA-N 2 0 325.409 -1.607 20 0 EAADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417913 685419426 /nfs/dbraw/zinc/41/94/26/685419426.db2.gz DJHFYAWMDGZECG-WBDXWENLSA-N 2 0 325.409 -1.607 20 0 EAADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001077571033 685602799 /nfs/dbraw/zinc/60/27/99/685602799.db2.gz GITILKINBAKQJO-IGQOVBAYSA-N 2 0 326.441 -1.034 20 0 EAADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817142 685644662 /nfs/dbraw/zinc/64/46/62/685644662.db2.gz PLJOSYGAUBUYHL-IACUBPJLSA-N 2 0 325.413 -1.400 20 0 EAADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817143 685644620 /nfs/dbraw/zinc/64/46/20/685644620.db2.gz PLJOSYGAUBUYHL-MRVWCRGKSA-N 2 0 325.413 -1.400 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)cn1 ZINC001077818215 685645374 /nfs/dbraw/zinc/64/53/74/685645374.db2.gz KRMREXGGIWKSER-ZIAGYGMSSA-N 2 0 325.413 -1.398 20 0 EAADRP O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011739 685676013 /nfs/dbraw/zinc/67/60/13/685676013.db2.gz FKPHPUXJZKBGEK-RBSFLKMASA-N 2 0 349.435 -1.499 20 0 EAADRP O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011740 685676463 /nfs/dbraw/zinc/67/64/63/685676463.db2.gz FKPHPUXJZKBGEK-RRFJBIMHSA-N 2 0 349.435 -1.499 20 0 EAADRP Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078083271 685684872 /nfs/dbraw/zinc/68/48/72/685684872.db2.gz PMRCDHFDFNXLAF-BPLDGKMQSA-N 2 0 348.407 -1.320 20 0 EAADRP Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078083272 685684927 /nfs/dbraw/zinc/68/49/27/685684927.db2.gz PMRCDHFDFNXLAF-NWANDNLSSA-N 2 0 348.407 -1.320 20 0 EAADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1=O ZINC001078174810 685707187 /nfs/dbraw/zinc/70/71/87/685707187.db2.gz UAGRJZVMROOXSS-RBSFLKMASA-N 2 0 334.420 -1.002 20 0 EAADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1=O ZINC001078174811 685707150 /nfs/dbraw/zinc/70/71/50/685707150.db2.gz UAGRJZVMROOXSS-RRFJBIMHSA-N 2 0 334.420 -1.002 20 0 EAADRP C[NH+](C)CCC(=O)N1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001079164951 685806593 /nfs/dbraw/zinc/80/65/93/685806593.db2.gz YGJFAFWOXPKRSJ-UHFFFAOYSA-N 2 0 341.456 -1.146 20 0 EAADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526958 685822908 /nfs/dbraw/zinc/82/29/08/685822908.db2.gz XYBBFNUGPSKJDS-MCIONIFRSA-N 2 0 339.440 -1.221 20 0 EAADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526959 685822993 /nfs/dbraw/zinc/82/29/93/685822993.db2.gz XYBBFNUGPSKJDS-MGPQQGTHSA-N 2 0 339.440 -1.221 20 0 EAADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935942 685902125 /nfs/dbraw/zinc/90/21/25/685902125.db2.gz AJVZKYIDNLQAOW-FRRDWIJNSA-N 2 0 337.424 -1.074 20 0 EAADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935943 685901936 /nfs/dbraw/zinc/90/19/36/685901936.db2.gz AJVZKYIDNLQAOW-JHJVBQTASA-N 2 0 337.424 -1.074 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081504281 686036274 /nfs/dbraw/zinc/03/62/74/686036274.db2.gz YUHDBDDPIPPVTR-KBPBESRZSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081504282 686036467 /nfs/dbraw/zinc/03/64/67/686036467.db2.gz YUHDBDDPIPPVTR-KGLIPLIRSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081504283 686036145 /nfs/dbraw/zinc/03/61/45/686036145.db2.gz YUHDBDDPIPPVTR-UONOGXRCSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081504284 686036301 /nfs/dbraw/zinc/03/63/01/686036301.db2.gz YUHDBDDPIPPVTR-ZIAGYGMSSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618511 686097324 /nfs/dbraw/zinc/09/73/24/686097324.db2.gz RSUUCORCRPNAMV-KBPBESRZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618512 686097191 /nfs/dbraw/zinc/09/71/91/686097191.db2.gz RSUUCORCRPNAMV-KGLIPLIRSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001081618513 686097133 /nfs/dbraw/zinc/09/71/33/686097133.db2.gz RSUUCORCRPNAMV-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001081618514 686097266 /nfs/dbraw/zinc/09/72/66/686097266.db2.gz RSUUCORCRPNAMV-ZIAGYGMSSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081619055 686097703 /nfs/dbraw/zinc/09/77/03/686097703.db2.gz XMYJBQNPBONTAN-KBPBESRZSA-N 2 0 344.456 -1.548 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081619056 686097735 /nfs/dbraw/zinc/09/77/35/686097735.db2.gz XMYJBQNPBONTAN-KGLIPLIRSA-N 2 0 344.456 -1.548 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081619057 686097649 /nfs/dbraw/zinc/09/76/49/686097649.db2.gz XMYJBQNPBONTAN-UONOGXRCSA-N 2 0 344.456 -1.548 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081619058 686097811 /nfs/dbraw/zinc/09/78/11/686097811.db2.gz XMYJBQNPBONTAN-ZIAGYGMSSA-N 2 0 344.456 -1.548 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081732044 686167922 /nfs/dbraw/zinc/16/79/22/686167922.db2.gz BWCDTXUWKDIJNS-KBPBESRZSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001081732045 686168002 /nfs/dbraw/zinc/16/80/02/686168002.db2.gz BWCDTXUWKDIJNS-KGLIPLIRSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081732046 686167788 /nfs/dbraw/zinc/16/77/88/686167788.db2.gz BWCDTXUWKDIJNS-UONOGXRCSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001081732047 686168080 /nfs/dbraw/zinc/16/80/80/686168080.db2.gz BWCDTXUWKDIJNS-ZIAGYGMSSA-N 2 0 338.452 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081733112 686168531 /nfs/dbraw/zinc/16/85/31/686168531.db2.gz PDVAZUGJKXAKEF-KBPBESRZSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081733113 686168552 /nfs/dbraw/zinc/16/85/52/686168552.db2.gz PDVAZUGJKXAKEF-KGLIPLIRSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081733114 686169108 /nfs/dbraw/zinc/16/91/08/686169108.db2.gz PDVAZUGJKXAKEF-UONOGXRCSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081733115 686169098 /nfs/dbraw/zinc/16/90/98/686169098.db2.gz PDVAZUGJKXAKEF-ZIAGYGMSSA-N 2 0 326.441 -1.031 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733385 686169069 /nfs/dbraw/zinc/16/90/69/686169069.db2.gz SRUPMTGDNCYGTN-KBPBESRZSA-N 2 0 344.456 -1.548 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733386 686169023 /nfs/dbraw/zinc/16/90/23/686169023.db2.gz SRUPMTGDNCYGTN-KGLIPLIRSA-N 2 0 344.456 -1.548 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733387 686169288 /nfs/dbraw/zinc/16/92/88/686169288.db2.gz SRUPMTGDNCYGTN-UONOGXRCSA-N 2 0 344.456 -1.548 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081733388 686169220 /nfs/dbraw/zinc/16/92/20/686169220.db2.gz SRUPMTGDNCYGTN-ZIAGYGMSSA-N 2 0 344.456 -1.548 20 0 EAADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082920885 686264090 /nfs/dbraw/zinc/26/40/90/686264090.db2.gz KHWIQDXIIUYCQJ-FRRDWIJNSA-N 2 0 337.424 -1.074 20 0 EAADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082920886 686263985 /nfs/dbraw/zinc/26/39/85/686263985.db2.gz KHWIQDXIIUYCQJ-JHJVBQTASA-N 2 0 337.424 -1.074 20 0 EAADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001083469939 685200792 /nfs/dbraw/zinc/20/07/92/685200792.db2.gz QZKGSGVEZYUYEI-WCVJEAGWSA-N 2 0 341.452 -1.113 20 0 EAADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470168 685200633 /nfs/dbraw/zinc/20/06/33/685200633.db2.gz CHFBVVQMCWTDAX-BNOWGMLFSA-N 2 0 325.413 -1.400 20 0 EAADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470169 685200652 /nfs/dbraw/zinc/20/06/52/685200652.db2.gz CHFBVVQMCWTDAX-YUTCNCBUSA-N 2 0 325.413 -1.400 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)n1 ZINC001083470391 685200760 /nfs/dbraw/zinc/20/07/60/685200760.db2.gz PMLZKMOSHUAQFM-KGLIPLIRSA-N 2 0 325.413 -1.398 20 0 EAADRP Cc1cncn1CC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083645929 685449524 /nfs/dbraw/zinc/44/95/24/685449524.db2.gz BUVATGVEBFCWCM-OLZOCXBDSA-N 2 0 349.391 -1.498 20 0 EAADRP Cc1cncn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001083646337 685449677 /nfs/dbraw/zinc/44/96/77/685449677.db2.gz YDTCGVUHIAZQCP-KFWWJZLASA-N 2 0 348.407 -1.390 20 0 EAADRP Cc1cncn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001083646338 685449481 /nfs/dbraw/zinc/44/94/81/685449481.db2.gz YDTCGVUHIAZQCP-ZNMIVQPWSA-N 2 0 348.407 -1.390 20 0 EAADRP COCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655087 685452242 /nfs/dbraw/zinc/45/22/42/685452242.db2.gz VBSLMGPZYGOSTJ-MXIHSMQYSA-N 2 0 325.409 -1.343 20 0 EAADRP COCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655088 685452323 /nfs/dbraw/zinc/45/23/23/685452323.db2.gz VBSLMGPZYGOSTJ-NHGZVPIDSA-N 2 0 325.409 -1.343 20 0 EAADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001083726993 685584258 /nfs/dbraw/zinc/58/42/58/685584258.db2.gz GITILKINBAKQJO-FQUUOJAGSA-N 2 0 326.441 -1.034 20 0 EAADRP C[C@H](C(=O)N(C)C)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750128 685595948 /nfs/dbraw/zinc/59/59/48/685595948.db2.gz HCQNHNAIAYKGLN-BNOWGMLFSA-N 2 0 326.441 -1.034 20 0 EAADRP C[C@@H](C(=O)N(C)C)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750129 685595744 /nfs/dbraw/zinc/59/57/44/685595744.db2.gz HCQNHNAIAYKGLN-YUTCNCBUSA-N 2 0 326.441 -1.034 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083781800 685608210 /nfs/dbraw/zinc/60/82/10/685608210.db2.gz WFHFATHZYOHFBQ-MCIONIFRSA-N 2 0 339.440 -1.485 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083781801 685608124 /nfs/dbraw/zinc/60/81/24/685608124.db2.gz WFHFATHZYOHFBQ-MJBXVCDLSA-N 2 0 339.440 -1.485 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)cn1 ZINC001083851056 685774917 /nfs/dbraw/zinc/77/49/17/685774917.db2.gz KRMREXGGIWKSER-KGLIPLIRSA-N 2 0 325.413 -1.398 20 0 EAADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851151 685774464 /nfs/dbraw/zinc/77/44/64/685774464.db2.gz PLJOSYGAUBUYHL-BNOWGMLFSA-N 2 0 325.413 -1.400 20 0 EAADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851152 685774484 /nfs/dbraw/zinc/77/44/84/685774484.db2.gz PLJOSYGAUBUYHL-YUTCNCBUSA-N 2 0 325.413 -1.400 20 0 EAADRP O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957555 686298365 /nfs/dbraw/zinc/29/83/65/686298365.db2.gz FKPHPUXJZKBGEK-KFWWJZLASA-N 2 0 349.435 -1.499 20 0 EAADRP O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957556 686298325 /nfs/dbraw/zinc/29/83/25/686298325.db2.gz FKPHPUXJZKBGEK-ZNMIVQPWSA-N 2 0 349.435 -1.499 20 0 EAADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1=O ZINC001084053134 686321972 /nfs/dbraw/zinc/32/19/72/686321972.db2.gz UAGRJZVMROOXSS-KFWWJZLASA-N 2 0 334.420 -1.002 20 0 EAADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1=O ZINC001084053135 686321196 /nfs/dbraw/zinc/32/11/96/686321196.db2.gz UAGRJZVMROOXSS-ZNMIVQPWSA-N 2 0 334.420 -1.002 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086270681 686395244 /nfs/dbraw/zinc/39/52/44/686395244.db2.gz PMFLXEWXAOGYPA-RWMBFGLXSA-N 2 0 337.424 -1.026 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086270682 686395264 /nfs/dbraw/zinc/39/52/64/686395264.db2.gz PMFLXEWXAOGYPA-UPJWGTAASA-N 2 0 337.424 -1.026 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086551913 686407166 /nfs/dbraw/zinc/40/71/66/686407166.db2.gz PMFLXEWXAOGYPA-AVGNSLFASA-N 2 0 337.424 -1.026 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086551914 686406997 /nfs/dbraw/zinc/40/69/97/686406997.db2.gz PMFLXEWXAOGYPA-JHJVBQTASA-N 2 0 337.424 -1.026 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086970785 686410402 /nfs/dbraw/zinc/41/04/02/686410402.db2.gz HWKIGYDYLUSZIY-BFHYXJOUSA-N 2 0 334.424 -1.116 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086970786 686410524 /nfs/dbraw/zinc/41/05/24/686410524.db2.gz HWKIGYDYLUSZIY-MJBXVCDLSA-N 2 0 334.424 -1.116 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087005443 686413872 /nfs/dbraw/zinc/41/38/72/686413872.db2.gz CMIHKCSTOYAMLY-UONOGXRCSA-N 2 0 346.435 -1.115 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087009547 686414971 /nfs/dbraw/zinc/41/49/71/686414971.db2.gz LWVMHHSURBWWNZ-FPMFFAJLSA-N 2 0 334.424 -1.259 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087009548 686415002 /nfs/dbraw/zinc/41/50/02/686415002.db2.gz LWVMHHSURBWWNZ-KWCYVHTRSA-N 2 0 334.424 -1.259 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087010350 686415061 /nfs/dbraw/zinc/41/50/61/686415061.db2.gz XVNALKKPADGLCH-UONOGXRCSA-N 2 0 334.424 -1.115 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)n1 ZINC001090272697 786275653 /nfs/dbraw/zinc/27/56/53/786275653.db2.gz QZJXYHPFRKJUBW-DZGCQCFKSA-N 2 0 339.440 -1.008 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)n1 ZINC001090272698 786276133 /nfs/dbraw/zinc/27/61/33/786276133.db2.gz QZJXYHPFRKJUBW-HIFRSBDPSA-N 2 0 339.440 -1.008 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)n1 ZINC001090272699 786276067 /nfs/dbraw/zinc/27/60/67/786276067.db2.gz QZJXYHPFRKJUBW-UKRRQHHQSA-N 2 0 339.440 -1.008 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)n1 ZINC001090272700 786275982 /nfs/dbraw/zinc/27/59/82/786275982.db2.gz QZJXYHPFRKJUBW-ZFWWWQNUSA-N 2 0 339.440 -1.008 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)n1 ZINC001090274431 786277054 /nfs/dbraw/zinc/27/70/54/786277054.db2.gz WINNXJQKMFFYNX-GXTWGEPZSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)n1 ZINC001090274435 786276684 /nfs/dbraw/zinc/27/66/84/786276684.db2.gz WINNXJQKMFFYNX-JSGCOSHPSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)n1 ZINC001090274439 786276927 /nfs/dbraw/zinc/27/69/27/786276927.db2.gz WINNXJQKMFFYNX-OCCSQVGLSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)n1 ZINC001090274442 786277062 /nfs/dbraw/zinc/27/70/62/786277062.db2.gz WINNXJQKMFFYNX-TZMCWYRMSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)cn1 ZINC001090638730 787371261 /nfs/dbraw/zinc/37/12/61/787371261.db2.gz ROACVKKRJJKMQU-KBPBESRZSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)cn1 ZINC001090638731 787371376 /nfs/dbraw/zinc/37/13/76/787371376.db2.gz ROACVKKRJJKMQU-KGLIPLIRSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)cn1 ZINC001090638732 787373052 /nfs/dbraw/zinc/37/30/52/787373052.db2.gz ROACVKKRJJKMQU-UONOGXRCSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)cn1 ZINC001090638733 787371453 /nfs/dbraw/zinc/37/14/53/787371453.db2.gz ROACVKKRJJKMQU-ZIAGYGMSSA-N 2 0 325.413 -1.398 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)cn1 ZINC001090639763 787374307 /nfs/dbraw/zinc/37/43/07/787374307.db2.gz ZOTYFCUHCILINQ-CABCVRRESA-N 2 0 339.440 -1.008 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)cn1 ZINC001090639764 787374852 /nfs/dbraw/zinc/37/48/52/787374852.db2.gz ZOTYFCUHCILINQ-GJZGRUSLSA-N 2 0 339.440 -1.008 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)cn1 ZINC001090639765 787375254 /nfs/dbraw/zinc/37/52/54/787375254.db2.gz ZOTYFCUHCILINQ-HUUCEWRRSA-N 2 0 339.440 -1.008 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)cn1 ZINC001090639767 787375458 /nfs/dbraw/zinc/37/54/58/787375458.db2.gz ZOTYFCUHCILINQ-LSDHHAIUSA-N 2 0 339.440 -1.008 20 0 EAADRP O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731071 787410962 /nfs/dbraw/zinc/41/09/62/787410962.db2.gz PPOUDNCMNMDDSO-KBPBESRZSA-N 2 0 334.424 -1.075 20 0 EAADRP O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731089 787411545 /nfs/dbraw/zinc/41/15/45/787411545.db2.gz PPOUDNCMNMDDSO-KGLIPLIRSA-N 2 0 334.424 -1.075 20 0 EAADRP O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731098 787410726 /nfs/dbraw/zinc/41/07/26/787410726.db2.gz PPOUDNCMNMDDSO-UONOGXRCSA-N 2 0 334.424 -1.075 20 0 EAADRP O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731103 787411715 /nfs/dbraw/zinc/41/17/15/787411715.db2.gz PPOUDNCMNMDDSO-ZIAGYGMSSA-N 2 0 334.424 -1.075 20 0 EAADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090815228 787431439 /nfs/dbraw/zinc/43/14/39/787431439.db2.gz NMVGHQLQIXKGIP-KBPBESRZSA-N 2 0 339.440 -1.341 20 0 EAADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090815229 787430880 /nfs/dbraw/zinc/43/08/80/787430880.db2.gz NMVGHQLQIXKGIP-KGLIPLIRSA-N 2 0 339.440 -1.341 20 0 EAADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090815230 787431627 /nfs/dbraw/zinc/43/16/27/787431627.db2.gz NMVGHQLQIXKGIP-UONOGXRCSA-N 2 0 339.440 -1.341 20 0 EAADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090815231 787431738 /nfs/dbraw/zinc/43/17/38/787431738.db2.gz NMVGHQLQIXKGIP-ZIAGYGMSSA-N 2 0 339.440 -1.341 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001091364841 787493212 /nfs/dbraw/zinc/49/32/12/787493212.db2.gz PMFLXEWXAOGYPA-CPCZMJQVSA-N 2 0 337.424 -1.026 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001091364842 787493444 /nfs/dbraw/zinc/49/34/44/787493444.db2.gz PMFLXEWXAOGYPA-OTTFEQOBSA-N 2 0 337.424 -1.026 20 0 EAADRP C[NH+](C)CCC(=O)N1CCC([N@H+](CCO)CC(=O)NC(N)=O)CC1 ZINC001098467806 786759242 /nfs/dbraw/zinc/75/92/42/786759242.db2.gz WPNRAKVEWHTJBD-UHFFFAOYSA-N 2 0 343.428 -1.582 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098478938 787139062 /nfs/dbraw/zinc/13/90/62/787139062.db2.gz KWWFHYYLQXDMLS-GXTWGEPZSA-N 2 0 326.441 -1.045 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098478939 787139948 /nfs/dbraw/zinc/13/99/48/787139948.db2.gz KWWFHYYLQXDMLS-JSGCOSHPSA-N 2 0 326.441 -1.045 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098478940 787139204 /nfs/dbraw/zinc/13/92/04/787139204.db2.gz KWWFHYYLQXDMLS-OCCSQVGLSA-N 2 0 326.441 -1.045 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098478941 787139864 /nfs/dbraw/zinc/13/98/64/787139864.db2.gz KWWFHYYLQXDMLS-TZMCWYRMSA-N 2 0 326.441 -1.045 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098532801 785105632 /nfs/dbraw/zinc/10/56/32/785105632.db2.gz FXRRBTCVTSUVJG-UHFFFAOYSA-N 2 0 330.429 -1.665 20 0 EAADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098533135 785105800 /nfs/dbraw/zinc/10/58/00/785105800.db2.gz UCJSXSJWMBSXST-UHFFFAOYSA-N 2 0 344.456 -1.404 20 0 EAADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560844 785182643 /nfs/dbraw/zinc/18/26/43/785182643.db2.gz DSKRASGLEZFLIJ-CYBMUJFWSA-N 2 0 326.441 -1.031 20 0 EAADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560845 785183282 /nfs/dbraw/zinc/18/32/82/785183282.db2.gz DSKRASGLEZFLIJ-ZDUSSCGKSA-N 2 0 326.441 -1.031 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099891749 792225607 /nfs/dbraw/zinc/22/56/07/792225607.db2.gz BZKAZQYJULCHTP-KBPBESRZSA-N 2 0 329.441 -1.112 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099891750 792226476 /nfs/dbraw/zinc/22/64/76/792226476.db2.gz BZKAZQYJULCHTP-KGLIPLIRSA-N 2 0 329.441 -1.112 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099891751 792225895 /nfs/dbraw/zinc/22/58/95/792225895.db2.gz BZKAZQYJULCHTP-UONOGXRCSA-N 2 0 329.441 -1.112 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099891752 792226217 /nfs/dbraw/zinc/22/62/17/792226217.db2.gz BZKAZQYJULCHTP-ZIAGYGMSSA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099971499 792271704 /nfs/dbraw/zinc/27/17/04/792271704.db2.gz IWWUBBIWWZHMMP-KBPBESRZSA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099971500 792272066 /nfs/dbraw/zinc/27/20/66/792272066.db2.gz IWWUBBIWWZHMMP-KGLIPLIRSA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099971501 792271777 /nfs/dbraw/zinc/27/17/77/792271777.db2.gz IWWUBBIWWZHMMP-UONOGXRCSA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099971502 792270979 /nfs/dbraw/zinc/27/09/79/792270979.db2.gz IWWUBBIWWZHMMP-ZIAGYGMSSA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099973753 792273844 /nfs/dbraw/zinc/27/38/44/792273844.db2.gz IKDBEWLSYSTQFT-KBPBESRZSA-N 2 0 341.456 -1.095 20 0 EAADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099973754 792274459 /nfs/dbraw/zinc/27/44/59/792274459.db2.gz IKDBEWLSYSTQFT-KGLIPLIRSA-N 2 0 341.456 -1.095 20 0 EAADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099973755 792273970 /nfs/dbraw/zinc/27/39/70/792273970.db2.gz IKDBEWLSYSTQFT-UONOGXRCSA-N 2 0 341.456 -1.095 20 0 EAADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099973756 792273214 /nfs/dbraw/zinc/27/32/14/792273214.db2.gz IKDBEWLSYSTQFT-ZIAGYGMSSA-N 2 0 341.456 -1.095 20 0 EAADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099979490 792275859 /nfs/dbraw/zinc/27/58/59/792275859.db2.gz VRPFKTHMVSDQSV-CABCVRRESA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099979491 792276672 /nfs/dbraw/zinc/27/66/72/792276672.db2.gz VRPFKTHMVSDQSV-GJZGRUSLSA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099979492 792276001 /nfs/dbraw/zinc/27/60/01/792276001.db2.gz VRPFKTHMVSDQSV-HUUCEWRRSA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099979493 792276438 /nfs/dbraw/zinc/27/64/38/792276438.db2.gz VRPFKTHMVSDQSV-LSDHHAIUSA-N 2 0 329.441 -1.112 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099985639 792281830 /nfs/dbraw/zinc/28/18/30/792281830.db2.gz FPHSHLRJRSRSPC-NEPJUHHUSA-N 2 0 341.412 -1.959 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099985640 792282925 /nfs/dbraw/zinc/28/29/25/792282925.db2.gz FPHSHLRJRSRSPC-NWDGAFQWSA-N 2 0 341.412 -1.959 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099985642 792282380 /nfs/dbraw/zinc/28/23/80/792282380.db2.gz FPHSHLRJRSRSPC-RYUDHWBXSA-N 2 0 341.412 -1.959 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099985644 792282837 /nfs/dbraw/zinc/28/28/37/792282837.db2.gz FPHSHLRJRSRSPC-VXGBXAGGSA-N 2 0 341.412 -1.959 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099985710 786438438 /nfs/dbraw/zinc/43/84/38/786438438.db2.gz FYGKJTHUWUAXLC-CHWSQXEVSA-N 2 0 327.429 -1.485 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099985715 786438385 /nfs/dbraw/zinc/43/83/85/786438385.db2.gz FYGKJTHUWUAXLC-OLZOCXBDSA-N 2 0 327.429 -1.485 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099985716 786438059 /nfs/dbraw/zinc/43/80/59/786438059.db2.gz FYGKJTHUWUAXLC-QWHCGFSZSA-N 2 0 327.429 -1.485 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099985717 786437951 /nfs/dbraw/zinc/43/79/51/786437951.db2.gz FYGKJTHUWUAXLC-STQMWFEESA-N 2 0 327.429 -1.485 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CCN(CCCS(C)(=O)=O)C[C@@H]1O ZINC001099986363 786437869 /nfs/dbraw/zinc/43/78/69/786437869.db2.gz JNACRTBDESMECF-STQMWFEESA-N 2 0 335.470 -1.076 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CCN(CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099986364 786438575 /nfs/dbraw/zinc/43/85/75/786438575.db2.gz JNEUIVOLWOFQFJ-KBPBESRZSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099986365 786438236 /nfs/dbraw/zinc/43/82/36/786438236.db2.gz JNEUIVOLWOFQFJ-KGLIPLIRSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1O ZINC001099986366 786437709 /nfs/dbraw/zinc/43/77/09/786437709.db2.gz JNEUIVOLWOFQFJ-UONOGXRCSA-N 2 0 342.440 -1.652 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1O ZINC001099986367 786438533 /nfs/dbraw/zinc/43/85/33/786438533.db2.gz JNEUIVOLWOFQFJ-ZIAGYGMSSA-N 2 0 342.440 -1.652 20 0 EAADRP CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986760 792282160 /nfs/dbraw/zinc/28/21/60/792282160.db2.gz OZXMUOBTCGEKIJ-CABCVRRESA-N 2 0 344.456 -1.358 20 0 EAADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986761 792281793 /nfs/dbraw/zinc/28/17/93/792281793.db2.gz OZXMUOBTCGEKIJ-GJZGRUSLSA-N 2 0 344.456 -1.358 20 0 EAADRP CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986762 786438403 /nfs/dbraw/zinc/43/84/03/786438403.db2.gz OZXMUOBTCGEKIJ-HUUCEWRRSA-N 2 0 344.456 -1.358 20 0 EAADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986763 786438299 /nfs/dbraw/zinc/43/82/99/786438299.db2.gz OZXMUOBTCGEKIJ-LSDHHAIUSA-N 2 0 344.456 -1.358 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CCN(CCNS(C)(=O)=O)C[C@@H]1O ZINC001099986910 786438819 /nfs/dbraw/zinc/43/88/19/786438819.db2.gz REJKXPBFUYJKGI-RYUDHWBXSA-N 2 0 336.458 -1.961 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(CCNS(C)(=O)=O)C[C@H]1O ZINC001099986911 786438602 /nfs/dbraw/zinc/43/86/02/786438602.db2.gz REJKXPBFUYJKGI-VXGBXAGGSA-N 2 0 336.458 -1.961 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001099989273 792280669 /nfs/dbraw/zinc/28/06/69/792280669.db2.gz PZOVIEKEUPRJEP-CHWSQXEVSA-N 2 0 340.424 -1.362 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001099989274 792281430 /nfs/dbraw/zinc/28/14/30/792281430.db2.gz PZOVIEKEUPRJEP-OLZOCXBDSA-N 2 0 340.424 -1.362 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001099989275 792282236 /nfs/dbraw/zinc/28/22/36/792282236.db2.gz PZOVIEKEUPRJEP-QWHCGFSZSA-N 2 0 340.424 -1.362 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001099989276 792282025 /nfs/dbraw/zinc/28/20/25/792282025.db2.gz PZOVIEKEUPRJEP-STQMWFEESA-N 2 0 340.424 -1.362 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100041697 792320843 /nfs/dbraw/zinc/32/08/43/792320843.db2.gz MYPDEMMLZZHBBA-KBPBESRZSA-N 2 0 341.456 -1.095 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100041698 792320753 /nfs/dbraw/zinc/32/07/53/792320753.db2.gz MYPDEMMLZZHBBA-KGLIPLIRSA-N 2 0 341.456 -1.095 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100041699 792320658 /nfs/dbraw/zinc/32/06/58/792320658.db2.gz MYPDEMMLZZHBBA-UONOGXRCSA-N 2 0 341.456 -1.095 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100041700 792320313 /nfs/dbraw/zinc/32/03/13/792320313.db2.gz MYPDEMMLZZHBBA-ZIAGYGMSSA-N 2 0 341.456 -1.095 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100064981 792348124 /nfs/dbraw/zinc/34/81/24/792348124.db2.gz VSEZUPIXLHPTNA-KBPBESRZSA-N 2 0 341.456 -1.095 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100064982 792348393 /nfs/dbraw/zinc/34/83/93/792348393.db2.gz VSEZUPIXLHPTNA-KGLIPLIRSA-N 2 0 341.456 -1.095 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100064983 792346239 /nfs/dbraw/zinc/34/62/39/792346239.db2.gz VSEZUPIXLHPTNA-UONOGXRCSA-N 2 0 341.456 -1.095 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100064984 792347914 /nfs/dbraw/zinc/34/79/14/792347914.db2.gz VSEZUPIXLHPTNA-ZIAGYGMSSA-N 2 0 341.456 -1.095 20 0 EAADRP O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001100073314 792357792 /nfs/dbraw/zinc/35/77/92/792357792.db2.gz BWXOELHHJJLTQQ-KBPBESRZSA-N 2 0 327.425 -1.358 20 0 EAADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001100073315 792357207 /nfs/dbraw/zinc/35/72/07/792357207.db2.gz BWXOELHHJJLTQQ-KGLIPLIRSA-N 2 0 327.425 -1.358 20 0 EAADRP O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001100073316 792357890 /nfs/dbraw/zinc/35/78/90/792357890.db2.gz BWXOELHHJJLTQQ-UONOGXRCSA-N 2 0 327.425 -1.358 20 0 EAADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001100073317 792357716 /nfs/dbraw/zinc/35/77/16/792357716.db2.gz BWXOELHHJJLTQQ-ZIAGYGMSSA-N 2 0 327.425 -1.358 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100074053 792356154 /nfs/dbraw/zinc/35/61/54/792356154.db2.gz IXFKQHJLDSIHFG-KBPBESRZSA-N 2 0 333.429 -1.875 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100074057 792356457 /nfs/dbraw/zinc/35/64/57/792356457.db2.gz IXFKQHJLDSIHFG-KGLIPLIRSA-N 2 0 333.429 -1.875 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100074058 792356379 /nfs/dbraw/zinc/35/63/79/792356379.db2.gz IXFKQHJLDSIHFG-UONOGXRCSA-N 2 0 333.429 -1.875 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100074059 792358171 /nfs/dbraw/zinc/35/81/71/792358171.db2.gz IXFKQHJLDSIHFG-ZIAGYGMSSA-N 2 0 333.429 -1.875 20 0 EAADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075897 792358468 /nfs/dbraw/zinc/35/84/68/792358468.db2.gz BSJLKGJGAAGXLH-CABCVRRESA-N 2 0 347.456 -1.221 20 0 EAADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075898 792358507 /nfs/dbraw/zinc/35/85/07/792358507.db2.gz BSJLKGJGAAGXLH-GJZGRUSLSA-N 2 0 347.456 -1.221 20 0 EAADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075899 792358699 /nfs/dbraw/zinc/35/86/99/792358699.db2.gz BSJLKGJGAAGXLH-HUUCEWRRSA-N 2 0 347.456 -1.221 20 0 EAADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075900 792358662 /nfs/dbraw/zinc/35/86/62/792358662.db2.gz BSJLKGJGAAGXLH-LSDHHAIUSA-N 2 0 347.456 -1.221 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001100075997 792359488 /nfs/dbraw/zinc/35/94/88/792359488.db2.gz DKIAJYHCPBTZFZ-KBPBESRZSA-N 2 0 340.428 -1.592 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001100075998 792360284 /nfs/dbraw/zinc/36/02/84/792360284.db2.gz DKIAJYHCPBTZFZ-KGLIPLIRSA-N 2 0 340.428 -1.592 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001100075999 792361214 /nfs/dbraw/zinc/36/12/14/792361214.db2.gz DKIAJYHCPBTZFZ-UONOGXRCSA-N 2 0 340.428 -1.592 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001100076000 792361486 /nfs/dbraw/zinc/36/14/86/792361486.db2.gz DKIAJYHCPBTZFZ-ZIAGYGMSSA-N 2 0 340.428 -1.592 20 0 EAADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083697 786464448 /nfs/dbraw/zinc/46/44/48/786464448.db2.gz VRMPZIHGGJTMRI-NEPJUHHUSA-N 2 0 343.428 -1.535 20 0 EAADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O ZINC001100083700 786464001 /nfs/dbraw/zinc/46/40/01/786464001.db2.gz VRMPZIHGGJTMRI-NWDGAFQWSA-N 2 0 343.428 -1.535 20 0 EAADRP CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001100083702 786463832 /nfs/dbraw/zinc/46/38/32/786463832.db2.gz VRMPZIHGGJTMRI-RYUDHWBXSA-N 2 0 343.428 -1.535 20 0 EAADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O ZINC001100083706 786464473 /nfs/dbraw/zinc/46/44/73/786464473.db2.gz VRMPZIHGGJTMRI-VXGBXAGGSA-N 2 0 343.428 -1.535 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100083913 792366014 /nfs/dbraw/zinc/36/60/14/792366014.db2.gz XJGAELGEXKWUOQ-KBPBESRZSA-N 2 0 341.456 -1.095 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100083915 792365816 /nfs/dbraw/zinc/36/58/16/792365816.db2.gz XJGAELGEXKWUOQ-KGLIPLIRSA-N 2 0 341.456 -1.095 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100083917 792366586 /nfs/dbraw/zinc/36/65/86/792366586.db2.gz XJGAELGEXKWUOQ-UONOGXRCSA-N 2 0 341.456 -1.095 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100083919 792365758 /nfs/dbraw/zinc/36/57/58/792365758.db2.gz XJGAELGEXKWUOQ-ZIAGYGMSSA-N 2 0 341.456 -1.095 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100132799 792405759 /nfs/dbraw/zinc/40/57/59/792405759.db2.gz ZHOZMKHGTDFQMI-KBPBESRZSA-N 2 0 341.456 -1.097 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100132800 792403749 /nfs/dbraw/zinc/40/37/49/792403749.db2.gz ZHOZMKHGTDFQMI-KGLIPLIRSA-N 2 0 341.456 -1.097 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100132801 792405609 /nfs/dbraw/zinc/40/56/09/792405609.db2.gz ZHOZMKHGTDFQMI-UONOGXRCSA-N 2 0 341.456 -1.097 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100132802 792403921 /nfs/dbraw/zinc/40/39/21/792403921.db2.gz ZHOZMKHGTDFQMI-ZIAGYGMSSA-N 2 0 341.456 -1.097 20 0 EAADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001100637198 792449808 /nfs/dbraw/zinc/44/98/08/792449808.db2.gz GSCSXBNICKIRJL-UHFFFAOYSA-N 2 0 339.440 -1.619 20 0 EAADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100638554 792449505 /nfs/dbraw/zinc/44/95/05/792449505.db2.gz RJPHIQRDYDVVQY-UHFFFAOYSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001100870150 792464282 /nfs/dbraw/zinc/46/42/82/792464282.db2.gz ADLAWPAUQCTSKM-UNXYVOJBSA-N 2 0 343.428 -1.368 20 0 EAADRP C[C@@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001100870151 792463855 /nfs/dbraw/zinc/46/38/55/792463855.db2.gz ADLAWPAUQCTSKM-VOMCLLRMSA-N 2 0 343.428 -1.368 20 0 EAADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)nc1=O ZINC001100870733 792464184 /nfs/dbraw/zinc/46/41/84/792464184.db2.gz MTJOAYPGEQLPKP-UHFFFAOYSA-N 2 0 340.428 -1.329 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100870923 792464478 /nfs/dbraw/zinc/46/44/78/792464478.db2.gz SFCYTSQPLLLPGU-UHFFFAOYSA-N 2 0 329.401 -1.756 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100871010 792464041 /nfs/dbraw/zinc/46/40/41/792464041.db2.gz WVEJYOOFSNIRBW-UHFFFAOYSA-N 2 0 343.428 -1.495 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001100871041 792464574 /nfs/dbraw/zinc/46/45/74/792464574.db2.gz YSVSEENEIVOYGE-BPCQOVAHSA-N 2 0 340.424 -1.146 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001100871042 792463995 /nfs/dbraw/zinc/46/39/95/792463995.db2.gz YSVSEENEIVOYGE-WXRRBKDZSA-N 2 0 340.424 -1.146 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980752 792472020 /nfs/dbraw/zinc/47/20/20/792472020.db2.gz DXEZEFUGNOVDQA-CXQJBGSLSA-N 2 0 325.413 -1.122 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980753 792471299 /nfs/dbraw/zinc/47/12/99/792471299.db2.gz DXEZEFUGNOVDQA-MOENNCHZSA-N 2 0 325.413 -1.122 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100981158 792471869 /nfs/dbraw/zinc/47/18/69/792471869.db2.gz XRUNNPKKOSOAKR-CPCZMJQVSA-N 2 0 332.470 -1.028 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100981159 792471403 /nfs/dbraw/zinc/47/14/03/792471403.db2.gz XRUNNPKKOSOAKR-OTTFEQOBSA-N 2 0 332.470 -1.028 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101352220 792490788 /nfs/dbraw/zinc/49/07/88/792490788.db2.gz XIISVHGAUNZVLA-ABAIWWIYSA-N 2 0 325.413 -1.087 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101460753 792496072 /nfs/dbraw/zinc/49/60/72/792496072.db2.gz VWHHEUBZXARYPE-HSMVNMDESA-N 2 0 337.424 -1.087 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101460754 792495994 /nfs/dbraw/zinc/49/59/94/792495994.db2.gz VWHHEUBZXARYPE-OZVIIMIRSA-N 2 0 337.424 -1.087 20 0 EAADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815568 792511954 /nfs/dbraw/zinc/51/19/54/792511954.db2.gz LJPVFRSUEBXUCR-IJLUTSLNSA-N 2 0 325.413 -1.040 20 0 EAADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815569 792510622 /nfs/dbraw/zinc/51/06/22/792510622.db2.gz LJPVFRSUEBXUCR-UTUOFQBUSA-N 2 0 325.413 -1.040 20 0 EAADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511323 792547002 /nfs/dbraw/zinc/54/70/02/792547002.db2.gz RVIXKDCEFFFJBH-VXGBXAGGSA-N 2 0 343.428 -1.556 20 0 EAADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102513933 792547655 /nfs/dbraw/zinc/54/76/55/792547655.db2.gz HANQAMZQOKHLBH-VXGBXAGGSA-N 2 0 337.424 -1.039 20 0 EAADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578081 792552136 /nfs/dbraw/zinc/55/21/36/792552136.db2.gz KFTVLGQICVJJOE-GRYCIOLGSA-N 2 0 325.413 -1.183 20 0 EAADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578082 792551560 /nfs/dbraw/zinc/55/15/60/792551560.db2.gz KFTVLGQICVJJOE-IJLUTSLNSA-N 2 0 325.413 -1.183 20 0 EAADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579879 792550890 /nfs/dbraw/zinc/55/08/90/792550890.db2.gz VIDJIXMQKQZNTF-VXGBXAGGSA-N 2 0 325.413 -1.039 20 0 EAADRP C[C@H]1C[C@@H](C(=O)N2CC(n3cc(CNCC(N)=O)nn3)C2)CC[N@@H+]1C ZINC001105312507 785334723 /nfs/dbraw/zinc/33/47/23/785334723.db2.gz PBHNEBNPVGRZQI-RYUDHWBXSA-N 2 0 349.439 -1.033 20 0 EAADRP CC[C@@H](C(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1)[NH+](C)C ZINC001105328463 785340712 /nfs/dbraw/zinc/34/07/12/785340712.db2.gz GICSDTLFVLWVME-GWCFXTLKSA-N 2 0 337.428 -1.035 20 0 EAADRP CC[C@@H](C(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1)[NH+](C)C ZINC001105328464 785340972 /nfs/dbraw/zinc/34/09/72/785340972.db2.gz GICSDTLFVLWVME-MFKMUULPSA-N 2 0 337.428 -1.035 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105360837 785424497 /nfs/dbraw/zinc/42/44/97/785424497.db2.gz KDIFNXPTPQGCKT-UHFFFAOYSA-N 2 0 340.428 -1.288 20 0 EAADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105361252 785425509 /nfs/dbraw/zinc/42/55/09/785425509.db2.gz VIDIJYWLOFOIMR-GFCCVEGCSA-N 2 0 340.428 -1.290 20 0 EAADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105361253 785425850 /nfs/dbraw/zinc/42/58/50/785425850.db2.gz VIDIJYWLOFOIMR-LBPRGKRZSA-N 2 0 340.428 -1.290 20 0 EAADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105941573 785909014 /nfs/dbraw/zinc/90/90/14/785909014.db2.gz CDFHAGHYTRHJEP-IJLUTSLNSA-N 2 0 325.413 -1.040 20 0 EAADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105941574 785909184 /nfs/dbraw/zinc/90/91/84/785909184.db2.gz CDFHAGHYTRHJEP-UTUOFQBUSA-N 2 0 325.413 -1.040 20 0 EAADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001106878327 786027345 /nfs/dbraw/zinc/02/73/45/786027345.db2.gz MIGHUZOKJWDSOS-CHWSQXEVSA-N 2 0 339.444 -1.028 20 0 EAADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106878694 786027134 /nfs/dbraw/zinc/02/71/34/786027134.db2.gz XSSSJDQYGCZNJU-VXGBXAGGSA-N 2 0 343.428 -1.556 20 0 EAADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106881788 786027263 /nfs/dbraw/zinc/02/72/63/786027263.db2.gz KAQNJNMHVRVVLG-VXGBXAGGSA-N 2 0 337.424 -1.039 20 0 EAADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106981701 786040282 /nfs/dbraw/zinc/04/02/82/786040282.db2.gz ZPEARIQZBYKIOC-GRYCIOLGSA-N 2 0 325.413 -1.183 20 0 EAADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106981702 786040046 /nfs/dbraw/zinc/04/00/46/786040046.db2.gz ZPEARIQZBYKIOC-IJLUTSLNSA-N 2 0 325.413 -1.183 20 0 EAADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106983772 786039929 /nfs/dbraw/zinc/03/99/29/786039929.db2.gz IZEXYGRYBONIDB-VXGBXAGGSA-N 2 0 325.413 -1.039 20 0 EAADRP CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090532 786808511 /nfs/dbraw/zinc/80/85/11/786808511.db2.gz GCFXUQDZMWKZML-QNWHQSFQSA-N 2 0 346.453 -2.087 20 0 EAADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21)C1CC1 ZINC001114409653 791435469 /nfs/dbraw/zinc/43/54/69/791435469.db2.gz OKXBGEZNULLNAF-ZOBORPQBSA-N 2 0 344.481 -1.078 20 0 EAADRP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)C1CC1 ZINC001114410655 791434400 /nfs/dbraw/zinc/43/44/00/791434400.db2.gz XURGSUYMCTZTCF-MXYBEHONSA-N 2 0 349.435 -1.075 20 0 EAADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)C1CC1 ZINC001114410656 791433942 /nfs/dbraw/zinc/43/39/42/791433942.db2.gz XURGSUYMCTZTCF-PAPYEOQZSA-N 2 0 349.435 -1.075 20 0 EAADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001114464232 791442386 /nfs/dbraw/zinc/44/23/86/791442386.db2.gz RHFIFPRAENTZKQ-CZXHOFHRSA-N 2 0 337.424 -1.075 20 0 EAADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)CC1 ZINC001114740779 791686447 /nfs/dbraw/zinc/68/64/47/791686447.db2.gz BALJYTSHQSUOEB-IMRBUKKESA-N 2 0 349.435 -1.074 20 0 EAADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114750679 791687604 /nfs/dbraw/zinc/68/76/04/791687604.db2.gz MHFXZKSMMDNFTI-JYAVWHMHSA-N 2 0 337.424 -1.074 20 0 EAADRP Cn1c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)cc(=O)n(C)c1=O ZINC001114772150 791691040 /nfs/dbraw/zinc/69/10/40/791691040.db2.gz MIIZPEMDUWXBDI-VIKVFOODSA-N 2 0 349.435 -1.418 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001114778060 791690646 /nfs/dbraw/zinc/69/06/46/791690646.db2.gz DTQCPZNEEPLVOX-SZOQZIPDSA-N 2 0 338.452 -1.032 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001114778792 791691330 /nfs/dbraw/zinc/69/13/30/791691330.db2.gz RMWUYEDCCMSJOC-JYAVWHMHSA-N 2 0 337.424 -1.074 20 0 EAADRP CN(CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001114779236 791690897 /nfs/dbraw/zinc/69/08/97/791690897.db2.gz ZSBUUFQRQVZROG-IMRBUKKESA-N 2 0 332.470 -1.124 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781762 791692681 /nfs/dbraw/zinc/69/26/81/791692681.db2.gz WWLWBHQIOYJELH-DCQANWLSSA-N 2 0 325.413 -1.171 20 0 EAADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001114854825 791701039 /nfs/dbraw/zinc/70/10/39/791701039.db2.gz RHFIFPRAENTZKQ-KZVDOYCCSA-N 2 0 337.424 -1.075 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114996562 786149063 /nfs/dbraw/zinc/14/90/63/786149063.db2.gz AAQRKPFOIIIYSS-JYAVWHMHSA-N 2 0 337.424 -1.074 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115081880 792610708 /nfs/dbraw/zinc/61/07/08/792610708.db2.gz ZUCFPVPIVJPGMT-JYAVWHMHSA-N 2 0 337.424 -1.074 20 0 EAADRP C[C@@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125770 792617945 /nfs/dbraw/zinc/61/79/45/792617945.db2.gz BUGDCMVDLCRVCQ-MEWQQHAOSA-N 2 0 341.412 -1.806 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001115125912 792617574 /nfs/dbraw/zinc/61/75/74/792617574.db2.gz DPFAZIUNBRTUSY-NHAGDIPZSA-N 2 0 339.440 -1.364 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115126582 792617566 /nfs/dbraw/zinc/61/75/66/792617566.db2.gz PVNJGUIKURHBIE-OZTPJHRESA-N 2 0 338.408 -1.584 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115126584 792617512 /nfs/dbraw/zinc/61/75/12/792617512.db2.gz PVNJGUIKURHBIE-ZAZJYDDPSA-N 2 0 338.408 -1.584 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115161494 792619664 /nfs/dbraw/zinc/61/96/64/792619664.db2.gz GRKZQFHBLWZVDM-JYAVWHMHSA-N 2 0 337.424 -1.074 20 0 EAADRP CN(CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001115241458 791433808 /nfs/dbraw/zinc/43/38/08/791433808.db2.gz IHMFXVSXLJYVDL-IGQOVBAYSA-N 2 0 344.481 -1.124 20 0 EAADRP CN(CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001115241459 791434215 /nfs/dbraw/zinc/43/42/15/791434215.db2.gz IHMFXVSXLJYVDL-MQYQWHSLSA-N 2 0 344.481 -1.124 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115303589 792648170 /nfs/dbraw/zinc/64/81/70/792648170.db2.gz GNSUWTSGHWXVOJ-JYAVWHMHSA-N 2 0 337.424 -1.075 20 0 EAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)n1 ZINC001116336603 792666119 /nfs/dbraw/zinc/66/61/19/792666119.db2.gz UCDZUJUQMZPWDY-LLVKDONJSA-N 2 0 326.401 -1.578 20 0 EAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)n1 ZINC001116336608 792666337 /nfs/dbraw/zinc/66/63/37/792666337.db2.gz UCDZUJUQMZPWDY-NSHDSACASA-N 2 0 326.401 -1.578 20 0 EAADRP NC(=O)N[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC001116418128 792665908 /nfs/dbraw/zinc/66/59/08/792665908.db2.gz PLMAFYADQPMHRG-RYUDHWBXSA-N 2 0 328.417 -1.512 20 0 EAADRP NC(=O)N[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](NC(N)=O)C2)C1 ZINC001116418132 792666141 /nfs/dbraw/zinc/66/61/41/792666141.db2.gz PLMAFYADQPMHRG-VXGBXAGGSA-N 2 0 328.417 -1.512 20 0 EAADRP CN(C)C(=O)CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001117053505 792679640 /nfs/dbraw/zinc/67/96/40/792679640.db2.gz ATHIQVGGVDSTKV-UHFFFAOYSA-N 2 0 329.445 -1.467 20 0 EAADRP Cc1nnc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1C ZINC001117172443 792686970 /nfs/dbraw/zinc/68/69/70/792686970.db2.gz QMNLBOGVZKTGFO-UHFFFAOYSA-N 2 0 339.444 -1.308 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1cncn1 ZINC001117268188 792688565 /nfs/dbraw/zinc/68/85/65/792688565.db2.gz URYRUGOJGDXVPI-UHFFFAOYSA-N 2 0 325.417 -1.654 20 0 EAADRP Cn1cnc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001117432840 792704798 /nfs/dbraw/zinc/70/47/98/792704798.db2.gz UPRPDCGDLAJEPQ-UHFFFAOYSA-N 2 0 325.417 -1.617 20 0 EAADRP OC[C@H]1CC[N@H+](CCOCC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC001117507495 792707908 /nfs/dbraw/zinc/70/79/08/792707908.db2.gz MZVQPJBQNAEHAR-FZKCQIBNSA-N 2 0 332.441 -1.647 20 0 EAADRP OC[C@H]1CC[N@H+](CCOCC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001117507496 792708170 /nfs/dbraw/zinc/70/81/70/792708170.db2.gz MZVQPJBQNAEHAR-GEEKYZPCSA-N 2 0 332.441 -1.647 20 0 EAADRP OC[C@H]1CC[N@H+](CCOCC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001117507497 792707487 /nfs/dbraw/zinc/70/74/87/792707487.db2.gz MZVQPJBQNAEHAR-QKPAOTATSA-N 2 0 332.441 -1.647 20 0 EAADRP OC[C@H]1CC[N@H+](CCOCC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC001117507498 792707942 /nfs/dbraw/zinc/70/79/42/792707942.db2.gz MZVQPJBQNAEHAR-SYMSYNOKSA-N 2 0 332.441 -1.647 20 0 EAADRP COC(=O)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001117858677 792719008 /nfs/dbraw/zinc/71/90/08/792719008.db2.gz PKWZDDWOGFMQCT-CYBMUJFWSA-N 2 0 342.440 -1.040 20 0 EAADRP COC(=O)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001117858678 792718669 /nfs/dbraw/zinc/71/86/69/792718669.db2.gz PKWZDDWOGFMQCT-ZDUSSCGKSA-N 2 0 342.440 -1.040 20 0 EAADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC001118035685 792721564 /nfs/dbraw/zinc/72/15/64/792721564.db2.gz URWFKHAQFABLBJ-KBPBESRZSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC001118035686 792721959 /nfs/dbraw/zinc/72/19/59/792721959.db2.gz URWFKHAQFABLBJ-KGLIPLIRSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC001118035687 792721460 /nfs/dbraw/zinc/72/14/60/792721460.db2.gz URWFKHAQFABLBJ-UONOGXRCSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC001118035688 792721572 /nfs/dbraw/zinc/72/15/72/792721572.db2.gz URWFKHAQFABLBJ-ZIAGYGMSSA-N 2 0 325.457 -1.003 20 0 EAADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C)CC3)C[C@H]2[NH3+])cn1 ZINC001118085459 792723201 /nfs/dbraw/zinc/72/32/01/792723201.db2.gz FXNQFLLRAJBMBX-UONOGXRCSA-N 2 0 334.424 -1.116 20 0 EAADRP O=C1NC(=O)[C@@H]2C[NH+](CCCC[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)C[C@H]12 ZINC001118197642 792729143 /nfs/dbraw/zinc/72/91/43/792729143.db2.gz MOSDWMLZIABVKK-BKUVIOGVSA-N 2 0 334.376 -1.825 20 0 EAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001118325322 792740535 /nfs/dbraw/zinc/74/05/35/792740535.db2.gz CYWFVKMRXIXWHE-OKILXGFUSA-N 2 0 325.457 -1.146 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC001118330163 792740311 /nfs/dbraw/zinc/74/03/11/792740311.db2.gz GKVWZTKVXHJXEC-AWEZNQCLSA-N 2 0 325.457 -1.064 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC001118330164 792740359 /nfs/dbraw/zinc/74/03/59/792740359.db2.gz GKVWZTKVXHJXEC-CQSZACIVSA-N 2 0 325.457 -1.064 20 0 EAADRP OC(CN1CC[NH+]2C[C@H](O)C[C@H]2C1)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118370022 792744536 /nfs/dbraw/zinc/74/45/36/792744536.db2.gz XKRXMKTYBRIEOB-CAOSSQGBSA-N 2 0 340.468 -2.151 20 0 EAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118389741 792746090 /nfs/dbraw/zinc/74/60/90/792746090.db2.gz PPGQUPVNKBZAQA-XQQFMLRXSA-N 2 0 326.397 -2.242 20 0 EAADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118389916 792745287 /nfs/dbraw/zinc/74/52/87/792745287.db2.gz PPGQUPVNKBZAQA-YNEHKIRRSA-N 2 0 326.397 -2.242 20 0 EAADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC001118395734 792746105 /nfs/dbraw/zinc/74/61/05/792746105.db2.gz UOVNFIHESBXELC-XQQFMLRXSA-N 2 0 326.397 -2.160 20 0 EAADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC001118395737 792746070 /nfs/dbraw/zinc/74/60/70/792746070.db2.gz UOVNFIHESBXELC-YNEHKIRRSA-N 2 0 326.397 -2.160 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118403629 792746033 /nfs/dbraw/zinc/74/60/33/792746033.db2.gz RKMKZBAUILHDHD-HZSPNIEDSA-N 2 0 325.457 -1.195 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118403630 792745695 /nfs/dbraw/zinc/74/56/95/792745695.db2.gz RKMKZBAUILHDHD-MJBXVCDLSA-N 2 0 325.457 -1.195 20 0 EAADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001118482418 792749582 /nfs/dbraw/zinc/74/95/82/792749582.db2.gz MSMGIQDSRRHMIS-ZDUSSCGKSA-N 2 0 339.440 -1.477 20 0 EAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001118486354 792749275 /nfs/dbraw/zinc/74/92/75/792749275.db2.gz LVOVEWBLACGSQI-NEPJUHHUSA-N 2 0 325.413 -1.832 20 0 EAADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001118486355 792750150 /nfs/dbraw/zinc/75/01/50/792750150.db2.gz LVOVEWBLACGSQI-RYUDHWBXSA-N 2 0 325.413 -1.832 20 0 EAADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC001118490058 792750134 /nfs/dbraw/zinc/75/01/34/792750134.db2.gz BOYIOQXQLUTWHC-KBPBESRZSA-N 2 0 340.424 -1.458 20 0 EAADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC001118490059 792749918 /nfs/dbraw/zinc/74/99/18/792749918.db2.gz BOYIOQXQLUTWHC-KGLIPLIRSA-N 2 0 340.424 -1.458 20 0 EAADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC001118490060 792749870 /nfs/dbraw/zinc/74/98/70/792749870.db2.gz BOYIOQXQLUTWHC-UONOGXRCSA-N 2 0 340.424 -1.458 20 0 EAADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC001118490061 792749449 /nfs/dbraw/zinc/74/94/49/792749449.db2.gz BOYIOQXQLUTWHC-ZIAGYGMSSA-N 2 0 340.424 -1.458 20 0 EAADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118490876 792749205 /nfs/dbraw/zinc/74/92/05/792749205.db2.gz POMDWJYUYMEJEJ-LLVKDONJSA-N 2 0 336.396 -1.190 20 0 EAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118490877 792750069 /nfs/dbraw/zinc/75/00/69/792750069.db2.gz POMDWJYUYMEJEJ-NSHDSACASA-N 2 0 336.396 -1.190 20 0 EAADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC001118548135 792753937 /nfs/dbraw/zinc/75/39/37/792753937.db2.gz HPIDCFSXEZKGLK-UHFFFAOYSA-N 2 0 341.456 -1.148 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001118552176 792754403 /nfs/dbraw/zinc/75/44/03/792754403.db2.gz GVYDNPNLPNOOFI-ILXRZTDVSA-N 2 0 337.468 -1.051 20 0 EAADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001118552178 792754444 /nfs/dbraw/zinc/75/44/44/792754444.db2.gz GVYDNPNLPNOOFI-KKUMJFAQSA-N 2 0 337.468 -1.051 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001118552179 792755057 /nfs/dbraw/zinc/75/50/57/792755057.db2.gz GVYDNPNLPNOOFI-QLFBSQMISA-N 2 0 337.468 -1.051 20 0 EAADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001118552180 792755413 /nfs/dbraw/zinc/75/54/13/792755413.db2.gz GVYDNPNLPNOOFI-SOUVJXGZSA-N 2 0 337.468 -1.051 20 0 EAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001118553292 792754597 /nfs/dbraw/zinc/75/45/97/792754597.db2.gz RNTWGYJROJTIAN-JTQLQIEISA-N 2 0 336.396 -1.142 20 0 EAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001118553293 792755023 /nfs/dbraw/zinc/75/50/23/792755023.db2.gz RNTWGYJROJTIAN-SNVBAGLBSA-N 2 0 336.396 -1.142 20 0 EAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118553541 792755337 /nfs/dbraw/zinc/75/53/37/792755337.db2.gz FYBDGFGXRSXKQM-UHFFFAOYSA-N 2 0 336.396 -1.189 20 0 EAADRP NC(=O)[C@@H]1C[C@@H](O)C[NH+]1CCCCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001118855546 792770221 /nfs/dbraw/zinc/77/02/21/792770221.db2.gz JCZDHABHERWAJU-MQYQWHSLSA-N 2 0 342.440 -1.612 20 0 EAADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001118861605 792771449 /nfs/dbraw/zinc/77/14/49/792771449.db2.gz MSMGIQDSRRHMIS-CYBMUJFWSA-N 2 0 339.440 -1.477 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001118865081 792770994 /nfs/dbraw/zinc/77/09/94/792770994.db2.gz IKGLKXRJEKXUTL-KBPBESRZSA-N 2 0 341.456 -1.685 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001118865087 792770839 /nfs/dbraw/zinc/77/08/39/792770839.db2.gz IKGLKXRJEKXUTL-KGLIPLIRSA-N 2 0 341.456 -1.685 20 0 EAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001118865088 792770752 /nfs/dbraw/zinc/77/07/52/792770752.db2.gz IKGLKXRJEKXUTL-UONOGXRCSA-N 2 0 341.456 -1.685 20 0 EAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001118865090 792770798 /nfs/dbraw/zinc/77/07/98/792770798.db2.gz IKGLKXRJEKXUTL-ZIAGYGMSSA-N 2 0 341.456 -1.685 20 0 EAADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001118867478 792771015 /nfs/dbraw/zinc/77/10/15/792771015.db2.gz LRGDQYJVNPNEFL-AWEZNQCLSA-N 2 0 341.456 -1.767 20 0 EAADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001118867479 792771285 /nfs/dbraw/zinc/77/12/85/792771285.db2.gz LRGDQYJVNPNEFL-CQSZACIVSA-N 2 0 341.456 -1.767 20 0 EAADRP [NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCOCC1 ZINC001118871722 792772144 /nfs/dbraw/zinc/77/21/44/792772144.db2.gz JKQUGDYYLFXTOF-NWDGAFQWSA-N 2 0 326.397 -2.112 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001118880938 792773639 /nfs/dbraw/zinc/77/36/39/792773639.db2.gz OLYLLUMJCRJNKU-CHWSQXEVSA-N 2 0 340.424 -1.430 20 0 EAADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001118915219 786318829 /nfs/dbraw/zinc/31/88/29/786318829.db2.gz GQKQZIVSVWHHDG-UHFFFAOYSA-N 2 0 325.457 -1.002 20 0 EAADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001118919367 792777036 /nfs/dbraw/zinc/77/70/36/792777036.db2.gz KCHYCGZMNDHLPZ-UHFFFAOYSA-N 2 0 342.440 -1.163 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001118919781 792776453 /nfs/dbraw/zinc/77/64/53/792776453.db2.gz OCTZJNLWJTXEQW-CYBMUJFWSA-N 2 0 329.445 -1.957 20 0 EAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001118919784 792776207 /nfs/dbraw/zinc/77/62/07/792776207.db2.gz OCTZJNLWJTXEQW-ZDUSSCGKSA-N 2 0 329.445 -1.957 20 0 EAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118924221 792777045 /nfs/dbraw/zinc/77/70/45/792777045.db2.gz GGXJGERXTMFQGL-GFCCVEGCSA-N 2 0 328.413 -1.553 20 0 EAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118924223 792776756 /nfs/dbraw/zinc/77/67/56/792776756.db2.gz GGXJGERXTMFQGL-LBPRGKRZSA-N 2 0 328.413 -1.553 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C[NH+]1CCN(C)CC1 ZINC001118924279 792777490 /nfs/dbraw/zinc/77/74/90/792777490.db2.gz HBKOCNBBRRBYEX-AWEZNQCLSA-N 2 0 343.472 -1.580 20 0 EAADRP C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C[NH+]1CCN(C)CC1 ZINC001118924280 792776239 /nfs/dbraw/zinc/77/62/39/792776239.db2.gz HBKOCNBBRRBYEX-CQSZACIVSA-N 2 0 343.472 -1.580 20 0 EAADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC001118924504 792776709 /nfs/dbraw/zinc/77/67/09/792776709.db2.gz KFSKXNXPTQOLKF-CHWSQXEVSA-N 2 0 340.424 -1.410 20 0 EAADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC001118924506 792776147 /nfs/dbraw/zinc/77/61/47/792776147.db2.gz KFSKXNXPTQOLKF-OLZOCXBDSA-N 2 0 340.424 -1.410 20 0 EAADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCOCC1 ZINC001118924507 792777207 /nfs/dbraw/zinc/77/72/07/792777207.db2.gz KFSKXNXPTQOLKF-QWHCGFSZSA-N 2 0 340.424 -1.410 20 0 EAADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCOCC1 ZINC001118924509 792776796 /nfs/dbraw/zinc/77/67/96/792776796.db2.gz KFSKXNXPTQOLKF-STQMWFEESA-N 2 0 340.424 -1.410 20 0 EAADRP C[NH+]1CCN(CCCCNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001118933338 792778857 /nfs/dbraw/zinc/77/88/57/792778857.db2.gz MDOOOKLTXSSPEW-AWEZNQCLSA-N 2 0 334.486 -1.078 20 0 EAADRP C[NH+]1CCN(CCCCNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001118933339 792778113 /nfs/dbraw/zinc/77/81/13/792778113.db2.gz MDOOOKLTXSSPEW-CQSZACIVSA-N 2 0 334.486 -1.078 20 0 EAADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC001119036721 792784564 /nfs/dbraw/zinc/78/45/64/792784564.db2.gz MKLKNQUMDBUMHF-GASCZTMLSA-N 2 0 349.479 -1.097 20 0 EAADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119037681 792784919 /nfs/dbraw/zinc/78/49/19/792784919.db2.gz XEEJPUKRSPNAJO-UHFFFAOYSA-N 2 0 325.457 -1.097 20 0 EAADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC001119037871 792784744 /nfs/dbraw/zinc/78/47/44/792784744.db2.gz ZHTMYGKGZDSZOT-ZFWWWQNUSA-N 2 0 335.452 -1.203 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C[NH+](C)C ZINC001119273581 792789936 /nfs/dbraw/zinc/78/99/36/792789936.db2.gz VJMGCRLKCPPEEL-VXGBXAGGSA-N 2 0 325.413 -1.264 20 0 EAADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001119294381 792791105 /nfs/dbraw/zinc/79/11/05/792791105.db2.gz AAFFTQZYXITSIV-LBPRGKRZSA-N 2 0 341.456 -1.101 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001119411262 792793040 /nfs/dbraw/zinc/79/30/40/792793040.db2.gz ARRMEBIAQFCUOU-IHRRRGAJSA-N 2 0 325.457 -1.018 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001119411263 792792597 /nfs/dbraw/zinc/79/25/97/792792597.db2.gz ARRMEBIAQFCUOU-MGPQQGTHSA-N 2 0 325.457 -1.018 20 0 EAADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH+](C)CC1 ZINC001119414096 792792650 /nfs/dbraw/zinc/79/26/50/792792650.db2.gz BCUAERCIGAHZEB-KKUMJFAQSA-N 2 0 337.468 -1.053 20 0 EAADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH+](C)CC1 ZINC001119414097 792792866 /nfs/dbraw/zinc/79/28/66/792792866.db2.gz BCUAERCIGAHZEB-SOUVJXGZSA-N 2 0 337.468 -1.053 20 0 EAADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001119414712 792792431 /nfs/dbraw/zinc/79/24/31/792792431.db2.gz KZWUMMXUOFFHOD-JOCQHMNTSA-N 2 0 325.457 -1.018 20 0 EAADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618545 792795278 /nfs/dbraw/zinc/79/52/78/792795278.db2.gz NNEFVQXVBQQCSV-DGAVXFQQSA-N 2 0 329.397 -1.123 20 0 EAADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618546 792795010 /nfs/dbraw/zinc/79/50/10/792795010.db2.gz NNEFVQXVBQQCSV-FQUUOJAGSA-N 2 0 329.397 -1.123 20 0 EAADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618547 792795197 /nfs/dbraw/zinc/79/51/97/792795197.db2.gz NNEFVQXVBQQCSV-RQJABVFESA-N 2 0 329.397 -1.123 20 0 EAADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618548 792794661 /nfs/dbraw/zinc/79/46/61/792794661.db2.gz NNEFVQXVBQQCSV-SYQHCUMBSA-N 2 0 329.397 -1.123 20 0 EAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCNCC[NH2+]CC2)cn1 ZINC001119711001 792796917 /nfs/dbraw/zinc/79/69/17/792796917.db2.gz FIGANAOYASJESN-UHFFFAOYSA-N 2 0 337.428 -1.595 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(CC(N)=O)C1 ZINC001119830702 792798573 /nfs/dbraw/zinc/79/85/73/792798573.db2.gz LTNPYBCEULYOSM-UHFFFAOYSA-N 2 0 341.456 -1.292 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC=C[C@H]2CO)C[C@H]1C[NH+](C)C ZINC001120387640 792808392 /nfs/dbraw/zinc/80/83/92/792808392.db2.gz HIEAQJBDCOPNAV-KFWWJZLASA-N 2 0 338.452 -1.057 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC=C[C@@H]2CO)C[C@H]1C[NH+](C)C ZINC001120387643 792808355 /nfs/dbraw/zinc/80/83/55/792808355.db2.gz HIEAQJBDCOPNAV-RBSFLKMASA-N 2 0 338.452 -1.057 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[C@H]1C[NH3+] ZINC001120420726 792809842 /nfs/dbraw/zinc/80/98/42/792809842.db2.gz PFGYKBYVVQOWLE-HZSPNIEDSA-N 2 0 325.457 -1.208 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[C@@H]1C[NH3+] ZINC001120420727 792810164 /nfs/dbraw/zinc/81/01/64/792810164.db2.gz PFGYKBYVVQOWLE-MCIONIFRSA-N 2 0 325.457 -1.208 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[C@@H]1C[NH3+] ZINC001120420728 792809936 /nfs/dbraw/zinc/80/99/36/792809936.db2.gz PFGYKBYVVQOWLE-MGPQQGTHSA-N 2 0 325.457 -1.208 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[C@H]1C[NH3+] ZINC001120420729 792810628 /nfs/dbraw/zinc/81/06/28/792810628.db2.gz PFGYKBYVVQOWLE-RDBSUJKOSA-N 2 0 325.457 -1.208 20 0 EAADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1[NH3+] ZINC001120421420 792812749 /nfs/dbraw/zinc/81/27/49/792812749.db2.gz WTSBFAHEUYKNCH-ZIAGYGMSSA-N 2 0 325.457 -1.064 20 0 EAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC001120429499 792811074 /nfs/dbraw/zinc/81/10/74/792811074.db2.gz VIWMHAYAETYDBZ-CYBMUJFWSA-N 2 0 330.429 -1.482 20 0 EAADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC001120429500 792812390 /nfs/dbraw/zinc/81/23/90/792812390.db2.gz VIWMHAYAETYDBZ-ZDUSSCGKSA-N 2 0 330.429 -1.482 20 0 EAADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1)C[NH+](C)C ZINC001120442874 792811481 /nfs/dbraw/zinc/81/14/81/792811481.db2.gz HSOYGNNARPRISX-HZSPNIEDSA-N 2 0 344.456 -1.109 20 0 EAADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1)C[NH+](C)C ZINC001120442875 792812588 /nfs/dbraw/zinc/81/25/88/792812588.db2.gz HSOYGNNARPRISX-MGPQQGTHSA-N 2 0 344.456 -1.109 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCON)C[C@H]1C[NH+](C)C ZINC001120445869 792813313 /nfs/dbraw/zinc/81/33/13/792813313.db2.gz GECWYFGIJHQUKD-CHWSQXEVSA-N 2 0 329.445 -1.419 20 0 EAADRP Cn1ccc(=O)n(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1=O ZINC001120511497 792814927 /nfs/dbraw/zinc/81/49/27/792814927.db2.gz OMFXQBWQHWBLBE-AWEZNQCLSA-N 2 0 339.440 -1.865 20 0 EAADRP Cn1ccc(=O)n(CCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1=O ZINC001120511498 792814880 /nfs/dbraw/zinc/81/48/80/792814880.db2.gz OMFXQBWQHWBLBE-CQSZACIVSA-N 2 0 339.440 -1.865 20 0 EAADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001120516658 792814788 /nfs/dbraw/zinc/81/47/88/792814788.db2.gz IALVCCXBANLCRZ-KBPBESRZSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001120516659 792816256 /nfs/dbraw/zinc/81/62/56/792816256.db2.gz IALVCCXBANLCRZ-KGLIPLIRSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001120516660 792816151 /nfs/dbraw/zinc/81/61/51/792816151.db2.gz IALVCCXBANLCRZ-UONOGXRCSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001120516661 792816018 /nfs/dbraw/zinc/81/60/18/792816018.db2.gz IALVCCXBANLCRZ-ZIAGYGMSSA-N 2 0 325.457 -1.003 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001120520537 792816175 /nfs/dbraw/zinc/81/61/75/792816175.db2.gz PDGPCOJVNAOHIL-ZIAGYGMSSA-N 2 0 325.457 -1.146 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001120524093 792817041 /nfs/dbraw/zinc/81/70/41/792817041.db2.gz NMBMLVPVQLTJIG-CYBMUJFWSA-N 2 0 330.429 -1.482 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001120524094 792817334 /nfs/dbraw/zinc/81/73/34/792817334.db2.gz NMBMLVPVQLTJIG-ZDUSSCGKSA-N 2 0 330.429 -1.482 20 0 EAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001120536195 792816806 /nfs/dbraw/zinc/81/68/06/792816806.db2.gz VDKDVYKASXGAMK-CYBMUJFWSA-N 2 0 325.457 -1.064 20 0 EAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001120536198 792816678 /nfs/dbraw/zinc/81/66/78/792816678.db2.gz VDKDVYKASXGAMK-ZDUSSCGKSA-N 2 0 325.457 -1.064 20 0 EAADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121929226 792879842 /nfs/dbraw/zinc/87/98/42/792879842.db2.gz ZIFZSGBHLWYGFU-AWEZNQCLSA-N 2 0 325.457 -1.063 20 0 EAADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121929227 792879969 /nfs/dbraw/zinc/87/99/69/792879969.db2.gz ZIFZSGBHLWYGFU-CQSZACIVSA-N 2 0 325.457 -1.063 20 0 EAADRP COCC[N@H+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001121990828 792882575 /nfs/dbraw/zinc/88/25/75/792882575.db2.gz IUTAPUKUSATKCL-JSGCOSHPSA-N 2 0 333.454 -1.295 20 0 EAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001122004390 792883751 /nfs/dbraw/zinc/88/37/51/792883751.db2.gz LRBKMYZPUVYZBS-CABCVRRESA-N 2 0 325.457 -1.587 20 0 EAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001122004391 792883988 /nfs/dbraw/zinc/88/39/88/792883988.db2.gz LRBKMYZPUVYZBS-GJZGRUSLSA-N 2 0 325.457 -1.587 20 0 EAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001122004392 792884264 /nfs/dbraw/zinc/88/42/64/792884264.db2.gz LRBKMYZPUVYZBS-HUUCEWRRSA-N 2 0 325.457 -1.587 20 0 EAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001122004393 792884019 /nfs/dbraw/zinc/88/40/19/792884019.db2.gz LRBKMYZPUVYZBS-LSDHHAIUSA-N 2 0 325.457 -1.587 20 0 EAADRP C[C@@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)N1CC[NH+](C)CC1 ZINC001122009982 792884462 /nfs/dbraw/zinc/88/44/62/792884462.db2.gz YTHYLYUZFPWTDL-KBPBESRZSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)N1CC[NH+](C)CC1 ZINC001122009983 792884411 /nfs/dbraw/zinc/88/44/11/792884411.db2.gz YTHYLYUZFPWTDL-KGLIPLIRSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)N1CC[NH+](C)CC1 ZINC001122009984 792884129 /nfs/dbraw/zinc/88/41/29/792884129.db2.gz YTHYLYUZFPWTDL-UONOGXRCSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)N1CC[NH+](C)CC1 ZINC001122009985 792884569 /nfs/dbraw/zinc/88/45/69/792884569.db2.gz YTHYLYUZFPWTDL-ZIAGYGMSSA-N 2 0 325.457 -1.064 20 0 EAADRP COCC[NH2+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001122127345 792889742 /nfs/dbraw/zinc/88/97/42/792889742.db2.gz UBSASFJCIJGMLB-WFASDCNBSA-N 2 0 345.465 -1.152 20 0 EAADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122155862 792891136 /nfs/dbraw/zinc/89/11/36/792891136.db2.gz SVCZWXZVPYDZAA-AWEZNQCLSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001122155863 792892215 /nfs/dbraw/zinc/89/22/15/792892215.db2.gz SVCZWXZVPYDZAA-CQSZACIVSA-N 2 0 325.457 -1.003 20 0 EAADRP O=C(NCC[NH2+]CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001122366897 792907824 /nfs/dbraw/zinc/90/78/24/792907824.db2.gz YRYCAKNBGHLQNK-DACLVMHWSA-N 3 0 349.479 -1.192 20 0 EAADRP O=C(NCC[NH2+]CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001122366898 792907219 /nfs/dbraw/zinc/90/72/19/792907219.db2.gz YRYCAKNBGHLQNK-DFEHZGFQSA-N 3 0 349.479 -1.192 20 0 EAADRP O=C(NCC[NH2+]CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001122366899 792907605 /nfs/dbraw/zinc/90/76/05/792907605.db2.gz YRYCAKNBGHLQNK-MHGIMSBQSA-N 3 0 349.479 -1.192 20 0 EAADRP O=C(NCC[NH2+]CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001122366900 792907731 /nfs/dbraw/zinc/90/77/31/792907731.db2.gz YRYCAKNBGHLQNK-USJZOSNVSA-N 3 0 349.479 -1.192 20 0 EAADRP C[NH2+]C1CC(C(=O)NCC[NH2+]CCNC(=O)C2CC([NH2+]C)C2)C1 ZINC001122452845 792914463 /nfs/dbraw/zinc/91/44/63/792914463.db2.gz WLDZTDMLFCXXDY-UHFFFAOYSA-N 3 0 325.457 -1.196 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866360 793013761 /nfs/dbraw/zinc/01/37/61/793013761.db2.gz AWQVXPDACUQNAI-NEPJUHHUSA-N 2 0 343.428 -1.353 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866361 793014053 /nfs/dbraw/zinc/01/40/53/793014053.db2.gz AWQVXPDACUQNAI-NWDGAFQWSA-N 2 0 343.428 -1.353 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866362 793014451 /nfs/dbraw/zinc/01/44/51/793014451.db2.gz AWQVXPDACUQNAI-RYUDHWBXSA-N 2 0 343.428 -1.353 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866363 793014801 /nfs/dbraw/zinc/01/48/01/793014801.db2.gz AWQVXPDACUQNAI-VXGBXAGGSA-N 2 0 343.428 -1.353 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001124866568 786040867 /nfs/dbraw/zinc/04/08/67/786040867.db2.gz GCMPNDJSQMBSEQ-CHWSQXEVSA-N 2 0 339.440 -1.490 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001124866569 786040697 /nfs/dbraw/zinc/04/06/97/786040697.db2.gz GCMPNDJSQMBSEQ-OLZOCXBDSA-N 2 0 339.440 -1.490 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001124866570 786040600 /nfs/dbraw/zinc/04/06/00/786040600.db2.gz GCMPNDJSQMBSEQ-QWHCGFSZSA-N 2 0 339.440 -1.490 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001124866571 786040728 /nfs/dbraw/zinc/04/07/28/786040728.db2.gz GCMPNDJSQMBSEQ-STQMWFEESA-N 2 0 339.440 -1.490 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001124866648 786040707 /nfs/dbraw/zinc/04/07/07/786040707.db2.gz HWDOWBNWCCVOBI-AWEZNQCLSA-N 2 0 339.440 -1.523 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001124866649 786040892 /nfs/dbraw/zinc/04/08/92/786040892.db2.gz HWDOWBNWCCVOBI-CQSZACIVSA-N 2 0 339.440 -1.523 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001124867338 793013505 /nfs/dbraw/zinc/01/35/05/793013505.db2.gz UUTWDNOZIJYXLC-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001124867345 793013657 /nfs/dbraw/zinc/01/36/57/793013657.db2.gz UUTWDNOZIJYXLC-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001124867467 793014876 /nfs/dbraw/zinc/01/48/76/793014876.db2.gz WEKNHBBVFOESNN-NEPJUHHUSA-N 2 0 327.429 -1.621 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001124867469 793014103 /nfs/dbraw/zinc/01/41/03/793014103.db2.gz WEKNHBBVFOESNN-NWDGAFQWSA-N 2 0 327.429 -1.621 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001124867470 793013921 /nfs/dbraw/zinc/01/39/21/793013921.db2.gz WEKNHBBVFOESNN-RYUDHWBXSA-N 2 0 327.429 -1.621 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001124867472 793014314 /nfs/dbraw/zinc/01/43/14/793014314.db2.gz WEKNHBBVFOESNN-VXGBXAGGSA-N 2 0 327.429 -1.621 20 0 EAADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124867830 793014272 /nfs/dbraw/zinc/01/42/72/793014272.db2.gz ZILIZKXKQNZYCJ-CYBMUJFWSA-N 2 0 341.456 -1.229 20 0 EAADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867835 793014360 /nfs/dbraw/zinc/01/43/60/793014360.db2.gz ZILIZKXKQNZYCJ-ZDUSSCGKSA-N 2 0 341.456 -1.229 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124878393 793013403 /nfs/dbraw/zinc/01/34/03/793013403.db2.gz LQFTZSQNHVRFDF-NEPJUHHUSA-N 2 0 326.397 -1.704 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124878395 793014731 /nfs/dbraw/zinc/01/47/31/793014731.db2.gz LQFTZSQNHVRFDF-NWDGAFQWSA-N 2 0 326.397 -1.704 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124878397 793014420 /nfs/dbraw/zinc/01/44/20/793014420.db2.gz LQFTZSQNHVRFDF-RYUDHWBXSA-N 2 0 326.397 -1.704 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124878399 793014669 /nfs/dbraw/zinc/01/46/69/793014669.db2.gz LQFTZSQNHVRFDF-VXGBXAGGSA-N 2 0 326.397 -1.704 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001124878525 793014245 /nfs/dbraw/zinc/01/42/45/793014245.db2.gz NIUNGSRGOUSKSK-CYBMUJFWSA-N 2 0 339.440 -1.490 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001124878526 793014710 /nfs/dbraw/zinc/01/47/10/793014710.db2.gz NIUNGSRGOUSKSK-ZDUSSCGKSA-N 2 0 339.440 -1.490 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001125213949 786044157 /nfs/dbraw/zinc/04/41/57/786044157.db2.gz NKNQMBMSGJVAGC-SECBINFHSA-N 2 0 326.319 -1.299 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001125213951 786044255 /nfs/dbraw/zinc/04/42/55/786044255.db2.gz NKNQMBMSGJVAGC-VIFPVBQESA-N 2 0 326.319 -1.299 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001125219787 786043970 /nfs/dbraw/zinc/04/39/70/786043970.db2.gz BSTSDMSENLSVBG-LLVKDONJSA-N 2 0 327.385 -1.989 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001125219788 786044416 /nfs/dbraw/zinc/04/44/16/786044416.db2.gz BSTSDMSENLSVBG-NSHDSACASA-N 2 0 327.385 -1.989 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)Nc1ncccn1 ZINC001125220377 786044186 /nfs/dbraw/zinc/04/41/86/786044186.db2.gz HKTKBXIGJOHWIP-NEPJUHHUSA-N 2 0 336.396 -1.160 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CN(C)CCO1)C(=O)Nc1ncccn1 ZINC001125220379 786044011 /nfs/dbraw/zinc/04/40/11/786044011.db2.gz HKTKBXIGJOHWIP-NWDGAFQWSA-N 2 0 336.396 -1.160 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)Nc1ncccn1 ZINC001125220381 786044247 /nfs/dbraw/zinc/04/42/47/786044247.db2.gz HKTKBXIGJOHWIP-RYUDHWBXSA-N 2 0 336.396 -1.160 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CN(C)CCO1)C(=O)Nc1ncccn1 ZINC001125220383 786043985 /nfs/dbraw/zinc/04/39/85/786043985.db2.gz HKTKBXIGJOHWIP-VXGBXAGGSA-N 2 0 336.396 -1.160 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001125220495 786044431 /nfs/dbraw/zinc/04/44/31/786044431.db2.gz IHNYGVCXIQFIRB-SECBINFHSA-N 2 0 328.398 -1.487 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001125220500 786044228 /nfs/dbraw/zinc/04/42/28/786044228.db2.gz IHNYGVCXIQFIRB-VIFPVBQESA-N 2 0 328.398 -1.487 20 0 EAADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)CCO2)CCO1 ZINC001125220542 786044107 /nfs/dbraw/zinc/04/41/07/786044107.db2.gz IXPRRNRIPSIPBM-CHWSQXEVSA-N 2 0 328.413 -1.730 20 0 EAADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC001125220543 786044302 /nfs/dbraw/zinc/04/43/02/786044302.db2.gz IXPRRNRIPSIPBM-OLZOCXBDSA-N 2 0 328.413 -1.730 20 0 EAADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)CCO2)CCO1 ZINC001125220544 786044763 /nfs/dbraw/zinc/04/47/63/786044763.db2.gz IXPRRNRIPSIPBM-QWHCGFSZSA-N 2 0 328.413 -1.730 20 0 EAADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC001125220545 786044141 /nfs/dbraw/zinc/04/41/41/786044141.db2.gz IXPRRNRIPSIPBM-STQMWFEESA-N 2 0 328.413 -1.730 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001125220574 786044274 /nfs/dbraw/zinc/04/42/74/786044274.db2.gz JOHCUOPVQIGDQZ-CHWSQXEVSA-N 2 0 328.413 -1.682 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001125220576 786043936 /nfs/dbraw/zinc/04/39/36/786043936.db2.gz JOHCUOPVQIGDQZ-OLZOCXBDSA-N 2 0 328.413 -1.682 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001125220577 786044609 /nfs/dbraw/zinc/04/46/09/786044609.db2.gz JOHCUOPVQIGDQZ-QWHCGFSZSA-N 2 0 328.413 -1.682 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001125220579 786044373 /nfs/dbraw/zinc/04/43/73/786044373.db2.gz JOHCUOPVQIGDQZ-STQMWFEESA-N 2 0 328.413 -1.682 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001125220678 786044675 /nfs/dbraw/zinc/04/46/75/786044675.db2.gz KSXDDPACRYCKQV-CHWSQXEVSA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001125220682 786044220 /nfs/dbraw/zinc/04/42/20/786044220.db2.gz KSXDDPACRYCKQV-OLZOCXBDSA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001125220684 786044239 /nfs/dbraw/zinc/04/42/39/786044239.db2.gz KSXDDPACRYCKQV-QWHCGFSZSA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001125220685 786044440 /nfs/dbraw/zinc/04/44/40/786044440.db2.gz KSXDDPACRYCKQV-STQMWFEESA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001125220912 786044712 /nfs/dbraw/zinc/04/47/12/786044712.db2.gz MNRGTIDQTFBBQT-QWHCGFSZSA-N 2 0 328.413 -1.994 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001125220913 786044059 /nfs/dbraw/zinc/04/40/59/786044059.db2.gz MNRGTIDQTFBBQT-STQMWFEESA-N 2 0 328.413 -1.994 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001125221233 786044090 /nfs/dbraw/zinc/04/40/90/786044090.db2.gz OMDMTBQDHOIIOY-LLVKDONJSA-N 2 0 327.385 -3.019 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001125221236 786044476 /nfs/dbraw/zinc/04/44/76/786044476.db2.gz OMDMTBQDHOIIOY-NSHDSACASA-N 2 0 327.385 -3.019 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125222390 786043903 /nfs/dbraw/zinc/04/39/03/786043903.db2.gz VOYFZOIEZDRWHA-CHWSQXEVSA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125222392 786044001 /nfs/dbraw/zinc/04/40/01/786044001.db2.gz VOYFZOIEZDRWHA-OLZOCXBDSA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001125222394 786044775 /nfs/dbraw/zinc/04/47/75/786044775.db2.gz VOYFZOIEZDRWHA-QWHCGFSZSA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001125222396 786044051 /nfs/dbraw/zinc/04/40/51/786044051.db2.gz VOYFZOIEZDRWHA-STQMWFEESA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001125222598 786044592 /nfs/dbraw/zinc/04/45/92/786044592.db2.gz WLZFDGYMNVHKCZ-GFCCVEGCSA-N 2 0 334.442 -1.942 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001125222607 786043923 /nfs/dbraw/zinc/04/39/23/786043923.db2.gz WLZFDGYMNVHKCZ-LBPRGKRZSA-N 2 0 334.442 -1.942 20 0 EAADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CN(C)CCO2)s1 ZINC001125222701 786044067 /nfs/dbraw/zinc/04/40/67/786044067.db2.gz XDCPRISVJHPSNI-JTQLQIEISA-N 2 0 342.425 -1.179 20 0 EAADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)CCO2)s1 ZINC001125222706 786043956 /nfs/dbraw/zinc/04/39/56/786043956.db2.gz XDCPRISVJHPSNI-SNVBAGLBSA-N 2 0 342.425 -1.179 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001125222729 786044294 /nfs/dbraw/zinc/04/42/94/786044294.db2.gz XDNQPOMPGXCYQV-GFCCVEGCSA-N 2 0 333.454 -1.152 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001125222733 786044406 /nfs/dbraw/zinc/04/44/06/786044406.db2.gz XDNQPOMPGXCYQV-LBPRGKRZSA-N 2 0 333.454 -1.152 20 0 EAADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CN(C)CCO2)no1 ZINC001125222870 786043869 /nfs/dbraw/zinc/04/38/69/786043869.db2.gz XVKFJJWRHMCIHZ-LLVKDONJSA-N 2 0 325.369 -1.042 20 0 EAADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CN(C)CCO2)no1 ZINC001125222872 786044729 /nfs/dbraw/zinc/04/47/29/786044729.db2.gz XVKFJJWRHMCIHZ-NSHDSACASA-N 2 0 325.369 -1.042 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001125222889 786044362 /nfs/dbraw/zinc/04/43/62/786044362.db2.gz XXGGTQIPVGOJMQ-GHMZBOCLSA-N 2 0 343.346 -1.037 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001125222896 786044460 /nfs/dbraw/zinc/04/44/60/786044460.db2.gz XXGGTQIPVGOJMQ-MNOVXSKESA-N 2 0 343.346 -1.037 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001125222899 786044127 /nfs/dbraw/zinc/04/41/27/786044127.db2.gz XXGGTQIPVGOJMQ-QWRGUYRKSA-N 2 0 343.346 -1.037 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001125222901 786044392 /nfs/dbraw/zinc/04/43/92/786044392.db2.gz XXGGTQIPVGOJMQ-WDEREUQCSA-N 2 0 343.346 -1.037 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001125223182 786044034 /nfs/dbraw/zinc/04/40/34/786044034.db2.gz YUUQLMRBXAHRJX-LLVKDONJSA-N 2 0 327.385 -2.035 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001125223185 786044497 /nfs/dbraw/zinc/04/44/97/786044497.db2.gz YUUQLMRBXAHRJX-NSHDSACASA-N 2 0 327.385 -2.035 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223273 786044685 /nfs/dbraw/zinc/04/46/85/786044685.db2.gz ZOKOISHAKHOGHA-NEPJUHHUSA-N 2 0 342.396 -2.467 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223277 786044580 /nfs/dbraw/zinc/04/45/80/786044580.db2.gz ZOKOISHAKHOGHA-NWDGAFQWSA-N 2 0 342.396 -2.467 20 0 EAADRP CN1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223279 786044509 /nfs/dbraw/zinc/04/45/09/786044509.db2.gz ZOKOISHAKHOGHA-RYUDHWBXSA-N 2 0 342.396 -2.467 20 0 EAADRP CN1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223282 786044043 /nfs/dbraw/zinc/04/40/43/786044043.db2.gz ZOKOISHAKHOGHA-VXGBXAGGSA-N 2 0 342.396 -2.467 20 0 EAADRP O=C(CCc1ncc[nH]1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126447231 785575810 /nfs/dbraw/zinc/57/58/10/785575810.db2.gz BCUMDIJXOIXYCS-LLVKDONJSA-N 2 0 337.380 -1.442 20 0 EAADRP O=C(CCc1ncc[nH]1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126447234 785575493 /nfs/dbraw/zinc/57/54/93/785575493.db2.gz BCUMDIJXOIXYCS-NSHDSACASA-N 2 0 337.380 -1.442 20 0 EAADRP Cn1c(=O)cc(C[NH2+]CCNC(=O)CCc2ncc[nH]2)n(C)c1=O ZINC001126447868 785575430 /nfs/dbraw/zinc/57/54/30/785575430.db2.gz LAOGAWRNJKBPQB-UHFFFAOYSA-N 2 0 334.380 -1.354 20 0 EAADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127065851 785843580 /nfs/dbraw/zinc/84/35/80/785843580.db2.gz FZBDVOVGTWIXOW-CYBMUJFWSA-N 2 0 339.440 -1.477 20 0 EAADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127065852 785843842 /nfs/dbraw/zinc/84/38/42/785843842.db2.gz FZBDVOVGTWIXOW-ZDUSSCGKSA-N 2 0 339.440 -1.477 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466462 786030171 /nfs/dbraw/zinc/03/01/71/786030171.db2.gz KJRMDRYPGXUEHK-CMPLNLGQSA-N 2 0 325.413 -1.122 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466463 786030493 /nfs/dbraw/zinc/03/04/93/786030493.db2.gz KJRMDRYPGXUEHK-JQWIXIFHSA-N 2 0 325.413 -1.122 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466464 786030162 /nfs/dbraw/zinc/03/01/62/786030162.db2.gz KJRMDRYPGXUEHK-PWSUYJOCSA-N 2 0 325.413 -1.122 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466465 786030365 /nfs/dbraw/zinc/03/03/65/786030365.db2.gz KJRMDRYPGXUEHK-ZYHUDNBSSA-N 2 0 325.413 -1.122 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc(=O)n(C)c1=O ZINC001127466654 786030211 /nfs/dbraw/zinc/03/02/11/786030211.db2.gz YCPXNSKEQRPRMM-AWEZNQCLSA-N 2 0 349.435 -1.368 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc(=O)n(C)c1=O ZINC001127466655 786030551 /nfs/dbraw/zinc/03/05/51/786030551.db2.gz YCPXNSKEQRPRMM-CQSZACIVSA-N 2 0 349.435 -1.368 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475777 786030557 /nfs/dbraw/zinc/03/05/57/786030557.db2.gz YRVIXVKYSAOPOR-GFCCVEGCSA-N 2 0 325.413 -1.120 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475778 786030302 /nfs/dbraw/zinc/03/03/02/786030302.db2.gz YRVIXVKYSAOPOR-LBPRGKRZSA-N 2 0 325.413 -1.120 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCNC(=O)C1 ZINC001127475781 786030592 /nfs/dbraw/zinc/03/05/92/786030592.db2.gz YTVZWPQFSYIQLE-CYBMUJFWSA-N 2 0 337.424 -2.008 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCNC(=O)C1 ZINC001127475782 786030598 /nfs/dbraw/zinc/03/05/98/786030598.db2.gz YTVZWPQFSYIQLE-ZDUSSCGKSA-N 2 0 337.424 -2.008 20 0 EAADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127479243 786030219 /nfs/dbraw/zinc/03/02/19/786030219.db2.gz AFVJNQOYRPJWEJ-CYBMUJFWSA-N 2 0 332.470 -1.027 20 0 EAADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127479244 786030455 /nfs/dbraw/zinc/03/04/55/786030455.db2.gz AFVJNQOYRPJWEJ-ZDUSSCGKSA-N 2 0 332.470 -1.027 20 0 EAADRP CN(CC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)S(C)(=O)=O ZINC001127480436 786030087 /nfs/dbraw/zinc/03/00/87/786030087.db2.gz JPGYFFGULIUIBQ-CYBMUJFWSA-N 2 0 332.470 -1.075 20 0 EAADRP CN(CC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)S(C)(=O)=O ZINC001127480437 786030274 /nfs/dbraw/zinc/03/02/74/786030274.db2.gz JPGYFFGULIUIBQ-ZDUSSCGKSA-N 2 0 332.470 -1.075 20 0 EAADRP O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480456 786030487 /nfs/dbraw/zinc/03/04/87/786030487.db2.gz KEOICHUESQVFBT-CYBMUJFWSA-N 2 0 337.424 -1.024 20 0 EAADRP O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480457 786030270 /nfs/dbraw/zinc/03/02/70/786030270.db2.gz KEOICHUESQVFBT-ZDUSSCGKSA-N 2 0 337.424 -1.024 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCN2CCNC2=O)n1 ZINC001127558171 786033216 /nfs/dbraw/zinc/03/32/16/786033216.db2.gz GDMBGSUMSHUNBK-UHFFFAOYSA-N 2 0 337.428 -1.211 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)n1 ZINC001127559014 786033888 /nfs/dbraw/zinc/03/38/88/786033888.db2.gz YCHGRSBAYTYORD-LLVKDONJSA-N 2 0 336.396 -1.431 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)n1 ZINC001127559016 786033732 /nfs/dbraw/zinc/03/37/32/786033732.db2.gz YCHGRSBAYTYORD-NSHDSACASA-N 2 0 336.396 -1.431 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001127562120 786033897 /nfs/dbraw/zinc/03/38/97/786033897.db2.gz DATLKTXDGSPLNH-UHFFFAOYSA-N 2 0 325.373 -2.041 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NC(N)=O ZINC001127563263 786033548 /nfs/dbraw/zinc/03/35/48/786033548.db2.gz VJHVTXDSXYNHDZ-JTQLQIEISA-N 2 0 339.400 -1.653 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NC(N)=O ZINC001127563264 786033545 /nfs/dbraw/zinc/03/35/45/786033545.db2.gz VJHVTXDSXYNHDZ-SNVBAGLBSA-N 2 0 339.400 -1.653 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)n1 ZINC001127563392 786033724 /nfs/dbraw/zinc/03/37/24/786033724.db2.gz XZZVMLXLKXZDHD-UHFFFAOYSA-N 2 0 346.457 -1.687 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575773 786034475 /nfs/dbraw/zinc/03/44/75/786034475.db2.gz BDGUOGFQFQLOHX-UHFFFAOYSA-N 2 0 339.400 -1.780 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCS(C)(=O)=O)n1 ZINC001127576215 786034158 /nfs/dbraw/zinc/03/41/58/786034158.db2.gz LDBPYBABUGSQDY-UHFFFAOYSA-N 2 0 331.442 -1.191 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001127643558 786036693 /nfs/dbraw/zinc/03/66/93/786036693.db2.gz AMBKGFJQCHSIGT-FRRDWIJNSA-N 2 0 340.424 -1.458 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001127643559 786036666 /nfs/dbraw/zinc/03/66/66/786036666.db2.gz AMBKGFJQCHSIGT-JHJVBQTASA-N 2 0 340.424 -1.458 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001127643663 786036706 /nfs/dbraw/zinc/03/67/06/786036706.db2.gz FULANTMNCHVOBP-VXGBXAGGSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127659500 786037701 /nfs/dbraw/zinc/03/77/01/786037701.db2.gz DLDADZBQTPAAPS-JHJVBQTASA-N 2 0 341.456 -1.375 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127659504 786037573 /nfs/dbraw/zinc/03/75/73/786037573.db2.gz DLDADZBQTPAAPS-YNEHKIRRSA-N 2 0 341.456 -1.375 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1C ZINC001127660207 786037875 /nfs/dbraw/zinc/03/78/75/786037875.db2.gz RKHZESPASCOJDR-DGCLKSJQSA-N 2 0 337.424 -1.370 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC001127690567 786037970 /nfs/dbraw/zinc/03/79/70/786037970.db2.gz OTVGZBIZQWMKFI-VXGBXAGGSA-N 2 0 325.413 -2.009 20 0 EAADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC001127695444 786038079 /nfs/dbraw/zinc/03/80/79/786038079.db2.gz LIVBSDHQFLMJCL-QWHCGFSZSA-N 2 0 339.440 -1.619 20 0 EAADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001127700736 786038829 /nfs/dbraw/zinc/03/88/29/786038829.db2.gz COFYWSKDNDKXSD-NWDGAFQWSA-N 2 0 325.413 -1.026 20 0 EAADRP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760405 786072104 /nfs/dbraw/zinc/07/21/04/786072104.db2.gz JXUIGFYNHIDGHK-CHWSQXEVSA-N 2 0 333.454 -1.010 20 0 EAADRP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760406 786071889 /nfs/dbraw/zinc/07/18/89/786071889.db2.gz JXUIGFYNHIDGHK-OLZOCXBDSA-N 2 0 333.454 -1.010 20 0 EAADRP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760407 786071466 /nfs/dbraw/zinc/07/14/66/786071466.db2.gz JXUIGFYNHIDGHK-QWHCGFSZSA-N 2 0 333.454 -1.010 20 0 EAADRP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760408 786071480 /nfs/dbraw/zinc/07/14/80/786071480.db2.gz JXUIGFYNHIDGHK-STQMWFEESA-N 2 0 333.454 -1.010 20 0 EAADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127765974 786071856 /nfs/dbraw/zinc/07/18/56/786071856.db2.gz RPGJNUQRXYZJBX-CHWSQXEVSA-N 2 0 338.408 -1.296 20 0 EAADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127765975 786071707 /nfs/dbraw/zinc/07/17/07/786071707.db2.gz RPGJNUQRXYZJBX-OLZOCXBDSA-N 2 0 338.408 -1.296 20 0 EAADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127765976 786072302 /nfs/dbraw/zinc/07/23/02/786072302.db2.gz RPGJNUQRXYZJBX-QWHCGFSZSA-N 2 0 338.408 -1.296 20 0 EAADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127765977 786071518 /nfs/dbraw/zinc/07/15/18/786071518.db2.gz RPGJNUQRXYZJBX-STQMWFEESA-N 2 0 338.408 -1.296 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC001127778482 786074630 /nfs/dbraw/zinc/07/46/30/786074630.db2.gz GAUFHZWUJZZMIB-KBPBESRZSA-N 2 0 340.424 -1.586 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC001127778483 786073585 /nfs/dbraw/zinc/07/35/85/786073585.db2.gz GAUFHZWUJZZMIB-KGLIPLIRSA-N 2 0 340.424 -1.586 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC001127778484 786075264 /nfs/dbraw/zinc/07/52/64/786075264.db2.gz GAUFHZWUJZZMIB-UONOGXRCSA-N 2 0 340.424 -1.586 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC001127778485 786073998 /nfs/dbraw/zinc/07/39/98/786073998.db2.gz GAUFHZWUJZZMIB-ZIAGYGMSSA-N 2 0 340.424 -1.586 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779054 786073951 /nfs/dbraw/zinc/07/39/51/786073951.db2.gz IRHPWDDSHRYHLL-GHMZBOCLSA-N 2 0 327.385 -1.989 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779056 786075366 /nfs/dbraw/zinc/07/53/66/786075366.db2.gz IRHPWDDSHRYHLL-MNOVXSKESA-N 2 0 327.385 -1.989 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779059 786075018 /nfs/dbraw/zinc/07/50/18/786075018.db2.gz IRHPWDDSHRYHLL-QWRGUYRKSA-N 2 0 327.385 -1.989 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779061 786074040 /nfs/dbraw/zinc/07/40/40/786074040.db2.gz IRHPWDDSHRYHLL-WDEREUQCSA-N 2 0 327.385 -1.989 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cnccn1 ZINC001127779489 786073736 /nfs/dbraw/zinc/07/37/36/786073736.db2.gz MJEPLGLIGHLJNT-CHWSQXEVSA-N 2 0 348.407 -1.016 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cnccn1 ZINC001127779490 786074499 /nfs/dbraw/zinc/07/44/99/786074499.db2.gz MJEPLGLIGHLJNT-OLZOCXBDSA-N 2 0 348.407 -1.016 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cnccn1 ZINC001127779491 786075178 /nfs/dbraw/zinc/07/51/78/786075178.db2.gz MJEPLGLIGHLJNT-QWHCGFSZSA-N 2 0 348.407 -1.016 20 0 EAADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cnccn1 ZINC001127779492 786074125 /nfs/dbraw/zinc/07/41/25/786074125.db2.gz MJEPLGLIGHLJNT-STQMWFEESA-N 2 0 348.407 -1.016 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779862 786073522 /nfs/dbraw/zinc/07/35/22/786073522.db2.gz RUQMGNMFRIKTGN-NEPJUHHUSA-N 2 0 341.412 -1.599 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779863 786074382 /nfs/dbraw/zinc/07/43/82/786074382.db2.gz RUQMGNMFRIKTGN-NWDGAFQWSA-N 2 0 341.412 -1.599 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779864 786075291 /nfs/dbraw/zinc/07/52/91/786075291.db2.gz RUQMGNMFRIKTGN-RYUDHWBXSA-N 2 0 341.412 -1.599 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779865 786074340 /nfs/dbraw/zinc/07/43/40/786074340.db2.gz RUQMGNMFRIKTGN-VXGBXAGGSA-N 2 0 341.412 -1.599 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780352 786075151 /nfs/dbraw/zinc/07/51/51/786075151.db2.gz XWICSRCIWRFVRG-KBPBESRZSA-N 2 0 342.440 -1.292 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780354 786074982 /nfs/dbraw/zinc/07/49/82/786074982.db2.gz XWICSRCIWRFVRG-KGLIPLIRSA-N 2 0 342.440 -1.292 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780356 786075044 /nfs/dbraw/zinc/07/50/44/786075044.db2.gz XWICSRCIWRFVRG-UONOGXRCSA-N 2 0 342.440 -1.292 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780358 786074074 /nfs/dbraw/zinc/07/40/74/786074074.db2.gz XWICSRCIWRFVRG-ZIAGYGMSSA-N 2 0 342.440 -1.292 20 0 EAADRP CN(CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC001127780443 786074302 /nfs/dbraw/zinc/07/43/02/786074302.db2.gz YYPXTOOIQVWXPP-CHWSQXEVSA-N 2 0 348.469 -1.553 20 0 EAADRP CN(CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC001127780444 786074790 /nfs/dbraw/zinc/07/47/90/786074790.db2.gz YYPXTOOIQVWXPP-OLZOCXBDSA-N 2 0 348.469 -1.553 20 0 EAADRP CN(CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC001127780445 786074474 /nfs/dbraw/zinc/07/44/74/786074474.db2.gz YYPXTOOIQVWXPP-QWHCGFSZSA-N 2 0 348.469 -1.553 20 0 EAADRP CN(CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC001127780446 786075234 /nfs/dbraw/zinc/07/52/34/786075234.db2.gz YYPXTOOIQVWXPP-STQMWFEESA-N 2 0 348.469 -1.553 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780556 786074919 /nfs/dbraw/zinc/07/49/19/786074919.db2.gz ZXHWZIWLFBZQIA-KBPBESRZSA-N 2 0 342.440 -1.292 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780558 786074273 /nfs/dbraw/zinc/07/42/73/786074273.db2.gz ZXHWZIWLFBZQIA-KGLIPLIRSA-N 2 0 342.440 -1.292 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780560 786074694 /nfs/dbraw/zinc/07/46/94/786074694.db2.gz ZXHWZIWLFBZQIA-UONOGXRCSA-N 2 0 342.440 -1.292 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780562 786075320 /nfs/dbraw/zinc/07/53/20/786075320.db2.gz ZXHWZIWLFBZQIA-ZIAGYGMSSA-N 2 0 342.440 -1.292 20 0 EAADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784986 786073863 /nfs/dbraw/zinc/07/38/63/786073863.db2.gz CYRBLRNNKLEYLH-CHWSQXEVSA-N 2 0 348.469 -1.505 20 0 EAADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784987 786074854 /nfs/dbraw/zinc/07/48/54/786074854.db2.gz CYRBLRNNKLEYLH-OLZOCXBDSA-N 2 0 348.469 -1.505 20 0 EAADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784988 786074092 /nfs/dbraw/zinc/07/40/92/786074092.db2.gz CYRBLRNNKLEYLH-QWHCGFSZSA-N 2 0 348.469 -1.505 20 0 EAADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784989 786074585 /nfs/dbraw/zinc/07/45/85/786074585.db2.gz CYRBLRNNKLEYLH-STQMWFEESA-N 2 0 348.469 -1.505 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785005 786074756 /nfs/dbraw/zinc/07/47/56/786074756.db2.gz DMDIAIMJBZMKIV-CABCVRRESA-N 2 0 342.440 -1.292 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785006 786074613 /nfs/dbraw/zinc/07/46/13/786074613.db2.gz DMDIAIMJBZMKIV-GJZGRUSLSA-N 2 0 342.440 -1.292 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785007 786074220 /nfs/dbraw/zinc/07/42/20/786074220.db2.gz DMDIAIMJBZMKIV-HUUCEWRRSA-N 2 0 342.440 -1.292 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785008 786074733 /nfs/dbraw/zinc/07/47/33/786074733.db2.gz DMDIAIMJBZMKIV-LSDHHAIUSA-N 2 0 342.440 -1.292 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785035 786075088 /nfs/dbraw/zinc/07/50/88/786075088.db2.gz FATNERAVJBXAQU-NEPJUHHUSA-N 2 0 334.442 -1.895 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785037 786074815 /nfs/dbraw/zinc/07/48/15/786074815.db2.gz FATNERAVJBXAQU-NWDGAFQWSA-N 2 0 334.442 -1.895 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785038 786074953 /nfs/dbraw/zinc/07/49/53/786074953.db2.gz FATNERAVJBXAQU-RYUDHWBXSA-N 2 0 334.442 -1.895 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785040 786073799 /nfs/dbraw/zinc/07/37/99/786073799.db2.gz FATNERAVJBXAQU-VXGBXAGGSA-N 2 0 334.442 -1.895 20 0 EAADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785374 786074521 /nfs/dbraw/zinc/07/45/21/786074521.db2.gz JROMPSVAEYGVPK-NEPJUHHUSA-N 2 0 339.396 -1.893 20 0 EAADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785375 786074187 /nfs/dbraw/zinc/07/41/87/786074187.db2.gz JROMPSVAEYGVPK-NWDGAFQWSA-N 2 0 339.396 -1.893 20 0 EAADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785376 786074537 /nfs/dbraw/zinc/07/45/37/786074537.db2.gz JROMPSVAEYGVPK-RYUDHWBXSA-N 2 0 339.396 -1.893 20 0 EAADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785377 786074433 /nfs/dbraw/zinc/07/44/33/786074433.db2.gz JROMPSVAEYGVPK-VXGBXAGGSA-N 2 0 339.396 -1.893 20 0 EAADRP O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786310 786075111 /nfs/dbraw/zinc/07/51/11/786075111.db2.gz YAELWRKPVZYWGC-CHWSQXEVSA-N 2 0 325.413 -1.419 20 0 EAADRP O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786312 786074772 /nfs/dbraw/zinc/07/47/72/786074772.db2.gz YAELWRKPVZYWGC-OLZOCXBDSA-N 2 0 325.413 -1.419 20 0 EAADRP O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786313 786073895 /nfs/dbraw/zinc/07/38/95/786073895.db2.gz YAELWRKPVZYWGC-QWHCGFSZSA-N 2 0 325.413 -1.419 20 0 EAADRP O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786315 786073937 /nfs/dbraw/zinc/07/39/37/786073937.db2.gz YAELWRKPVZYWGC-STQMWFEESA-N 2 0 325.413 -1.419 20 0 EAADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001128533300 786190340 /nfs/dbraw/zinc/19/03/40/786190340.db2.gz KXBYMWHIZPKOLP-GFCCVEGCSA-N 2 0 345.419 -1.670 20 0 EAADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001128533303 786190430 /nfs/dbraw/zinc/19/04/30/786190430.db2.gz KXBYMWHIZPKOLP-LBPRGKRZSA-N 2 0 345.419 -1.670 20 0 EAADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001128539715 786191210 /nfs/dbraw/zinc/19/12/10/786191210.db2.gz IKEQAORKDVANMY-LLVKDONJSA-N 2 0 326.438 -1.079 20 0 EAADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001128539716 786191032 /nfs/dbraw/zinc/19/10/32/786191032.db2.gz IKEQAORKDVANMY-NSHDSACASA-N 2 0 326.438 -1.079 20 0 EAADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128540345 786190655 /nfs/dbraw/zinc/19/06/55/786190655.db2.gz USOQNEHXARBHEY-LLVKDONJSA-N 2 0 331.392 -1.076 20 0 EAADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128540351 786191051 /nfs/dbraw/zinc/19/10/51/786191051.db2.gz USOQNEHXARBHEY-NSHDSACASA-N 2 0 331.392 -1.076 20 0 EAADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001128774909 786216765 /nfs/dbraw/zinc/21/67/65/786216765.db2.gz YYKZLGKQIGPETB-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001128774910 786216272 /nfs/dbraw/zinc/21/62/72/786216272.db2.gz YYKZLGKQIGPETB-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228590 786262587 /nfs/dbraw/zinc/26/25/87/786262587.db2.gz YVNPTEXRDOMLMA-MCIONIFRSA-N 2 0 340.428 -1.421 20 0 EAADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228591 786262761 /nfs/dbraw/zinc/26/27/61/786262761.db2.gz YVNPTEXRDOMLMA-MJBXVCDLSA-N 2 0 340.428 -1.421 20 0 EAADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCC1 ZINC001129358471 786571079 /nfs/dbraw/zinc/57/10/79/786571079.db2.gz RYKNXKCBLBNDIC-UHFFFAOYSA-N 2 0 325.413 -1.865 20 0 EAADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CCC1 ZINC001129363508 786573907 /nfs/dbraw/zinc/57/39/07/786573907.db2.gz IHQXKMWYWLMGQF-GFCCVEGCSA-N 2 0 340.424 -1.314 20 0 EAADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CCC1 ZINC001129363509 786574196 /nfs/dbraw/zinc/57/41/96/786574196.db2.gz IHQXKMWYWLMGQF-LBPRGKRZSA-N 2 0 340.424 -1.314 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363957 786573840 /nfs/dbraw/zinc/57/38/40/786573840.db2.gz NRELVCBEFSCFSY-GFCCVEGCSA-N 2 0 341.412 -1.470 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363959 786574032 /nfs/dbraw/zinc/57/40/32/786574032.db2.gz NRELVCBEFSCFSY-LBPRGKRZSA-N 2 0 341.412 -1.470 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)cc(=O)n(C)c1=O ZINC001129364810 786575014 /nfs/dbraw/zinc/57/50/14/786575014.db2.gz ZIDVCQZVIWCCJQ-UHFFFAOYSA-N 2 0 337.424 -1.226 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001129380469 786588371 /nfs/dbraw/zinc/58/83/71/786588371.db2.gz ISFOGARZMUYQGV-GFCCVEGCSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001129380477 786588415 /nfs/dbraw/zinc/58/84/15/786588415.db2.gz ISFOGARZMUYQGV-LBPRGKRZSA-N 2 0 341.456 -1.231 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129385360 786595993 /nfs/dbraw/zinc/59/59/93/786595993.db2.gz LAUBQWLXXVKNPE-KGLIPLIRSA-N 2 0 340.428 -1.420 20 0 EAADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385854 786594607 /nfs/dbraw/zinc/59/46/07/786594607.db2.gz SKRRHKJBSKZKQA-MCIONIFRSA-N 2 0 340.428 -1.421 20 0 EAADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385856 786595839 /nfs/dbraw/zinc/59/58/39/786595839.db2.gz SKRRHKJBSKZKQA-MJBXVCDLSA-N 2 0 340.428 -1.421 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001129435254 786840089 /nfs/dbraw/zinc/84/00/89/786840089.db2.gz DBVYNYAJEICGJB-AWEZNQCLSA-N 2 0 325.413 -2.009 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001129435255 786842003 /nfs/dbraw/zinc/84/20/03/786842003.db2.gz DBVYNYAJEICGJB-CQSZACIVSA-N 2 0 325.413 -2.009 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC001129442509 786843376 /nfs/dbraw/zinc/84/33/76/786843376.db2.gz BPRYIROYIMAAMU-CYBMUJFWSA-N 2 0 325.413 -1.026 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC001129442510 786843706 /nfs/dbraw/zinc/84/37/06/786843706.db2.gz BPRYIROYIMAAMU-ZDUSSCGKSA-N 2 0 325.413 -1.026 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001129442518 786842579 /nfs/dbraw/zinc/84/25/79/786842579.db2.gz BVDGWYHTHGBEFM-DOMZBBRYSA-N 2 0 340.424 -1.458 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001129442519 786843082 /nfs/dbraw/zinc/84/30/82/786843082.db2.gz BVDGWYHTHGBEFM-IUODEOHRSA-N 2 0 340.424 -1.458 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001129442520 786844151 /nfs/dbraw/zinc/84/41/51/786844151.db2.gz BVDGWYHTHGBEFM-SWLSCSKDSA-N 2 0 340.424 -1.458 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001129442521 786843098 /nfs/dbraw/zinc/84/30/98/786843098.db2.gz BVDGWYHTHGBEFM-WFASDCNBSA-N 2 0 340.424 -1.458 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)cc(=O)n(C)c1=O ZINC001129454528 786841878 /nfs/dbraw/zinc/84/18/78/786841878.db2.gz KSQAEZQKHALBDJ-AWEZNQCLSA-N 2 0 337.424 -1.370 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)cc(=O)n(C)c1=O ZINC001129454529 786840954 /nfs/dbraw/zinc/84/09/54/786840954.db2.gz KSQAEZQKHALBDJ-CQSZACIVSA-N 2 0 337.424 -1.370 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001129455340 786841173 /nfs/dbraw/zinc/84/11/73/786841173.db2.gz TYTGJOCMGASNEU-BXUZGUMPSA-N 2 0 341.456 -1.375 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001129455341 786841195 /nfs/dbraw/zinc/84/11/95/786841195.db2.gz TYTGJOCMGASNEU-FZMZJTMJSA-N 2 0 341.456 -1.375 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001129455342 786842166 /nfs/dbraw/zinc/84/21/66/786842166.db2.gz TYTGJOCMGASNEU-RISCZKNCSA-N 2 0 341.456 -1.375 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)N(C)C ZINC001129455343 786842047 /nfs/dbraw/zinc/84/20/47/786842047.db2.gz TYTGJOCMGASNEU-SMDDNHRTSA-N 2 0 341.456 -1.375 20 0 EAADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CCC1 ZINC001129531606 786846677 /nfs/dbraw/zinc/84/66/77/786846677.db2.gz BEIVBVRCAOKKTF-UHFFFAOYSA-N 2 0 325.413 -1.865 20 0 EAADRP C[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CCC1 ZINC001129535103 786850533 /nfs/dbraw/zinc/85/05/33/786850533.db2.gz JHUQAXNHCBJOSQ-CYBMUJFWSA-N 2 0 340.424 -1.314 20 0 EAADRP C[N@H+](CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CCC1 ZINC001129535104 786850378 /nfs/dbraw/zinc/85/03/78/786850378.db2.gz JHUQAXNHCBJOSQ-ZDUSSCGKSA-N 2 0 340.424 -1.314 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)cc(=O)n(C)c1=O ZINC001129535403 786850348 /nfs/dbraw/zinc/85/03/48/786850348.db2.gz PXCDNQSXHUOOLO-UHFFFAOYSA-N 2 0 337.424 -1.226 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)N(C)C ZINC001129535667 786850576 /nfs/dbraw/zinc/85/05/76/786850576.db2.gz XRXQPXMSAOMRJM-GFCCVEGCSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)N(C)C ZINC001129535668 786850689 /nfs/dbraw/zinc/85/06/89/786850689.db2.gz XRXQPXMSAOMRJM-LBPRGKRZSA-N 2 0 341.456 -1.231 20 0 EAADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129683816 786863093 /nfs/dbraw/zinc/86/30/93/786863093.db2.gz BKWVRFJMCOQBQB-MCIONIFRSA-N 2 0 349.439 -1.198 20 0 EAADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129683819 786863250 /nfs/dbraw/zinc/86/32/50/786863250.db2.gz BKWVRFJMCOQBQB-RDBSUJKOSA-N 2 0 349.439 -1.198 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685366 786861549 /nfs/dbraw/zinc/86/15/49/786861549.db2.gz REHJGXTUKWWBNV-AGIUHOORSA-N 2 0 335.412 -1.540 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685369 786863380 /nfs/dbraw/zinc/86/33/80/786863380.db2.gz REHJGXTUKWWBNV-UPJWGTAASA-N 2 0 335.412 -1.540 20 0 EAADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686037 786862039 /nfs/dbraw/zinc/86/20/39/786862039.db2.gz VTEPEQFTUDZBOL-MCIONIFRSA-N 2 0 349.439 -1.150 20 0 EAADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686048 786861230 /nfs/dbraw/zinc/86/12/30/786861230.db2.gz VTEPEQFTUDZBOL-RDBSUJKOSA-N 2 0 349.439 -1.150 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855560 786877544 /nfs/dbraw/zinc/87/75/44/786877544.db2.gz MVNFMLKVMYBHOL-SYQHCUMBSA-N 2 0 349.439 -1.294 20 0 EAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129856738 786879932 /nfs/dbraw/zinc/87/99/32/786879932.db2.gz WRSHKYDNLPRJDR-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129856742 786879994 /nfs/dbraw/zinc/87/99/94/786879994.db2.gz WRSHKYDNLPRJDR-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129891998 786880694 /nfs/dbraw/zinc/88/06/94/786880694.db2.gz CEIKCFIQHWTNQA-IPYPFGDCSA-N 2 0 349.439 -1.294 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129891999 786882248 /nfs/dbraw/zinc/88/22/48/786882248.db2.gz CEIKCFIQHWTNQA-VNHYZAJKSA-N 2 0 349.439 -1.294 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894567 786886581 /nfs/dbraw/zinc/88/65/81/786886581.db2.gz JVBOZYUIBCRBJS-OLZOCXBDSA-N 2 0 349.439 -1.150 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894784 786885979 /nfs/dbraw/zinc/88/59/79/786885979.db2.gz SGUKOHBMQHCAJK-KGLIPLIRSA-N 2 0 349.439 -1.150 20 0 EAADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910168 786883373 /nfs/dbraw/zinc/88/33/73/786883373.db2.gz GRCASZKSOKXDFG-UPJWGTAASA-N 2 0 337.428 -1.294 20 0 EAADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129919402 786888071 /nfs/dbraw/zinc/88/80/71/786888071.db2.gz WHCUMELOANJIHV-NEPJUHHUSA-N 2 0 337.428 -1.165 20 0 EAADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001129947021 786892736 /nfs/dbraw/zinc/89/27/36/786892736.db2.gz FYZNUFHQEFNJCG-AWEZNQCLSA-N 2 0 327.429 -1.763 20 0 EAADRP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001129949298 786887560 /nfs/dbraw/zinc/88/75/60/786887560.db2.gz ATCNNQMVXKUPOQ-AWEZNQCLSA-N 2 0 339.440 -1.124 20 0 EAADRP CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001129950480 786887075 /nfs/dbraw/zinc/88/70/75/786887075.db2.gz VLNAAOXKYLOKCA-DOMZBBRYSA-N 2 0 342.440 -1.212 20 0 EAADRP CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001129950483 786887666 /nfs/dbraw/zinc/88/76/66/786887666.db2.gz VLNAAOXKYLOKCA-WFASDCNBSA-N 2 0 342.440 -1.212 20 0 EAADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001129953451 786888375 /nfs/dbraw/zinc/88/83/75/786888375.db2.gz IRQPNXVYFJNHPE-JSGCOSHPSA-N 2 0 343.472 -1.129 20 0 EAADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001129953452 786888869 /nfs/dbraw/zinc/88/88/69/786888869.db2.gz IRQPNXVYFJNHPE-OCCSQVGLSA-N 2 0 343.472 -1.129 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982706 786894348 /nfs/dbraw/zinc/89/43/48/786894348.db2.gz IQSGFVQPQDEAJK-OLZOCXBDSA-N 2 0 349.439 -1.293 20 0 EAADRP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129982883 786894862 /nfs/dbraw/zinc/89/48/62/786894862.db2.gz JLRGQLVLIUHGIG-NEPJUHHUSA-N 2 0 335.412 -1.553 20 0 EAADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001129982943 786893289 /nfs/dbraw/zinc/89/32/89/786893289.db2.gz KMGKVQGJQWSHHT-UPJWGTAASA-N 2 0 349.439 -1.165 20 0 EAADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001129982944 786893762 /nfs/dbraw/zinc/89/37/62/786893762.db2.gz KMGKVQGJQWSHHT-XQQFMLRXSA-N 2 0 349.439 -1.165 20 0 EAADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129983354 786893552 /nfs/dbraw/zinc/89/35/52/786893552.db2.gz YSCRIVVVWAUWBS-UPJWGTAASA-N 2 0 337.428 -1.165 20 0 EAADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129983355 786894189 /nfs/dbraw/zinc/89/41/89/786894189.db2.gz YSCRIVVVWAUWBS-XQQFMLRXSA-N 2 0 337.428 -1.165 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985128 786893050 /nfs/dbraw/zinc/89/30/50/786893050.db2.gz POJQNEOSNINRRB-OLZOCXBDSA-N 2 0 337.428 -1.293 20 0 EAADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129985175 786893004 /nfs/dbraw/zinc/89/30/04/786893004.db2.gz RJSYFSLEPMSSJK-MCIONIFRSA-N 2 0 349.439 -1.150 20 0 EAADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129985176 786893448 /nfs/dbraw/zinc/89/34/48/786893448.db2.gz RJSYFSLEPMSSJK-MJBXVCDLSA-N 2 0 349.439 -1.150 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129987970 786895942 /nfs/dbraw/zinc/89/59/42/786895942.db2.gz AYXOLMOCSQNDFG-KGLIPLIRSA-N 2 0 349.439 -1.293 20 0 EAADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991916 786895478 /nfs/dbraw/zinc/89/54/78/786895478.db2.gz CGZZJGCSDZGRRX-MCIONIFRSA-N 2 0 340.428 -1.421 20 0 EAADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991917 786896555 /nfs/dbraw/zinc/89/65/55/786896555.db2.gz CGZZJGCSDZGRRX-MJBXVCDLSA-N 2 0 340.428 -1.421 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129991950 786895861 /nfs/dbraw/zinc/89/58/61/786895861.db2.gz DTRYEDMQSMSZFZ-MCIONIFRSA-N 2 0 349.439 -1.150 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129991951 786896769 /nfs/dbraw/zinc/89/67/69/786896769.db2.gz DTRYEDMQSMSZFZ-MJBXVCDLSA-N 2 0 349.439 -1.150 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129991984 786895505 /nfs/dbraw/zinc/89/55/05/786895505.db2.gz GIBLXCHTIHYHFR-UPJWGTAASA-N 2 0 335.412 -1.540 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129991985 786896690 /nfs/dbraw/zinc/89/66/90/786896690.db2.gz GIBLXCHTIHYHFR-XQQFMLRXSA-N 2 0 335.412 -1.540 20 0 EAADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992068 786896039 /nfs/dbraw/zinc/89/60/39/786896039.db2.gz KCMWJIARNSXWHU-UPJWGTAASA-N 2 0 337.428 -1.294 20 0 EAADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992069 786896313 /nfs/dbraw/zinc/89/63/13/786896313.db2.gz KCMWJIARNSXWHU-XQQFMLRXSA-N 2 0 337.428 -1.294 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001129992128 786897745 /nfs/dbraw/zinc/89/77/45/786897745.db2.gz MDCHSVQTKJFWEK-KGLIPLIRSA-N 2 0 349.439 -1.196 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129992159 786897650 /nfs/dbraw/zinc/89/76/50/786897650.db2.gz NTHSPCXSDGYZJO-KGLIPLIRSA-N 2 0 340.428 -1.420 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129992237 786898575 /nfs/dbraw/zinc/89/85/75/786898575.db2.gz UFZDXAMQVUTIHE-KGLIPLIRSA-N 2 0 349.439 -1.150 20 0 EAADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992295 786898413 /nfs/dbraw/zinc/89/84/13/786898413.db2.gz WZCHWROYGPLRPC-OLZOCXBDSA-N 2 0 337.428 -1.341 20 0 EAADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992344 786898520 /nfs/dbraw/zinc/89/85/20/786898520.db2.gz ZLBSMQCEEDLRRX-OLZOCXBDSA-N 2 0 337.428 -1.293 20 0 EAADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129994208 786894332 /nfs/dbraw/zinc/89/43/32/786894332.db2.gz BMKNBDHJCQDUMX-UPJWGTAASA-N 2 0 337.428 -1.165 20 0 EAADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129994209 786894773 /nfs/dbraw/zinc/89/47/73/786894773.db2.gz BMKNBDHJCQDUMX-XQQFMLRXSA-N 2 0 337.428 -1.165 20 0 EAADRP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)C1=O ZINC001129994549 786893070 /nfs/dbraw/zinc/89/30/70/786893070.db2.gz UGZJQCYUMDLCHN-MCIONIFRSA-N 2 0 349.439 -1.198 20 0 EAADRP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)C1=O ZINC001129994550 786894556 /nfs/dbraw/zinc/89/45/56/786894556.db2.gz UGZJQCYUMDLCHN-MJBXVCDLSA-N 2 0 349.439 -1.198 20 0 EAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129994645 786893404 /nfs/dbraw/zinc/89/34/04/786893404.db2.gz ZDOOGQGFFHDIMW-KGLIPLIRSA-N 2 0 347.427 -1.137 20 0 EAADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130007265 786897383 /nfs/dbraw/zinc/89/73/83/786897383.db2.gz GRCASZKSOKXDFG-AGIUHOORSA-N 2 0 337.428 -1.294 20 0 EAADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130047479 786903805 /nfs/dbraw/zinc/90/38/05/786903805.db2.gz CXTLXJZIHXFDON-UPJWGTAASA-N 2 0 337.428 -1.165 20 0 EAADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130047480 786903491 /nfs/dbraw/zinc/90/34/91/786903491.db2.gz CXTLXJZIHXFDON-XQQFMLRXSA-N 2 0 337.428 -1.165 20 0 EAADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130047481 786903028 /nfs/dbraw/zinc/90/30/28/786903028.db2.gz DAKVZHLXFCNDDH-OLZOCXBDSA-N 2 0 337.428 -1.293 20 0 EAADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130047840 786904052 /nfs/dbraw/zinc/90/40/52/786904052.db2.gz WEFGLTSUJLDADR-MCIONIFRSA-N 2 0 349.439 -1.150 20 0 EAADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130047841 786903288 /nfs/dbraw/zinc/90/32/88/786903288.db2.gz WEFGLTSUJLDADR-MJBXVCDLSA-N 2 0 349.439 -1.150 20 0 EAADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130075649 786906979 /nfs/dbraw/zinc/90/69/79/786906979.db2.gz YWUHCVAMCWOMKX-UPJWGTAASA-N 2 0 337.428 -1.165 20 0 EAADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130075650 786907717 /nfs/dbraw/zinc/90/77/17/786907717.db2.gz YWUHCVAMCWOMKX-XQQFMLRXSA-N 2 0 337.428 -1.165 20 0 EAADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130079255 786907650 /nfs/dbraw/zinc/90/76/50/786907650.db2.gz AILZNNRNOLLUBQ-OLZOCXBDSA-N 2 0 337.428 -1.293 20 0 EAADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130081568 786905853 /nfs/dbraw/zinc/90/58/53/786905853.db2.gz WCQITOALZBUMGE-MCIONIFRSA-N 2 0 349.439 -1.150 20 0 EAADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130081569 786906089 /nfs/dbraw/zinc/90/60/89/786906089.db2.gz WCQITOALZBUMGE-MJBXVCDLSA-N 2 0 349.439 -1.150 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085905 786905449 /nfs/dbraw/zinc/90/54/49/786905449.db2.gz CTXGHEJQCJTMNE-MCIONIFRSA-N 2 0 349.439 -1.293 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085906 786904663 /nfs/dbraw/zinc/90/46/63/786904663.db2.gz CTXGHEJQCJTMNE-MJBXVCDLSA-N 2 0 349.439 -1.293 20 0 EAADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085910 786904966 /nfs/dbraw/zinc/90/49/66/786904966.db2.gz CYHZGNLXMJJLST-MCIONIFRSA-N 2 0 340.428 -1.421 20 0 EAADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085911 786904738 /nfs/dbraw/zinc/90/47/38/786904738.db2.gz CYHZGNLXMJJLST-MJBXVCDLSA-N 2 0 340.428 -1.421 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130085951 786905362 /nfs/dbraw/zinc/90/53/62/786905362.db2.gz FNHQCAGMZRNYSP-NEPJUHHUSA-N 2 0 339.400 -2.317 20 0 EAADRP COCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086103 786906153 /nfs/dbraw/zinc/90/61/53/786906153.db2.gz LOBJHFSJQWCCKN-KGLIPLIRSA-N 2 0 340.428 -1.156 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130086123 786904783 /nfs/dbraw/zinc/90/47/83/786904783.db2.gz MFGAGOCOOTUEDT-KGLIPLIRSA-N 2 0 340.428 -1.420 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130086242 786905294 /nfs/dbraw/zinc/90/52/94/786905294.db2.gz RNVXXQFJIRITGB-OLZOCXBDSA-N 2 0 326.401 -1.810 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091253 786907603 /nfs/dbraw/zinc/90/76/03/786907603.db2.gz IIKZCTMBKVGHIP-OLZOCXBDSA-N 2 0 347.423 -1.539 20 0 EAADRP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130094409 786906889 /nfs/dbraw/zinc/90/68/89/786906889.db2.gz JRDQJGNAZKOVSJ-OLZOCXBDSA-N 2 0 337.428 -1.163 20 0 EAADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130097051 786907474 /nfs/dbraw/zinc/90/74/74/786907474.db2.gz ZOTXFDRYACPHHD-OLZOCXBDSA-N 2 0 337.428 -1.163 20 0 EAADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107160 786907840 /nfs/dbraw/zinc/90/78/40/786907840.db2.gz GMVIZOHQPZQQRO-UPJWGTAASA-N 2 0 337.428 -1.165 20 0 EAADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107161 786907084 /nfs/dbraw/zinc/90/70/84/786907084.db2.gz GMVIZOHQPZQQRO-XQQFMLRXSA-N 2 0 337.428 -1.165 20 0 EAADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130107210 786907053 /nfs/dbraw/zinc/90/70/53/786907053.db2.gz JLFUMCUGLNRUEW-MCIONIFRSA-N 2 0 349.439 -1.150 20 0 EAADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130107211 786906949 /nfs/dbraw/zinc/90/69/49/786906949.db2.gz JLFUMCUGLNRUEW-MJBXVCDLSA-N 2 0 349.439 -1.150 20 0 EAADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130107428 786908339 /nfs/dbraw/zinc/90/83/39/786908339.db2.gz PWJWHQXOXLKFMQ-OLZOCXBDSA-N 2 0 337.428 -1.293 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122940 786909595 /nfs/dbraw/zinc/90/95/95/786909595.db2.gz CNKFCYFONQXHCB-UPJWGTAASA-N 2 0 335.412 -1.683 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122941 786909352 /nfs/dbraw/zinc/90/93/52/786909352.db2.gz CNKFCYFONQXHCB-XQQFMLRXSA-N 2 0 335.412 -1.683 20 0 EAADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122988 786910208 /nfs/dbraw/zinc/91/02/08/786910208.db2.gz GAHGXLQFSISPFA-MCIONIFRSA-N 2 0 349.439 -1.341 20 0 EAADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122989 786909390 /nfs/dbraw/zinc/90/93/90/786909390.db2.gz GAHGXLQFSISPFA-MJBXVCDLSA-N 2 0 349.439 -1.341 20 0 EAADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123169 786909449 /nfs/dbraw/zinc/90/94/49/786909449.db2.gz JSJKHHYKGIPCNC-MCIONIFRSA-N 2 0 349.439 -1.293 20 0 EAADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123170 786909828 /nfs/dbraw/zinc/90/98/28/786909828.db2.gz JSJKHHYKGIPCNC-MJBXVCDLSA-N 2 0 349.439 -1.293 20 0 EAADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125293 786909994 /nfs/dbraw/zinc/90/99/94/786909994.db2.gz GNALSROEUBSUGR-KGLIPLIRSA-N 2 0 349.439 -1.149 20 0 EAADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125317 786910016 /nfs/dbraw/zinc/91/00/16/786910016.db2.gz HBYZZSLAIUISDO-KGLIPLIRSA-N 2 0 349.439 -1.196 20 0 EAADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125531 786908818 /nfs/dbraw/zinc/90/88/18/786908818.db2.gz RYUXBRUXALKIKU-MCIONIFRSA-N 2 0 349.439 -1.150 20 0 EAADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125532 786910183 /nfs/dbraw/zinc/91/01/83/786910183.db2.gz RYUXBRUXALKIKU-MJBXVCDLSA-N 2 0 349.439 -1.150 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125672 786909814 /nfs/dbraw/zinc/90/98/14/786909814.db2.gz ZRYBWXCYHQFTHS-OLZOCXBDSA-N 2 0 335.412 -1.539 20 0 EAADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137036 786910785 /nfs/dbraw/zinc/91/07/85/786910785.db2.gz GDMFSQIEYZDXHQ-OLZOCXBDSA-N 2 0 337.428 -1.294 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130137100 786911467 /nfs/dbraw/zinc/91/14/67/786911467.db2.gz ITUXDHAMRKKVRG-MCIONIFRSA-N 2 0 349.439 -1.152 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130137101 786910890 /nfs/dbraw/zinc/91/08/90/786910890.db2.gz ITUXDHAMRKKVRG-MJBXVCDLSA-N 2 0 349.439 -1.152 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130137344 786911961 /nfs/dbraw/zinc/91/19/61/786911961.db2.gz UQEZSCRIXYIPKH-UPJWGTAASA-N 2 0 337.428 -1.166 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130137345 786911344 /nfs/dbraw/zinc/91/13/44/786911344.db2.gz UQEZSCRIXYIPKH-XQQFMLRXSA-N 2 0 337.428 -1.166 20 0 EAADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130139755 786910704 /nfs/dbraw/zinc/91/07/04/786910704.db2.gz HGYHJMSEAPBQKN-KGLIPLIRSA-N 2 0 349.439 -1.019 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001130200059 786919431 /nfs/dbraw/zinc/91/94/31/786919431.db2.gz CTCRDDAOIYIYFZ-NWDGAFQWSA-N 2 0 329.445 -1.375 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001130200060 786919414 /nfs/dbraw/zinc/91/94/14/786919414.db2.gz CTCRDDAOIYIYFZ-VXGBXAGGSA-N 2 0 329.445 -1.375 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC)[NH+](C)C ZINC001130200169 786918603 /nfs/dbraw/zinc/91/86/03/786918603.db2.gz FMVCCWFADVZMAX-NWDGAFQWSA-N 2 0 345.444 -1.107 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC)[NH+](C)C ZINC001130200171 786918864 /nfs/dbraw/zinc/91/88/64/786918864.db2.gz FMVCCWFADVZMAX-VXGBXAGGSA-N 2 0 345.444 -1.107 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001130200459 786918641 /nfs/dbraw/zinc/91/86/41/786918641.db2.gz JQCIHYCIWVHJFR-CHWSQXEVSA-N 2 0 341.456 -1.244 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001130200460 786918937 /nfs/dbraw/zinc/91/89/37/786918937.db2.gz JQCIHYCIWVHJFR-QWHCGFSZSA-N 2 0 341.456 -1.244 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1)[NH+](C)C ZINC001130200635 786918001 /nfs/dbraw/zinc/91/80/01/786918001.db2.gz LYIQKSBNZANFHC-CYBMUJFWSA-N 2 0 341.456 -1.229 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1)[NH+](C)C ZINC001130200647 786918033 /nfs/dbraw/zinc/91/80/33/786918033.db2.gz MFNIOIFOHXEVPP-CQSZACIVSA-N 2 0 341.456 -1.277 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001130201010 786918613 /nfs/dbraw/zinc/91/86/13/786918613.db2.gz SGVLHDUBNNZERI-GFCCVEGCSA-N 2 0 325.413 -1.370 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001130205765 786918882 /nfs/dbraw/zinc/91/88/82/786918882.db2.gz VVPQODHXQLBXTJ-NWDGAFQWSA-N 2 0 328.413 -1.458 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001130205766 786917916 /nfs/dbraw/zinc/91/79/16/786917916.db2.gz VVPQODHXQLBXTJ-VXGBXAGGSA-N 2 0 328.413 -1.458 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)[NH+](C)C ZINC001130205781 786919403 /nfs/dbraw/zinc/91/94/03/786919403.db2.gz WKNLPGRAJILTQA-CYBMUJFWSA-N 2 0 341.456 -1.244 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130230610 786921418 /nfs/dbraw/zinc/92/14/18/786921418.db2.gz PJOYQCVCYKFXRD-UHFFFAOYSA-N 2 0 329.401 -1.755 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230632 786919800 /nfs/dbraw/zinc/91/98/00/786919800.db2.gz QEZOKDDFWWSESH-UHFFFAOYSA-N 2 0 343.428 -1.494 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001130231906 786920815 /nfs/dbraw/zinc/92/08/15/786920815.db2.gz JBZKWAWOAHQCQV-GFCCVEGCSA-N 2 0 340.424 -1.144 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001130231908 786921035 /nfs/dbraw/zinc/92/10/35/786921035.db2.gz JBZKWAWOAHQCQV-LBPRGKRZSA-N 2 0 340.424 -1.144 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001130232560 786920646 /nfs/dbraw/zinc/92/06/46/786920646.db2.gz VJSUOXMQIYBQGD-LLVKDONJSA-N 2 0 343.428 -1.366 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001130232561 786920633 /nfs/dbraw/zinc/92/06/33/786920633.db2.gz VJSUOXMQIYBQGD-NSHDSACASA-N 2 0 343.428 -1.366 20 0 EAADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130234614 786921294 /nfs/dbraw/zinc/92/12/94/786921294.db2.gz DVHDGIIZKNCHNO-RYUDHWBXSA-N 2 0 340.428 -1.173 20 0 EAADRP O=C(C[NH2+]CCNC(=O)c1cc2c[nH]ccc-2n1)N1CCNC(=O)C1 ZINC001130265998 786924753 /nfs/dbraw/zinc/92/47/53/786924753.db2.gz HOHGPRTYEVCCBX-UHFFFAOYSA-N 2 0 344.375 -1.159 20 0 EAADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130419012 786946901 /nfs/dbraw/zinc/94/69/01/786946901.db2.gz HNLCEBCVLJECNV-UHFFFAOYSA-N 2 0 327.429 -1.619 20 0 EAADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001130427985 786943442 /nfs/dbraw/zinc/94/34/42/786943442.db2.gz XPNREKYGLKLAAO-GFCCVEGCSA-N 2 0 342.440 -1.068 20 0 EAADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001130427986 786943549 /nfs/dbraw/zinc/94/35/49/786943549.db2.gz XPNREKYGLKLAAO-LBPRGKRZSA-N 2 0 342.440 -1.068 20 0 EAADRP Cn1cnc([C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2[NH2+]CCO)c1 ZINC001130712840 786972347 /nfs/dbraw/zinc/97/23/47/786972347.db2.gz OIPKLPXXNIBWQQ-DZGCQCFKSA-N 2 0 339.440 -1.125 20 0 EAADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)N1CCNC(=O)C1 ZINC001130805598 786979809 /nfs/dbraw/zinc/97/98/09/786979809.db2.gz CCYJLKBEUBZEJQ-UHFFFAOYSA-N 2 0 337.424 -1.721 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)cc(=O)n(C)c1=O ZINC001130810553 786981358 /nfs/dbraw/zinc/98/13/58/786981358.db2.gz WATRZKYXIHQEKP-UHFFFAOYSA-N 2 0 349.435 -1.082 20 0 EAADRP O=C(C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)N1CCNC(=O)C1 ZINC001130867422 787002994 /nfs/dbraw/zinc/00/29/94/787002994.db2.gz CUZUXRCNXITPRN-UHFFFAOYSA-N 2 0 344.375 -1.388 20 0 EAADRP Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001131108037 787022276 /nfs/dbraw/zinc/02/22/76/787022276.db2.gz HARCKJNCLOUSPC-ZIAGYGMSSA-N 2 0 339.440 -1.125 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196422 787027188 /nfs/dbraw/zinc/02/71/88/787027188.db2.gz FGIUHMDNJBMAEZ-UHFFFAOYSA-N 2 0 331.336 -1.218 20 0 EAADRP O=C(C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)N1CCNC(=O)C1 ZINC001131370801 787043726 /nfs/dbraw/zinc/04/37/26/787043726.db2.gz VNEACFUQDRVURY-UHFFFAOYSA-N 2 0 344.375 -1.388 20 0 EAADRP O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519162 787058779 /nfs/dbraw/zinc/05/87/79/787058779.db2.gz AAHCXRMXDVPKBK-MFOWVQHXSA-N 2 0 337.424 -1.419 20 0 EAADRP O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519195 787059960 /nfs/dbraw/zinc/05/99/60/787059960.db2.gz AAHCXRMXDVPKBK-UYJPIKCFSA-N 2 0 337.424 -1.419 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519200 787059489 /nfs/dbraw/zinc/05/94/89/787059489.db2.gz ADRUVQDCZMSBKP-LOIXOFCESA-N 2 0 339.396 -1.989 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519201 787059928 /nfs/dbraw/zinc/05/99/28/787059928.db2.gz ADRUVQDCZMSBKP-VTWZXRTESA-N 2 0 339.396 -1.989 20 0 EAADRP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519430 787059619 /nfs/dbraw/zinc/05/96/19/787059619.db2.gz FFTLSRZBFYZJFN-LZUBYRBGSA-N 2 0 336.392 -1.639 20 0 EAADRP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519431 787060682 /nfs/dbraw/zinc/06/06/82/787060682.db2.gz FFTLSRZBFYZJFN-QNGPIJNLSA-N 2 0 336.392 -1.639 20 0 EAADRP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519432 787059105 /nfs/dbraw/zinc/05/91/05/787059105.db2.gz FFTLSRZBFYZJFN-SLMGRZLQSA-N 2 0 336.392 -1.639 20 0 EAADRP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519433 787058643 /nfs/dbraw/zinc/05/86/43/787058643.db2.gz FFTLSRZBFYZJFN-YZUGKSJVSA-N 2 0 336.392 -1.639 20 0 EAADRP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520253 787058574 /nfs/dbraw/zinc/05/85/74/787058574.db2.gz WDVKKFDWSNTLBZ-LXVYMNJGSA-N 2 0 331.438 -1.400 20 0 EAADRP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520254 787059414 /nfs/dbraw/zinc/05/94/14/787059414.db2.gz WDVKKFDWSNTLBZ-MBHSVXNSSA-N 2 0 331.438 -1.400 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520468 787060044 /nfs/dbraw/zinc/06/00/44/787060044.db2.gz YUFQCYAELIQWJG-OPASDULOSA-N 2 0 325.369 -2.250 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520469 787059691 /nfs/dbraw/zinc/05/96/91/787059691.db2.gz YUFQCYAELIQWJG-XIRUVYRFSA-N 2 0 325.369 -2.250 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521756 787060835 /nfs/dbraw/zinc/06/08/35/787060835.db2.gz GAFSFOJCUGBSRE-BFVXHGPNSA-N 2 0 339.396 -1.861 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521757 787059350 /nfs/dbraw/zinc/05/93/50/787059350.db2.gz GAFSFOJCUGBSRE-GPZIFOQPSA-N 2 0 339.396 -1.861 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521758 787060952 /nfs/dbraw/zinc/06/09/52/787060952.db2.gz GAFSFOJCUGBSRE-PAPNWUEJSA-N 2 0 339.396 -1.861 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521759 787058483 /nfs/dbraw/zinc/05/84/83/787058483.db2.gz GAFSFOJCUGBSRE-VQEBWTGLSA-N 2 0 339.396 -1.861 20 0 EAADRP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521797 787059867 /nfs/dbraw/zinc/05/98/67/787059867.db2.gz HYLFAWFZGHSIEQ-JVWICGRDSA-N 2 0 345.465 -1.010 20 0 EAADRP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521798 787058382 /nfs/dbraw/zinc/05/83/82/787058382.db2.gz HYLFAWFZGHSIEQ-OWYJLGKBSA-N 2 0 345.465 -1.010 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522089 787058927 /nfs/dbraw/zinc/05/89/27/787058927.db2.gz RZNMMHCXVFQOJP-LXVYMNJGSA-N 2 0 346.453 -1.895 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522090 787059574 /nfs/dbraw/zinc/05/95/74/787059574.db2.gz RZNMMHCXVFQOJP-MBHSVXNSSA-N 2 0 346.453 -1.895 20 0 EAADRP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525988 787060099 /nfs/dbraw/zinc/06/00/99/787060099.db2.gz UCZLNLJDUXRUPH-DGNOSDGRSA-N 2 0 349.435 -1.187 20 0 EAADRP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525989 787059456 /nfs/dbraw/zinc/05/94/56/787059456.db2.gz UCZLNLJDUXRUPH-GWUWNPHMSA-N 2 0 349.435 -1.187 20 0 EAADRP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525990 787060535 /nfs/dbraw/zinc/06/05/35/787060535.db2.gz UCZLNLJDUXRUPH-GYMHETDLSA-N 2 0 349.435 -1.187 20 0 EAADRP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525991 787059539 /nfs/dbraw/zinc/05/95/39/787059539.db2.gz UCZLNLJDUXRUPH-KRIMKBQASA-N 2 0 349.435 -1.187 20 0 EAADRP CC(C)(C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001132283850 787130916 /nfs/dbraw/zinc/13/09/16/787130916.db2.gz LOVMRSDPJBWBBK-UHFFFAOYSA-N 2 0 339.440 -1.475 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001132848234 787164018 /nfs/dbraw/zinc/16/40/18/787164018.db2.gz BVCDWYVXVIGCAA-NEPJUHHUSA-N 2 0 326.397 -1.393 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001132848235 787163625 /nfs/dbraw/zinc/16/36/25/787163625.db2.gz BVCDWYVXVIGCAA-NWDGAFQWSA-N 2 0 326.397 -1.393 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001132848236 787164553 /nfs/dbraw/zinc/16/45/53/787164553.db2.gz BVCDWYVXVIGCAA-RYUDHWBXSA-N 2 0 326.397 -1.393 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001132848237 787164618 /nfs/dbraw/zinc/16/46/18/787164618.db2.gz BVCDWYVXVIGCAA-VXGBXAGGSA-N 2 0 326.397 -1.393 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001132848374 787164712 /nfs/dbraw/zinc/16/47/12/787164712.db2.gz GTQBKIQINBBCSY-CYBMUJFWSA-N 2 0 327.429 -1.173 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001132848375 787164104 /nfs/dbraw/zinc/16/41/04/787164104.db2.gz GTQBKIQINBBCSY-ZDUSSCGKSA-N 2 0 327.429 -1.173 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848427 787164438 /nfs/dbraw/zinc/16/44/38/787164438.db2.gz HWDTVYIWCULSSL-HNNXBMFYSA-N 2 0 344.456 -1.046 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848428 787163857 /nfs/dbraw/zinc/16/38/57/787163857.db2.gz HWDTVYIWCULSSL-OAHLLOKOSA-N 2 0 344.456 -1.046 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001132848449 787164594 /nfs/dbraw/zinc/16/45/94/787164594.db2.gz IERDAFGURSLANM-GFCCVEGCSA-N 2 0 341.412 -1.647 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001132848450 787164371 /nfs/dbraw/zinc/16/43/71/787164371.db2.gz IERDAFGURSLANM-LBPRGKRZSA-N 2 0 341.412 -1.647 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001132848659 787164701 /nfs/dbraw/zinc/16/47/01/787164701.db2.gz OEBMCOHHCIMPHI-GFCCVEGCSA-N 2 0 336.458 -1.649 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001132848660 787163540 /nfs/dbraw/zinc/16/35/40/787163540.db2.gz OEBMCOHHCIMPHI-LBPRGKRZSA-N 2 0 336.458 -1.649 20 0 EAADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848917 787163818 /nfs/dbraw/zinc/16/38/18/787163818.db2.gz WIJUPXJFUOPFLB-CABCVRRESA-N 2 0 347.456 -1.175 20 0 EAADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848918 787164981 /nfs/dbraw/zinc/16/49/81/787164981.db2.gz WIJUPXJFUOPFLB-GJZGRUSLSA-N 2 0 347.456 -1.175 20 0 EAADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848919 787166190 /nfs/dbraw/zinc/16/61/90/787166190.db2.gz WIJUPXJFUOPFLB-HUUCEWRRSA-N 2 0 347.456 -1.175 20 0 EAADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848920 787165716 /nfs/dbraw/zinc/16/57/16/787165716.db2.gz WIJUPXJFUOPFLB-LSDHHAIUSA-N 2 0 347.456 -1.175 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001132852102 787165266 /nfs/dbraw/zinc/16/52/66/787165266.db2.gz HUCXNKIODWPZEH-CYBMUJFWSA-N 2 0 340.424 -1.050 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001132852103 787165599 /nfs/dbraw/zinc/16/55/99/787165599.db2.gz HUCXNKIODWPZEH-ZDUSSCGKSA-N 2 0 340.424 -1.050 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852146 787164866 /nfs/dbraw/zinc/16/48/66/787164866.db2.gz ILQVCYVWPOXWNU-NEPJUHHUSA-N 2 0 343.428 -1.355 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852147 787165740 /nfs/dbraw/zinc/16/57/40/787165740.db2.gz ILQVCYVWPOXWNU-NWDGAFQWSA-N 2 0 343.428 -1.355 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852148 787165793 /nfs/dbraw/zinc/16/57/93/787165793.db2.gz ILQVCYVWPOXWNU-RYUDHWBXSA-N 2 0 343.428 -1.355 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852149 787165443 /nfs/dbraw/zinc/16/54/43/787165443.db2.gz ILQVCYVWPOXWNU-VXGBXAGGSA-N 2 0 343.428 -1.355 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001132852718 787165542 /nfs/dbraw/zinc/16/55/42/787165542.db2.gz SQEDEJBPNCQKNX-GHMZBOCLSA-N 2 0 329.401 -1.615 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001132852719 787165151 /nfs/dbraw/zinc/16/51/51/787165151.db2.gz SQEDEJBPNCQKNX-MNOVXSKESA-N 2 0 329.401 -1.615 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001132852721 787165193 /nfs/dbraw/zinc/16/51/93/787165193.db2.gz SQEDEJBPNCQKNX-QWRGUYRKSA-N 2 0 329.401 -1.615 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001132852723 787165024 /nfs/dbraw/zinc/16/50/24/787165024.db2.gz SQEDEJBPNCQKNX-WDEREUQCSA-N 2 0 329.401 -1.615 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858649 787163445 /nfs/dbraw/zinc/16/34/45/787163445.db2.gz DJIGIJFUXBCRGB-AWEZNQCLSA-N 2 0 344.456 -1.046 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858650 787163165 /nfs/dbraw/zinc/16/31/65/787163165.db2.gz DJIGIJFUXBCRGB-CQSZACIVSA-N 2 0 344.456 -1.046 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858982 787164063 /nfs/dbraw/zinc/16/40/63/787164063.db2.gz QYSFEELZUJWSCY-AWEZNQCLSA-N 2 0 344.456 -1.046 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858983 787163959 /nfs/dbraw/zinc/16/39/59/787163959.db2.gz QYSFEELZUJWSCY-CQSZACIVSA-N 2 0 344.456 -1.046 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859027 787163769 /nfs/dbraw/zinc/16/37/69/787163769.db2.gz SUMNZIIJZDKMDZ-GFCCVEGCSA-N 2 0 343.428 -1.353 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859028 787164638 /nfs/dbraw/zinc/16/46/38/787164638.db2.gz SUMNZIIJZDKMDZ-LBPRGKRZSA-N 2 0 343.428 -1.353 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859036 787164205 /nfs/dbraw/zinc/16/42/05/787164205.db2.gz TYAZABUXIGQDLT-LLVKDONJSA-N 2 0 329.401 -1.743 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859037 787164408 /nfs/dbraw/zinc/16/44/08/787164408.db2.gz TYAZABUXIGQDLT-NSHDSACASA-N 2 0 329.401 -1.743 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001132859160 787163320 /nfs/dbraw/zinc/16/33/20/787163320.db2.gz XWQDQGLQIFTPNA-AWEZNQCLSA-N 2 0 342.440 -1.340 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001132859161 787164493 /nfs/dbraw/zinc/16/44/93/787164493.db2.gz XWQDQGLQIFTPNA-CQSZACIVSA-N 2 0 342.440 -1.340 20 0 EAADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001132893248 787165523 /nfs/dbraw/zinc/16/55/23/787165523.db2.gz MAJRGVQSIFIKRK-RYUDHWBXSA-N 2 0 325.413 -1.026 20 0 EAADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001132993078 787170237 /nfs/dbraw/zinc/17/02/37/787170237.db2.gz MQZNIXXJSVUZSZ-UHFFFAOYSA-N 2 0 325.413 -2.008 20 0 EAADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001132995511 787170942 /nfs/dbraw/zinc/17/09/42/787170942.db2.gz WLEHTKFUEUTSSF-UHFFFAOYSA-N 2 0 325.413 -1.024 20 0 EAADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001132995550 787170344 /nfs/dbraw/zinc/17/03/44/787170344.db2.gz XSOYSERWCXASOD-GFCCVEGCSA-N 2 0 340.424 -1.456 20 0 EAADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001132995551 787170322 /nfs/dbraw/zinc/17/03/22/787170322.db2.gz XSOYSERWCXASOD-LBPRGKRZSA-N 2 0 340.424 -1.456 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)cc(=O)n(C)c1=O ZINC001132997942 787170276 /nfs/dbraw/zinc/17/02/76/787170276.db2.gz MOAQJRRVRMBPAT-UHFFFAOYSA-N 2 0 337.424 -1.368 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001133001344 787170867 /nfs/dbraw/zinc/17/08/67/787170867.db2.gz YGLRISDEAOXWEY-GFCCVEGCSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001133001345 787169927 /nfs/dbraw/zinc/16/99/27/787169927.db2.gz YGLRISDEAOXWEY-LBPRGKRZSA-N 2 0 341.456 -1.373 20 0 EAADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001133051435 787173302 /nfs/dbraw/zinc/17/33/02/787173302.db2.gz GEKZTHMHKPGQAX-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133051470 787172945 /nfs/dbraw/zinc/17/29/45/787172945.db2.gz GSSUROPDLNLEFT-GFCCVEGCSA-N 2 0 328.413 -1.456 20 0 EAADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133051471 787173291 /nfs/dbraw/zinc/17/32/91/787173291.db2.gz GSSUROPDLNLEFT-LBPRGKRZSA-N 2 0 328.413 -1.456 20 0 EAADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133051669 787173348 /nfs/dbraw/zinc/17/33/48/787173348.db2.gz KPZBUMKOMJWETK-CYBMUJFWSA-N 2 0 341.456 -1.242 20 0 EAADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133051670 787173135 /nfs/dbraw/zinc/17/31/35/787173135.db2.gz KPZBUMKOMJWETK-ZDUSSCGKSA-N 2 0 341.456 -1.242 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)CC1 ZINC001133051707 787173361 /nfs/dbraw/zinc/17/33/61/787173361.db2.gz LWYFRJQNIKKLJQ-UHFFFAOYSA-N 2 0 341.456 -1.275 20 0 EAADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001133051736 787173166 /nfs/dbraw/zinc/17/31/66/787173166.db2.gz NAHUCHMGWGZUKJ-UHFFFAOYSA-N 2 0 341.456 -1.242 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001133051767 787173141 /nfs/dbraw/zinc/17/31/41/787173141.db2.gz NXYHPXXDJOBRSA-GFCCVEGCSA-N 2 0 329.445 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001133051768 787173101 /nfs/dbraw/zinc/17/31/01/787173101.db2.gz NXYHPXXDJOBRSA-LBPRGKRZSA-N 2 0 329.445 -1.373 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)CCC[NH+](C)C)cc(=O)n(C)c1=O ZINC001133051982 787173492 /nfs/dbraw/zinc/17/34/92/787173492.db2.gz XBMORBANIVBOII-UHFFFAOYSA-N 2 0 325.413 -1.368 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133054278 787172914 /nfs/dbraw/zinc/17/29/14/787172914.db2.gz FRKXJRBASWVJMX-GFCCVEGCSA-N 2 0 345.444 -1.105 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133054279 787173257 /nfs/dbraw/zinc/17/32/57/787173257.db2.gz FRKXJRBASWVJMX-LBPRGKRZSA-N 2 0 345.444 -1.105 20 0 EAADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC1 ZINC001133281575 787184877 /nfs/dbraw/zinc/18/48/77/787184877.db2.gz CQLJTTDVXHZFFY-CYBMUJFWSA-N 2 0 340.424 -1.456 20 0 EAADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC1 ZINC001133281576 787183932 /nfs/dbraw/zinc/18/39/32/787183932.db2.gz CQLJTTDVXHZFFY-ZDUSSCGKSA-N 2 0 340.424 -1.456 20 0 EAADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001133282060 787184433 /nfs/dbraw/zinc/18/44/33/787184433.db2.gz ZBVQNUMVIWLCMZ-UHFFFAOYSA-N 2 0 325.413 -1.024 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)cc(=O)n(C)c1=O ZINC001133285755 787185577 /nfs/dbraw/zinc/18/55/77/787185577.db2.gz HISIHPMIEFSBNE-UHFFFAOYSA-N 2 0 337.424 -1.368 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001133286012 787185877 /nfs/dbraw/zinc/18/58/77/787185877.db2.gz SMYJTHDLPHDCFD-GFCCVEGCSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001133286013 787186278 /nfs/dbraw/zinc/18/62/78/787186278.db2.gz SMYJTHDLPHDCFD-LBPRGKRZSA-N 2 0 341.456 -1.373 20 0 EAADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001133287943 787186287 /nfs/dbraw/zinc/18/62/87/787186287.db2.gz QBVNUGWJNARQEW-UHFFFAOYSA-N 2 0 325.413 -2.008 20 0 EAADRP COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133290766 787185926 /nfs/dbraw/zinc/18/59/26/787185926.db2.gz AXKHWOOPLKDZPN-UHFFFAOYSA-N 2 0 338.474 -1.400 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCCCN1CCCC1=O ZINC001133290767 787185944 /nfs/dbraw/zinc/18/59/44/787185944.db2.gz AXOSXZGIUGNTNE-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001133290821 787186071 /nfs/dbraw/zinc/18/60/71/787186071.db2.gz DPZJFOBTOREWKH-UHFFFAOYSA-N 2 0 327.429 -1.632 20 0 EAADRP CN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001133291443 787185823 /nfs/dbraw/zinc/18/58/23/787185823.db2.gz PYPGNMHDBJVGEH-GFCCVEGCSA-N 2 0 348.469 -1.711 20 0 EAADRP CN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001133291444 787185299 /nfs/dbraw/zinc/18/52/99/787185299.db2.gz PYPGNMHDBJVGEH-LBPRGKRZSA-N 2 0 348.469 -1.711 20 0 EAADRP Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)CC[NH+](C)C)cn1 ZINC001133291476 787185379 /nfs/dbraw/zinc/18/53/79/787185379.db2.gz RASFNWJKUPDLTF-UHFFFAOYSA-N 2 0 346.457 -1.644 20 0 EAADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291481 787185391 /nfs/dbraw/zinc/18/53/91/787185391.db2.gz RLGMTZZQVSYWRU-UHFFFAOYSA-N 2 0 329.445 -1.372 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133291519 787185472 /nfs/dbraw/zinc/18/54/72/787185472.db2.gz SYTDOVORIHWEFI-GFCCVEGCSA-N 2 0 327.429 -1.632 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133291520 787185722 /nfs/dbraw/zinc/18/57/22/787185722.db2.gz SYTDOVORIHWEFI-LBPRGKRZSA-N 2 0 327.429 -1.632 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133291526 787186157 /nfs/dbraw/zinc/18/61/57/787186157.db2.gz TYEUZEAFQGAOJW-CHWSQXEVSA-N 2 0 341.456 -1.244 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133291527 787186029 /nfs/dbraw/zinc/18/60/29/787186029.db2.gz TYEUZEAFQGAOJW-OLZOCXBDSA-N 2 0 341.456 -1.244 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133291528 787185701 /nfs/dbraw/zinc/18/57/01/787185701.db2.gz TYEUZEAFQGAOJW-QWHCGFSZSA-N 2 0 341.456 -1.244 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133291529 787186192 /nfs/dbraw/zinc/18/61/92/787186192.db2.gz TYEUZEAFQGAOJW-STQMWFEESA-N 2 0 341.456 -1.244 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)CC1 ZINC001133291763 787186101 /nfs/dbraw/zinc/18/61/01/787186101.db2.gz ZCSCOSCHYCUGTE-UHFFFAOYSA-N 2 0 327.429 -1.665 20 0 EAADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)CC1 ZINC001133294328 787185659 /nfs/dbraw/zinc/18/56/59/787185659.db2.gz CVGLWAHJECSPNY-CYBMUJFWSA-N 2 0 341.456 -1.277 20 0 EAADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)CC1 ZINC001133294329 787186085 /nfs/dbraw/zinc/18/60/85/787186085.db2.gz CVGLWAHJECSPNY-ZDUSSCGKSA-N 2 0 341.456 -1.277 20 0 EAADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C1 ZINC001133294838 787185604 /nfs/dbraw/zinc/18/56/04/787185604.db2.gz WRBPGSWZRIPXOS-AWEZNQCLSA-N 2 0 341.456 -1.229 20 0 EAADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C1 ZINC001133294839 787185834 /nfs/dbraw/zinc/18/58/34/787185834.db2.gz WRBPGSWZRIPXOS-CQSZACIVSA-N 2 0 341.456 -1.229 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001133294844 787186000 /nfs/dbraw/zinc/18/60/00/787186000.db2.gz WWZJXNOFFOBUIU-GFCCVEGCSA-N 2 0 348.469 -1.805 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001133294852 787186202 /nfs/dbraw/zinc/18/62/02/787186202.db2.gz WWZJXNOFFOBUIU-LBPRGKRZSA-N 2 0 348.469 -1.805 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N1CCC(C(N)=O)CC1 ZINC001133294879 787185981 /nfs/dbraw/zinc/18/59/81/787185981.db2.gz XTTURAMFQIQBOV-GFCCVEGCSA-N 2 0 341.456 -1.244 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N1CCC(C(N)=O)CC1 ZINC001133294881 787185418 /nfs/dbraw/zinc/18/54/18/787185418.db2.gz XTTURAMFQIQBOV-LBPRGKRZSA-N 2 0 341.456 -1.244 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001133297333 787187462 /nfs/dbraw/zinc/18/74/62/787187462.db2.gz KSBFBTBWBIRSNW-UHFFFAOYSA-N 2 0 329.445 -1.325 20 0 EAADRP CC(=O)N1CCC(NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)CC1 ZINC001133298021 787186835 /nfs/dbraw/zinc/18/68/35/787186835.db2.gz WRSSBPREICIMGA-UHFFFAOYSA-N 2 0 341.456 -1.229 20 0 EAADRP CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)CC1 ZINC001133300035 787185790 /nfs/dbraw/zinc/18/57/90/787185790.db2.gz HGBQLCNKRFSAAQ-UHFFFAOYSA-N 2 0 341.456 -1.372 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133300104 787185889 /nfs/dbraw/zinc/18/58/89/787185889.db2.gz KVOJWZMPXAXRLO-LLVKDONJSA-N 2 0 331.417 -1.495 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133300105 787186222 /nfs/dbraw/zinc/18/62/22/787186222.db2.gz KVOJWZMPXAXRLO-NSHDSACASA-N 2 0 331.417 -1.495 20 0 EAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001133300351 787185325 /nfs/dbraw/zinc/18/53/25/787185325.db2.gz WYGUUQFPXUXQHR-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001133415595 787189233 /nfs/dbraw/zinc/18/92/33/787189233.db2.gz FYZNUFHQEFNJCG-CQSZACIVSA-N 2 0 327.429 -1.763 20 0 EAADRP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001133433721 787189293 /nfs/dbraw/zinc/18/92/93/787189293.db2.gz ATCNNQMVXKUPOQ-CQSZACIVSA-N 2 0 339.440 -1.124 20 0 EAADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133434148 787189389 /nfs/dbraw/zinc/18/93/89/787189389.db2.gz IRQPNXVYFJNHPE-GXTWGEPZSA-N 2 0 343.472 -1.129 20 0 EAADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133434149 787189085 /nfs/dbraw/zinc/18/90/85/787189085.db2.gz IRQPNXVYFJNHPE-TZMCWYRMSA-N 2 0 343.472 -1.129 20 0 EAADRP CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001133434517 787188866 /nfs/dbraw/zinc/18/88/66/787188866.db2.gz VLNAAOXKYLOKCA-IUODEOHRSA-N 2 0 342.440 -1.212 20 0 EAADRP CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001133434518 787188708 /nfs/dbraw/zinc/18/87/08/787188708.db2.gz VLNAAOXKYLOKCA-SWLSCSKDSA-N 2 0 342.440 -1.212 20 0 EAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](CC)CC ZINC001133684733 787197457 /nfs/dbraw/zinc/19/74/57/787197457.db2.gz MHDDJBLVTNIBBX-CYBMUJFWSA-N 2 0 341.456 -1.229 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](CC)CC ZINC001133684734 787197821 /nfs/dbraw/zinc/19/78/21/787197821.db2.gz MHDDJBLVTNIBBX-ZDUSSCGKSA-N 2 0 341.456 -1.229 20 0 EAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133819370 787204896 /nfs/dbraw/zinc/20/48/96/787204896.db2.gz ABWOOASZKMDUCO-GFCCVEGCSA-N 2 0 325.413 -1.865 20 0 EAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133819371 787204636 /nfs/dbraw/zinc/20/46/36/787204636.db2.gz ABWOOASZKMDUCO-LBPRGKRZSA-N 2 0 325.413 -1.865 20 0 EAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133823735 787204704 /nfs/dbraw/zinc/20/47/04/787204704.db2.gz NBHOPJCSOZOISD-CHWSQXEVSA-N 2 0 340.424 -1.314 20 0 EAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133823736 787205609 /nfs/dbraw/zinc/20/56/09/787205609.db2.gz NBHOPJCSOZOISD-OLZOCXBDSA-N 2 0 340.424 -1.314 20 0 EAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133823737 787205593 /nfs/dbraw/zinc/20/55/93/787205593.db2.gz NBHOPJCSOZOISD-QWHCGFSZSA-N 2 0 340.424 -1.314 20 0 EAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133823738 787204766 /nfs/dbraw/zinc/20/47/66/787204766.db2.gz NBHOPJCSOZOISD-STQMWFEESA-N 2 0 340.424 -1.314 20 0 EAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133834030 787205328 /nfs/dbraw/zinc/20/53/28/787205328.db2.gz MCXNKDWVWQLHHW-GFCCVEGCSA-N 2 0 337.424 -1.226 20 0 EAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133834031 787204337 /nfs/dbraw/zinc/20/43/37/787204337.db2.gz MCXNKDWVWQLHHW-LBPRGKRZSA-N 2 0 337.424 -1.226 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)N(C)C ZINC001133834034 787204385 /nfs/dbraw/zinc/20/43/85/787204385.db2.gz MGHHBTPUDFYEBB-CHWSQXEVSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)N(C)C ZINC001133834035 787204575 /nfs/dbraw/zinc/20/45/75/787204575.db2.gz MGHHBTPUDFYEBB-OLZOCXBDSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)N(C)C ZINC001133834036 787204816 /nfs/dbraw/zinc/20/48/16/787204816.db2.gz MGHHBTPUDFYEBB-QWHCGFSZSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)N(C)C ZINC001133834037 787204661 /nfs/dbraw/zinc/20/46/61/787204661.db2.gz MGHHBTPUDFYEBB-STQMWFEESA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133845584 787206293 /nfs/dbraw/zinc/20/62/93/787206293.db2.gz JDGSBSILTIOVED-GFCCVEGCSA-N 2 0 325.413 -1.024 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133845585 787207610 /nfs/dbraw/zinc/20/76/10/787207610.db2.gz JDGSBSILTIOVED-LBPRGKRZSA-N 2 0 325.413 -1.024 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133846190 787207322 /nfs/dbraw/zinc/20/73/22/787207322.db2.gz VOBRBNLZXPBUNB-GFCCVEGCSA-N 2 0 325.413 -2.008 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133846191 787207169 /nfs/dbraw/zinc/20/71/69/787207169.db2.gz VOBRBNLZXPBUNB-LBPRGKRZSA-N 2 0 325.413 -2.008 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001133849701 787205919 /nfs/dbraw/zinc/20/59/19/787205919.db2.gz CEUCZBQLOUSVNL-CHWSQXEVSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001133849702 787207769 /nfs/dbraw/zinc/20/77/69/787207769.db2.gz CEUCZBQLOUSVNL-OLZOCXBDSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001133849703 787206764 /nfs/dbraw/zinc/20/67/64/787206764.db2.gz CEUCZBQLOUSVNL-QWHCGFSZSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001133849704 787207134 /nfs/dbraw/zinc/20/71/34/787207134.db2.gz CEUCZBQLOUSVNL-STQMWFEESA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133849712 787206452 /nfs/dbraw/zinc/20/64/52/787206452.db2.gz CHXOGOJVGCEPDK-GFCCVEGCSA-N 2 0 337.424 -1.368 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133849713 787207454 /nfs/dbraw/zinc/20/74/54/787207454.db2.gz CHXOGOJVGCEPDK-LBPRGKRZSA-N 2 0 337.424 -1.368 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850095 787206529 /nfs/dbraw/zinc/20/65/29/787206529.db2.gz IYWZUTOLQDIKTR-CHWSQXEVSA-N 2 0 340.424 -1.456 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850096 787206276 /nfs/dbraw/zinc/20/62/76/787206276.db2.gz IYWZUTOLQDIKTR-OLZOCXBDSA-N 2 0 340.424 -1.456 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850097 787206193 /nfs/dbraw/zinc/20/61/93/787206193.db2.gz IYWZUTOLQDIKTR-QWHCGFSZSA-N 2 0 340.424 -1.456 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850098 787206563 /nfs/dbraw/zinc/20/65/63/787206563.db2.gz IYWZUTOLQDIKTR-STQMWFEESA-N 2 0 340.424 -1.456 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133864048 787206790 /nfs/dbraw/zinc/20/67/90/787206790.db2.gz UFCVEITUGKJUFO-NEPJUHHUSA-N 2 0 325.413 -1.168 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133864049 787207747 /nfs/dbraw/zinc/20/77/47/787207747.db2.gz UFCVEITUGKJUFO-NWDGAFQWSA-N 2 0 325.413 -1.168 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133864050 787207732 /nfs/dbraw/zinc/20/77/32/787207732.db2.gz UFCVEITUGKJUFO-RYUDHWBXSA-N 2 0 325.413 -1.168 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133864051 787207044 /nfs/dbraw/zinc/20/70/44/787207044.db2.gz UFCVEITUGKJUFO-VXGBXAGGSA-N 2 0 325.413 -1.168 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133867442 787206870 /nfs/dbraw/zinc/20/68/70/787206870.db2.gz UYQBRNJUSQHNKF-AAEUAGOBSA-N 2 0 337.424 -1.513 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133867443 787206583 /nfs/dbraw/zinc/20/65/83/787206583.db2.gz UYQBRNJUSQHNKF-DGCLKSJQSA-N 2 0 337.424 -1.513 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133867444 787206361 /nfs/dbraw/zinc/20/63/61/787206361.db2.gz UYQBRNJUSQHNKF-WCQYABFASA-N 2 0 337.424 -1.513 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133867445 787207501 /nfs/dbraw/zinc/20/75/01/787207501.db2.gz UYQBRNJUSQHNKF-YPMHNXCESA-N 2 0 337.424 -1.513 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133869596 787206959 /nfs/dbraw/zinc/20/69/59/787206959.db2.gz HHSZHWBOYOLQRK-CMPLNLGQSA-N 2 0 325.413 -1.122 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133869597 787207382 /nfs/dbraw/zinc/20/73/82/787207382.db2.gz HHSZHWBOYOLQRK-JQWIXIFHSA-N 2 0 325.413 -1.122 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133869598 787206712 /nfs/dbraw/zinc/20/67/12/787206712.db2.gz HHSZHWBOYOLQRK-PWSUYJOCSA-N 2 0 325.413 -1.122 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133869599 787207629 /nfs/dbraw/zinc/20/76/29/787207629.db2.gz HHSZHWBOYOLQRK-ZYHUDNBSSA-N 2 0 325.413 -1.122 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133870112 787207100 /nfs/dbraw/zinc/20/71/00/787207100.db2.gz QABSXQFGPWOLRJ-CHWSQXEVSA-N 2 0 332.470 -1.075 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133870113 787206340 /nfs/dbraw/zinc/20/63/40/787206340.db2.gz QABSXQFGPWOLRJ-OLZOCXBDSA-N 2 0 332.470 -1.075 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133870114 787207425 /nfs/dbraw/zinc/20/74/25/787207425.db2.gz QABSXQFGPWOLRJ-QWHCGFSZSA-N 2 0 332.470 -1.075 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133870115 787207650 /nfs/dbraw/zinc/20/76/50/787207650.db2.gz QABSXQFGPWOLRJ-STQMWFEESA-N 2 0 332.470 -1.075 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133870769 787206043 /nfs/dbraw/zinc/20/60/43/787206043.db2.gz WGZRHGKBAKCPHY-NEPJUHHUSA-N 2 0 325.413 -2.152 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133870770 787206910 /nfs/dbraw/zinc/20/69/10/787206910.db2.gz WGZRHGKBAKCPHY-NWDGAFQWSA-N 2 0 325.413 -2.152 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133870771 787206814 /nfs/dbraw/zinc/20/68/14/787206814.db2.gz WGZRHGKBAKCPHY-RYUDHWBXSA-N 2 0 325.413 -2.152 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133870772 787206937 /nfs/dbraw/zinc/20/69/37/787206937.db2.gz WGZRHGKBAKCPHY-VXGBXAGGSA-N 2 0 325.413 -2.152 20 0 EAADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133893694 787209503 /nfs/dbraw/zinc/20/95/03/787209503.db2.gz MMNIHSVNCODDCH-UHFFFAOYSA-N 2 0 339.440 -1.618 20 0 EAADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001133896122 787209549 /nfs/dbraw/zinc/20/95/49/787209549.db2.gz CSNIXXOFDUUEHD-UHFFFAOYSA-N 2 0 325.413 -1.024 20 0 EAADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)CC(C)(C)C ZINC001133899525 787209287 /nfs/dbraw/zinc/20/92/87/787209287.db2.gz KKWHYHPHKOYMDY-UHFFFAOYSA-N 2 0 341.456 -1.372 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001133966064 787214315 /nfs/dbraw/zinc/21/43/15/787214315.db2.gz VVPQODHXQLBXTJ-NEPJUHHUSA-N 2 0 328.413 -1.458 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001133966065 787215489 /nfs/dbraw/zinc/21/54/89/787215489.db2.gz VVPQODHXQLBXTJ-RYUDHWBXSA-N 2 0 328.413 -1.458 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)[NH+](C)C ZINC001133966076 787214824 /nfs/dbraw/zinc/21/48/24/787214824.db2.gz WKNLPGRAJILTQA-ZDUSSCGKSA-N 2 0 341.456 -1.244 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133967769 787214785 /nfs/dbraw/zinc/21/47/85/787214785.db2.gz CTCRDDAOIYIYFZ-NEPJUHHUSA-N 2 0 329.445 -1.375 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001133967770 787214658 /nfs/dbraw/zinc/21/46/58/787214658.db2.gz CTCRDDAOIYIYFZ-RYUDHWBXSA-N 2 0 329.445 -1.375 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC)[NH+](C)C ZINC001133967837 787214189 /nfs/dbraw/zinc/21/41/89/787214189.db2.gz FMVCCWFADVZMAX-NEPJUHHUSA-N 2 0 345.444 -1.107 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC)[NH+](C)C ZINC001133967838 787215243 /nfs/dbraw/zinc/21/52/43/787215243.db2.gz FMVCCWFADVZMAX-RYUDHWBXSA-N 2 0 345.444 -1.107 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001133967989 787214601 /nfs/dbraw/zinc/21/46/01/787214601.db2.gz JQCIHYCIWVHJFR-OLZOCXBDSA-N 2 0 341.456 -1.244 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001133967990 787213695 /nfs/dbraw/zinc/21/36/95/787213695.db2.gz JQCIHYCIWVHJFR-STQMWFEESA-N 2 0 341.456 -1.244 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1)[NH+](C)C ZINC001133968055 787215366 /nfs/dbraw/zinc/21/53/66/787215366.db2.gz LYIQKSBNZANFHC-ZDUSSCGKSA-N 2 0 341.456 -1.229 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1)[NH+](C)C ZINC001133968063 787214795 /nfs/dbraw/zinc/21/47/95/787214795.db2.gz MFNIOIFOHXEVPP-AWEZNQCLSA-N 2 0 341.456 -1.277 20 0 EAADRP CC[C@@H](C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001133968235 787215195 /nfs/dbraw/zinc/21/51/95/787215195.db2.gz SGVLHDUBNNZERI-LBPRGKRZSA-N 2 0 325.413 -1.370 20 0 EAADRP C[C@H](COCC(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021165 787217302 /nfs/dbraw/zinc/21/73/02/787217302.db2.gz SZZPZJLHTXRUKQ-LLVKDONJSA-N 2 0 329.401 -1.612 20 0 EAADRP C[C@@H](COCC(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021166 787217184 /nfs/dbraw/zinc/21/71/84/787217184.db2.gz SZZPZJLHTXRUKQ-NSHDSACASA-N 2 0 329.401 -1.612 20 0 EAADRP C[C@H](COCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001134021169 787216981 /nfs/dbraw/zinc/21/69/81/787216981.db2.gz TYOUTXHYAJHSGT-CHWSQXEVSA-N 2 0 340.424 -1.002 20 0 EAADRP C[C@H](COCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001134021170 787215805 /nfs/dbraw/zinc/21/58/05/787215805.db2.gz TYOUTXHYAJHSGT-OLZOCXBDSA-N 2 0 340.424 -1.002 20 0 EAADRP C[C@@H](COCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001134021171 787217514 /nfs/dbraw/zinc/21/75/14/787217514.db2.gz TYOUTXHYAJHSGT-QWHCGFSZSA-N 2 0 340.424 -1.002 20 0 EAADRP C[C@@H](COCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001134021172 787217427 /nfs/dbraw/zinc/21/74/27/787217427.db2.gz TYOUTXHYAJHSGT-STQMWFEESA-N 2 0 340.424 -1.002 20 0 EAADRP C[C@H](COCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021266 787217501 /nfs/dbraw/zinc/21/75/01/787217501.db2.gz WLUIHDWJKBMDRS-NEPJUHHUSA-N 2 0 343.428 -1.224 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001134021267 787217082 /nfs/dbraw/zinc/21/70/82/787217082.db2.gz WLUIHDWJKBMDRS-NWDGAFQWSA-N 2 0 343.428 -1.224 20 0 EAADRP C[C@@H](COCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021268 787216442 /nfs/dbraw/zinc/21/64/42/787216442.db2.gz WLUIHDWJKBMDRS-RYUDHWBXSA-N 2 0 343.428 -1.224 20 0 EAADRP C[C@H](COCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021269 787217001 /nfs/dbraw/zinc/21/70/01/787217001.db2.gz WLUIHDWJKBMDRS-VXGBXAGGSA-N 2 0 343.428 -1.224 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134058230 787219356 /nfs/dbraw/zinc/21/93/56/787219356.db2.gz FWDVKSYEUFKJIZ-GFCCVEGCSA-N 2 0 343.428 -1.351 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134058231 787219631 /nfs/dbraw/zinc/21/96/31/787219631.db2.gz FWDVKSYEUFKJIZ-LBPRGKRZSA-N 2 0 343.428 -1.351 20 0 EAADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001134780567 787257376 /nfs/dbraw/zinc/25/73/76/787257376.db2.gz MBMPCWUENOXAAX-UHFFFAOYSA-N 2 0 325.413 -1.024 20 0 EAADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001134780785 787257499 /nfs/dbraw/zinc/25/74/99/787257499.db2.gz WMAPPNKXLHKBSC-UHFFFAOYSA-N 2 0 339.440 -1.618 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001135114603 787273182 /nfs/dbraw/zinc/27/31/82/787273182.db2.gz JLEKGZCELYDTSR-UHFFFAOYSA-N 2 0 325.373 -2.041 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114814 787272773 /nfs/dbraw/zinc/27/27/73/787272773.db2.gz OVQNQXJYRLJZKH-UHFFFAOYSA-N 2 0 339.400 -1.780 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCS(C)(=O)=O)cn1 ZINC001135114976 787272835 /nfs/dbraw/zinc/27/28/35/787272835.db2.gz QZQNLOHMKXZASX-UHFFFAOYSA-N 2 0 331.442 -1.191 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCN2CCNC2=O)cn1 ZINC001135117912 787273404 /nfs/dbraw/zinc/27/34/04/787273404.db2.gz BOVVCRAKFUPQKR-UHFFFAOYSA-N 2 0 337.428 -1.211 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)cn1 ZINC001135118745 787274562 /nfs/dbraw/zinc/27/45/62/787274562.db2.gz RPPZAHWPFDIGTI-UHFFFAOYSA-N 2 0 346.457 -1.687 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)NC(N)=O ZINC001135119075 787274456 /nfs/dbraw/zinc/27/44/56/787274456.db2.gz XGHZKQBAYIVPLI-JTQLQIEISA-N 2 0 339.400 -1.653 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)NC(N)=O ZINC001135119076 787274753 /nfs/dbraw/zinc/27/47/53/787274753.db2.gz XGHZKQBAYIVPLI-SNVBAGLBSA-N 2 0 339.400 -1.653 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)cn1 ZINC001135119281 787274814 /nfs/dbraw/zinc/27/48/14/787274814.db2.gz ZDCSSTGCASZKGY-GFCCVEGCSA-N 2 0 336.396 -1.431 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001135119282 787274507 /nfs/dbraw/zinc/27/45/07/787274507.db2.gz ZDCSSTGCASZKGY-LBPRGKRZSA-N 2 0 336.396 -1.431 20 0 EAADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC[NH+](C)C ZINC001135371874 787292021 /nfs/dbraw/zinc/29/20/21/787292021.db2.gz JZTFLCADOZJHIO-CHWSQXEVSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135371875 787291728 /nfs/dbraw/zinc/29/17/28/787291728.db2.gz JZTFLCADOZJHIO-OLZOCXBDSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC[NH+](C)C ZINC001135371876 787291853 /nfs/dbraw/zinc/29/18/53/787291853.db2.gz JZTFLCADOZJHIO-QWHCGFSZSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC[NH+](C)C ZINC001135371877 787291899 /nfs/dbraw/zinc/29/18/99/787291899.db2.gz JZTFLCADOZJHIO-STQMWFEESA-N 2 0 341.456 -1.231 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001135512925 787306602 /nfs/dbraw/zinc/30/66/02/787306602.db2.gz BPDBQXYZBJLQAN-GFCCVEGCSA-N 2 0 328.413 -1.456 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001135512931 787306627 /nfs/dbraw/zinc/30/66/27/787306627.db2.gz BPDBQXYZBJLQAN-LBPRGKRZSA-N 2 0 328.413 -1.456 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001135513033 787306122 /nfs/dbraw/zinc/30/61/22/787306122.db2.gz DMFRYRVCYSQFPY-UHFFFAOYSA-N 2 0 341.456 -1.242 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001135513149 787305388 /nfs/dbraw/zinc/30/53/88/787305388.db2.gz HOKZHBNVRZTXLM-UHFFFAOYSA-N 2 0 341.456 -1.275 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001135513253 787305924 /nfs/dbraw/zinc/30/59/24/787305924.db2.gz JKACJIJZSIKCBO-CYBMUJFWSA-N 2 0 341.456 -1.242 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001135513254 787306434 /nfs/dbraw/zinc/30/64/34/787306434.db2.gz JKACJIJZSIKCBO-ZDUSSCGKSA-N 2 0 341.456 -1.242 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001135513418 787305972 /nfs/dbraw/zinc/30/59/72/787305972.db2.gz OAYRHOFKWARUFR-UHFFFAOYSA-N 2 0 325.413 -1.368 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001135523802 787305209 /nfs/dbraw/zinc/30/52/09/787305209.db2.gz JZNBNYSEOUORJZ-GFCCVEGCSA-N 2 0 329.445 -1.373 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001135523803 787306675 /nfs/dbraw/zinc/30/66/75/787306675.db2.gz JZNBNYSEOUORJZ-LBPRGKRZSA-N 2 0 329.445 -1.373 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001135523807 787305600 /nfs/dbraw/zinc/30/56/00/787305600.db2.gz KBHXRVIWGMFRRJ-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001135524589 787305585 /nfs/dbraw/zinc/30/55/85/787305585.db2.gz XTKCNCVRYMFION-GFCCVEGCSA-N 2 0 345.444 -1.105 20 0 EAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001135524590 787306221 /nfs/dbraw/zinc/30/62/21/787306221.db2.gz XTKCNCVRYMFION-LBPRGKRZSA-N 2 0 345.444 -1.105 20 0 EAADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001135688363 787313818 /nfs/dbraw/zinc/31/38/18/787313818.db2.gz NIJXLBLCGYADQI-UHFFFAOYSA-N 2 0 339.440 -1.618 20 0 EAADRP CC1CC[NH+](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001135702727 787315735 /nfs/dbraw/zinc/31/57/35/787315735.db2.gz PDESZTYNMRYLNT-UHFFFAOYSA-N 2 0 325.413 -1.024 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923181 787325896 /nfs/dbraw/zinc/32/58/96/787325896.db2.gz IRYGENFEBJWQNG-NEPJUHHUSA-N 2 0 345.444 -1.107 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923182 787325987 /nfs/dbraw/zinc/32/59/87/787325987.db2.gz IRYGENFEBJWQNG-NWDGAFQWSA-N 2 0 345.444 -1.107 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923183 787325678 /nfs/dbraw/zinc/32/56/78/787325678.db2.gz IRYGENFEBJWQNG-RYUDHWBXSA-N 2 0 345.444 -1.107 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923184 787325978 /nfs/dbraw/zinc/32/59/78/787325978.db2.gz IRYGENFEBJWQNG-VXGBXAGGSA-N 2 0 345.444 -1.107 20 0 EAADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)COCC[NH+](C)C ZINC001135923473 787325695 /nfs/dbraw/zinc/32/56/95/787325695.db2.gz KXQHRRHHZFGLCP-GHMZBOCLSA-N 2 0 331.417 -1.368 20 0 EAADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001135923474 787326206 /nfs/dbraw/zinc/32/62/06/787326206.db2.gz KXQHRRHHZFGLCP-MNOVXSKESA-N 2 0 331.417 -1.368 20 0 EAADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)COCC[NH+](C)C ZINC001135923475 787325703 /nfs/dbraw/zinc/32/57/03/787325703.db2.gz KXQHRRHHZFGLCP-QWRGUYRKSA-N 2 0 331.417 -1.368 20 0 EAADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)COCC[NH+](C)C ZINC001135923476 787326376 /nfs/dbraw/zinc/32/63/76/787326376.db2.gz KXQHRRHHZFGLCP-WDEREUQCSA-N 2 0 331.417 -1.368 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958748 787326128 /nfs/dbraw/zinc/32/61/28/787326128.db2.gz DZPALYZMKFMOGK-UHFFFAOYSA-N 2 0 344.456 -1.044 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958833 787325826 /nfs/dbraw/zinc/32/58/26/787325826.db2.gz GHDOBJODRJZLPC-UHFFFAOYSA-N 2 0 343.428 -1.351 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958837 787326094 /nfs/dbraw/zinc/32/60/94/787326094.db2.gz GLIFQPOJQMWPQO-UHFFFAOYSA-N 2 0 344.456 -1.044 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958862 787325770 /nfs/dbraw/zinc/32/57/70/787325770.db2.gz HFMQDGJXOHWPOE-UHFFFAOYSA-N 2 0 329.401 -1.741 20 0 EAADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959050 787326049 /nfs/dbraw/zinc/32/60/49/787326049.db2.gz JUUMSSUYWCZAOT-AWEZNQCLSA-N 2 0 347.456 -1.173 20 0 EAADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959052 787326754 /nfs/dbraw/zinc/32/67/54/787326754.db2.gz JUUMSSUYWCZAOT-CQSZACIVSA-N 2 0 347.456 -1.173 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCN2CCNC2=O)CC1 ZINC001135959136 787325087 /nfs/dbraw/zinc/32/50/87/787325087.db2.gz LIQMHMHEKBUOMH-UHFFFAOYSA-N 2 0 327.429 -1.172 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001135959210 787326465 /nfs/dbraw/zinc/32/64/65/787326465.db2.gz LYNRFPGZMWFSEE-UHFFFAOYSA-N 2 0 342.440 -1.338 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001135959900 787325660 /nfs/dbraw/zinc/32/56/60/787325660.db2.gz VDNBSJXVSROODH-GFCCVEGCSA-N 2 0 326.397 -1.392 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001135959901 787325812 /nfs/dbraw/zinc/32/58/12/787325812.db2.gz VDNBSJXVSROODH-LBPRGKRZSA-N 2 0 326.397 -1.392 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135960089 787326701 /nfs/dbraw/zinc/32/67/01/787326701.db2.gz YGQUUXCFINTVNG-UHFFFAOYSA-N 2 0 344.456 -1.044 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963205 787325586 /nfs/dbraw/zinc/32/55/86/787325586.db2.gz AUSOIVUMBDHFAY-LLVKDONJSA-N 2 0 343.428 -1.353 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963206 787326037 /nfs/dbraw/zinc/32/60/37/787326037.db2.gz AUSOIVUMBDHFAY-NSHDSACASA-N 2 0 343.428 -1.353 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001135963209 787326567 /nfs/dbraw/zinc/32/65/67/787326567.db2.gz AXZGDGLGCIYHJM-UHFFFAOYSA-N 2 0 341.412 -1.645 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001135963246 787325135 /nfs/dbraw/zinc/32/51/35/787325135.db2.gz CGUZCZZJHTYOOY-UHFFFAOYSA-N 2 0 336.458 -1.648 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001135963436 787325756 /nfs/dbraw/zinc/32/57/56/787325756.db2.gz MBHVLYHBNLBXGU-UHFFFAOYSA-N 2 0 340.424 -1.048 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001135963635 787325192 /nfs/dbraw/zinc/32/51/92/787325192.db2.gz WYVRVBARQUCQIH-JTQLQIEISA-N 2 0 329.401 -1.614 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001135963636 787325847 /nfs/dbraw/zinc/32/58/47/787325847.db2.gz WYVRVBARQUCQIH-SNVBAGLBSA-N 2 0 329.401 -1.614 20 0 EAADRP N[C@@H]1NCN(C(=O)C2CC[NH+](Cc3ccncc3)CC2)[C@H]2NCN[C@H]21 ZINC001142349842 793047899 /nfs/dbraw/zinc/04/78/99/793047899.db2.gz NCFOYBHLBPJADG-ARFHVFGLSA-N 2 0 345.451 -1.187 20 0 EAADRP N[C@@H]1NCN(C(=O)C2CC[NH+](Cc3ccncc3)CC2)[C@H]2NCN[C@@H]21 ZINC001142349843 793047108 /nfs/dbraw/zinc/04/71/08/793047108.db2.gz NCFOYBHLBPJADG-BZUAXINKSA-N 2 0 345.451 -1.187 20 0 EAADRP N[C@@H]1NCN(C(=O)C2CC[NH+](Cc3ccncc3)CC2)[C@@H]2NCN[C@@H]21 ZINC001142349844 793048072 /nfs/dbraw/zinc/04/80/72/793048072.db2.gz NCFOYBHLBPJADG-OAGGEKHMSA-N 2 0 345.451 -1.187 20 0 EAADRP N[C@@H]1NCN(C(=O)C2CC[NH+](Cc3ccncc3)CC2)[C@@H]2NCN[C@H]21 ZINC001142349845 793047936 /nfs/dbraw/zinc/04/79/36/793047936.db2.gz NCFOYBHLBPJADG-XHSDSOJGSA-N 2 0 345.451 -1.187 20 0 EAADRP CN(CC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1)C(N)=[NH2+] ZINC001144128931 787449011 /nfs/dbraw/zinc/44/90/11/787449011.db2.gz QDNUOFRHCIVTAR-UHFFFAOYSA-N 2 0 335.412 -1.231 20 0 EAADRP CN(CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)C(N)=[NH2+] ZINC001144130734 787449056 /nfs/dbraw/zinc/44/90/56/787449056.db2.gz PHCCTTIIOLEWNV-UHFFFAOYSA-N 2 0 344.397 -1.566 20 0 EAADRP CN(CC(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)C(N)=[NH2+] ZINC001144132288 787448430 /nfs/dbraw/zinc/44/84/30/787448430.db2.gz LUWOQNMYXJFXQJ-UHFFFAOYSA-N 2 0 348.455 -1.202 20 0 EAADRP CC1(C)[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N2C(=O)C[C@H]2S1(=O)=O ZINC001146263174 787507233 /nfs/dbraw/zinc/50/72/33/787507233.db2.gz QLZKFUYXUJJEJJ-ZJUUUORDSA-N 2 0 345.425 -1.419 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001146709681 787515673 /nfs/dbraw/zinc/51/56/73/787515673.db2.gz AXLRAIQXBBCTMO-UHFFFAOYSA-N 2 0 341.456 -1.242 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001146710281 787516456 /nfs/dbraw/zinc/51/64/56/787516456.db2.gz JJTMRVLCTXZTBV-UHFFFAOYSA-N 2 0 341.456 -1.275 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001146711103 787516215 /nfs/dbraw/zinc/51/62/15/787516215.db2.gz ONUDYPDQAXQLSF-GFCCVEGCSA-N 2 0 328.413 -1.456 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001146711107 787516525 /nfs/dbraw/zinc/51/65/25/787516525.db2.gz ONUDYPDQAXQLSF-LBPRGKRZSA-N 2 0 328.413 -1.456 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001146711911 787517101 /nfs/dbraw/zinc/51/71/01/787517101.db2.gz YPWNMSRVIABHAF-UHFFFAOYSA-N 2 0 325.413 -1.368 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001146712030 787516018 /nfs/dbraw/zinc/51/60/18/787516018.db2.gz ZSTPPYQIBUONPX-CYBMUJFWSA-N 2 0 341.456 -1.242 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001146712031 787516811 /nfs/dbraw/zinc/51/68/11/787516811.db2.gz ZSTPPYQIBUONPX-ZDUSSCGKSA-N 2 0 341.456 -1.242 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001146746229 787516310 /nfs/dbraw/zinc/51/63/10/787516310.db2.gz DSPDFSMSLUYAGI-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001146746416 787515937 /nfs/dbraw/zinc/51/59/37/787515937.db2.gz GSFQKJMORXMBSP-GFCCVEGCSA-N 2 0 345.444 -1.105 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001146746417 787516407 /nfs/dbraw/zinc/51/64/07/787516407.db2.gz GSFQKJMORXMBSP-LBPRGKRZSA-N 2 0 345.444 -1.105 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001146746975 787515792 /nfs/dbraw/zinc/51/57/92/787515792.db2.gz PGLTWRDGMGAJNU-GFCCVEGCSA-N 2 0 329.445 -1.373 20 0 EAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001146746978 787516083 /nfs/dbraw/zinc/51/60/83/787516083.db2.gz PGLTWRDGMGAJNU-LBPRGKRZSA-N 2 0 329.445 -1.373 20 0 EAADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841290 787566668 /nfs/dbraw/zinc/56/66/68/787566668.db2.gz DCJLIAPGEBBXIW-UHFFFAOYSA-N 2 0 331.417 -1.494 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001147842138 787565499 /nfs/dbraw/zinc/56/54/99/787565499.db2.gz OQEXMYCEMUKYCO-UHFFFAOYSA-N 2 0 337.424 -1.018 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001147842330 787566343 /nfs/dbraw/zinc/56/63/43/787566343.db2.gz SAPAZXVXRDWDTL-UHFFFAOYSA-N 2 0 328.335 -1.051 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001147842340 787566582 /nfs/dbraw/zinc/56/65/82/787566582.db2.gz STLSPMMMAAZOOC-UHFFFAOYSA-N 2 0 330.429 -1.434 20 0 EAADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842381 787566606 /nfs/dbraw/zinc/56/66/06/787566606.db2.gz VMXBWKKZSLJRPU-LLVKDONJSA-N 2 0 331.417 -1.495 20 0 EAADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842382 787566941 /nfs/dbraw/zinc/56/69/41/787566941.db2.gz VMXBWKKZSLJRPU-NSHDSACASA-N 2 0 331.417 -1.495 20 0 EAADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147847999 787568412 /nfs/dbraw/zinc/56/84/12/787568412.db2.gz CHNKUCCUANQWRR-UHFFFAOYSA-N 2 0 338.474 -1.400 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001147848206 787567441 /nfs/dbraw/zinc/56/74/41/787567441.db2.gz IJMOLICCJLJZKT-CYBMUJFWSA-N 2 0 330.429 -1.434 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001147848208 787568336 /nfs/dbraw/zinc/56/83/36/787568336.db2.gz IJMOLICCJLJZKT-ZDUSSCGKSA-N 2 0 330.429 -1.434 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001147848234 787567791 /nfs/dbraw/zinc/56/77/91/787567791.db2.gz JASGHZRWUMWIKY-UHFFFAOYSA-N 2 0 329.401 -1.741 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001147848309 787568237 /nfs/dbraw/zinc/56/82/37/787568237.db2.gz KHWXKHVAMGQWDM-UHFFFAOYSA-N 2 0 336.458 -1.694 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001147848711 787568853 /nfs/dbraw/zinc/56/88/53/787568853.db2.gz SSLUAZMFMFQTPZ-UHFFFAOYSA-N 2 0 330.414 -1.239 20 0 EAADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848770 787568442 /nfs/dbraw/zinc/56/84/42/787568442.db2.gz VFVQAMSDQKBYTH-KBPBESRZSA-N 2 0 335.445 -1.317 20 0 EAADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848774 787567953 /nfs/dbraw/zinc/56/79/53/787567953.db2.gz VFVQAMSDQKBYTH-KGLIPLIRSA-N 2 0 335.445 -1.317 20 0 EAADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848776 787568515 /nfs/dbraw/zinc/56/85/15/787568515.db2.gz VFVQAMSDQKBYTH-UONOGXRCSA-N 2 0 335.445 -1.317 20 0 EAADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848780 787567537 /nfs/dbraw/zinc/56/75/37/787567537.db2.gz VFVQAMSDQKBYTH-ZIAGYGMSSA-N 2 0 335.445 -1.317 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001147848809 787567868 /nfs/dbraw/zinc/56/78/68/787567868.db2.gz WVJCXPKRHBEKIO-UHFFFAOYSA-N 2 0 329.401 -2.771 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001147848853 787568020 /nfs/dbraw/zinc/56/80/20/787568020.db2.gz XQQSCFABPYSZAB-ZDUSSCGKSA-N 2 0 330.429 -1.746 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001147884269 787567966 /nfs/dbraw/zinc/56/79/66/787567966.db2.gz CQGPDRLGPNROAU-GFCCVEGCSA-N 2 0 325.413 -2.008 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001147884271 787568838 /nfs/dbraw/zinc/56/88/38/787568838.db2.gz CQGPDRLGPNROAU-LBPRGKRZSA-N 2 0 325.413 -2.008 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001147891508 787568005 /nfs/dbraw/zinc/56/80/05/787568005.db2.gz AQJWAIJZSKSXPM-LLVKDONJSA-N 2 0 343.428 -1.353 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001147891509 787567844 /nfs/dbraw/zinc/56/78/44/787567844.db2.gz AQJWAIJZSKSXPM-NSHDSACASA-N 2 0 343.428 -1.353 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001147891538 787568864 /nfs/dbraw/zinc/56/88/64/787568864.db2.gz BVFWRZKGLQQJLW-UHFFFAOYSA-N 2 0 329.401 -1.788 20 0 EAADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147891931 787567583 /nfs/dbraw/zinc/56/75/83/787567583.db2.gz FHMYSUAAGIDHKF-UHFFFAOYSA-N 2 0 345.444 -1.248 20 0 EAADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)CCO1 ZINC001147892048 787568448 /nfs/dbraw/zinc/56/84/48/787568448.db2.gz HJGAFWAIKKOVNU-CYBMUJFWSA-N 2 0 330.429 -1.482 20 0 EAADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)CCO1 ZINC001147892049 787567931 /nfs/dbraw/zinc/56/79/31/787567931.db2.gz HJGAFWAIKKOVNU-ZDUSSCGKSA-N 2 0 330.429 -1.482 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001147892558 787567884 /nfs/dbraw/zinc/56/78/84/787567884.db2.gz JVCRYERQQGZVQT-UHFFFAOYSA-N 2 0 343.428 -1.399 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001147892562 787567776 /nfs/dbraw/zinc/56/77/76/787567776.db2.gz JZIXWGTVDYVOPA-CYBMUJFWSA-N 2 0 330.429 -1.577 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001147892563 787567659 /nfs/dbraw/zinc/56/76/59/787567659.db2.gz JZIXWGTVDYVOPA-ZDUSSCGKSA-N 2 0 330.429 -1.577 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001147892567 787568813 /nfs/dbraw/zinc/56/88/13/787568813.db2.gz KCPKSCKXGQADEJ-KBPBESRZSA-N 2 0 344.456 -1.046 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001147892568 787567726 /nfs/dbraw/zinc/56/77/26/787567726.db2.gz KCPKSCKXGQADEJ-KGLIPLIRSA-N 2 0 344.456 -1.046 20 0 EAADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001147892569 787568162 /nfs/dbraw/zinc/56/81/62/787568162.db2.gz KCPKSCKXGQADEJ-UONOGXRCSA-N 2 0 344.456 -1.046 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001147892570 787568570 /nfs/dbraw/zinc/56/85/70/787568570.db2.gz KCPKSCKXGQADEJ-ZIAGYGMSSA-N 2 0 344.456 -1.046 20 0 EAADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892600 787568599 /nfs/dbraw/zinc/56/85/99/787568599.db2.gz KPDORDKXLUKNEP-CYBMUJFWSA-N 2 0 332.445 -1.188 20 0 EAADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892602 787568063 /nfs/dbraw/zinc/56/80/63/787568063.db2.gz KPDORDKXLUKNEP-ZDUSSCGKSA-N 2 0 332.445 -1.188 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)N(C)C ZINC001147892941 787568402 /nfs/dbraw/zinc/56/84/02/787568402.db2.gz LYYFPCKDKHEOGJ-GFCCVEGCSA-N 2 0 345.444 -2.137 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)N(C)C ZINC001147892942 787568802 /nfs/dbraw/zinc/56/88/02/787568802.db2.gz LYYFPCKDKHEOGJ-LBPRGKRZSA-N 2 0 345.444 -2.137 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001147893006 787568501 /nfs/dbraw/zinc/56/85/01/787568501.db2.gz NOXNKSMGDIKYLD-GFCCVEGCSA-N 2 0 325.413 -1.024 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001147893007 787567891 /nfs/dbraw/zinc/56/78/91/787567891.db2.gz NOXNKSMGDIKYLD-LBPRGKRZSA-N 2 0 325.413 -1.024 20 0 EAADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893015 787567567 /nfs/dbraw/zinc/56/75/67/787567567.db2.gz NZIUSPUMUSXBBC-GFCCVEGCSA-N 2 0 345.444 -1.107 20 0 EAADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893016 787568752 /nfs/dbraw/zinc/56/87/52/787568752.db2.gz NZIUSPUMUSXBBC-LBPRGKRZSA-N 2 0 345.444 -1.107 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001147893018 787567491 /nfs/dbraw/zinc/56/74/91/787567491.db2.gz OBCWEOSBCJIQKX-AWEZNQCLSA-N 2 0 347.456 -1.173 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001147893019 787568547 /nfs/dbraw/zinc/56/85/47/787568547.db2.gz OBCWEOSBCJIQKX-CQSZACIVSA-N 2 0 347.456 -1.173 20 0 EAADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893341 787567838 /nfs/dbraw/zinc/56/78/38/787567838.db2.gz ODALOGMQQWTCPU-UHFFFAOYSA-N 2 0 338.474 -1.448 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001147893378 787567825 /nfs/dbraw/zinc/56/78/25/787567825.db2.gz PBMICZQPRLXABP-CHWSQXEVSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001147893381 787568656 /nfs/dbraw/zinc/56/86/56/787568656.db2.gz PBMICZQPRLXABP-OLZOCXBDSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001147893384 787567942 /nfs/dbraw/zinc/56/79/42/787567942.db2.gz PBMICZQPRLXABP-QWHCGFSZSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001147893387 787567859 /nfs/dbraw/zinc/56/78/59/787567859.db2.gz PBMICZQPRLXABP-STQMWFEESA-N 2 0 340.424 -1.456 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)COCC[NH+](C)C)cc(=O)n(C)c1=O ZINC001147893436 787568124 /nfs/dbraw/zinc/56/81/24/787568124.db2.gz QGOYIAQEVXBKQS-UHFFFAOYSA-N 2 0 341.412 -2.132 20 0 EAADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C[C@H](C)O1 ZINC001147893465 787568584 /nfs/dbraw/zinc/56/85/84/787568584.db2.gz QVMLKFBOZDXZMI-KBPBESRZSA-N 2 0 344.456 -1.094 20 0 EAADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C[C@H](C)O1 ZINC001147893466 787568431 /nfs/dbraw/zinc/56/84/31/787568431.db2.gz QVMLKFBOZDXZMI-OKILXGFUSA-N 2 0 344.456 -1.094 20 0 EAADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C[C@@H](C)O1 ZINC001147893468 787568720 /nfs/dbraw/zinc/56/87/20/787568720.db2.gz QVMLKFBOZDXZMI-ZIAGYGMSSA-N 2 0 344.456 -1.094 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001147893790 787567841 /nfs/dbraw/zinc/56/78/41/787567841.db2.gz TVUIZBLEMLQMRY-CABCVRRESA-N 2 0 347.456 -1.173 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001147893791 787568331 /nfs/dbraw/zinc/56/83/31/787568331.db2.gz TVUIZBLEMLQMRY-GJZGRUSLSA-N 2 0 347.456 -1.173 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001147893792 787567638 /nfs/dbraw/zinc/56/76/38/787567638.db2.gz TVUIZBLEMLQMRY-HUUCEWRRSA-N 2 0 347.456 -1.173 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001147893793 787568712 /nfs/dbraw/zinc/56/87/12/787568712.db2.gz TVUIZBLEMLQMRY-LSDHHAIUSA-N 2 0 347.456 -1.173 20 0 EAADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)n(C)n1 ZINC001147893994 787568615 /nfs/dbraw/zinc/56/86/15/787568615.db2.gz XCSHBJYTHXXLAO-UHFFFAOYSA-N 2 0 340.428 -1.049 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001147894002 787567408 /nfs/dbraw/zinc/56/74/08/787567408.db2.gz XJHHNHZWSPEDEB-UHFFFAOYSA-N 2 0 345.444 -1.105 20 0 EAADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147894153 787568483 /nfs/dbraw/zinc/56/84/83/787568483.db2.gz ZMTQKUGNUGVBFX-UHFFFAOYSA-N 2 0 345.444 -1.104 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001147894172 787568215 /nfs/dbraw/zinc/56/82/15/787568215.db2.gz ZWOUDUYQMYZINI-GFCCVEGCSA-N 2 0 344.412 -2.220 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001147894173 787568475 /nfs/dbraw/zinc/56/84/75/787568475.db2.gz ZWOUDUYQMYZINI-LBPRGKRZSA-N 2 0 344.412 -2.220 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001147899958 787570941 /nfs/dbraw/zinc/57/09/41/787570941.db2.gz DXRFGCCHJNEKII-GFCCVEGCSA-N 2 0 337.424 -1.368 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001147899959 787570910 /nfs/dbraw/zinc/57/09/10/787570910.db2.gz DXRFGCCHJNEKII-LBPRGKRZSA-N 2 0 337.424 -1.368 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147900301 787569391 /nfs/dbraw/zinc/56/93/91/787569391.db2.gz LUBYTGVDGCTBDE-CHWSQXEVSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147900302 787569700 /nfs/dbraw/zinc/56/97/00/787569700.db2.gz LUBYTGVDGCTBDE-OLZOCXBDSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147900303 787570048 /nfs/dbraw/zinc/57/00/48/787570048.db2.gz LUBYTGVDGCTBDE-QWHCGFSZSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001147900304 787569953 /nfs/dbraw/zinc/56/99/53/787569953.db2.gz LUBYTGVDGCTBDE-STQMWFEESA-N 2 0 341.456 -1.373 20 0 EAADRP O=C(NCC[NH2+]CCN1CCCS1(=O)=O)C12CC[NH+](CC1)C2 ZINC001147977041 787569127 /nfs/dbraw/zinc/56/91/27/787569127.db2.gz GYQKERHYPFWJDV-UHFFFAOYSA-N 2 0 330.454 -1.177 20 0 EAADRP O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C12CC[NH+](CC1)C2 ZINC001147994889 787572834 /nfs/dbraw/zinc/57/28/34/787572834.db2.gz UEZUIEXCBYJRGK-GFCCVEGCSA-N 2 0 338.408 -1.702 20 0 EAADRP O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C12CC[NH+](CC1)C2 ZINC001147994890 787572716 /nfs/dbraw/zinc/57/27/16/787572716.db2.gz UEZUIEXCBYJRGK-LBPRGKRZSA-N 2 0 338.408 -1.702 20 0 EAADRP Cn1c(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)cc(=O)n(C)c1=O ZINC001147999858 787571091 /nfs/dbraw/zinc/57/10/91/787571091.db2.gz GFVMIIWXYVXDPZ-UHFFFAOYSA-N 2 0 335.408 -1.614 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001148000303 787570806 /nfs/dbraw/zinc/57/08/06/787570806.db2.gz OKVDKJIIUQNGNW-GFCCVEGCSA-N 2 0 339.440 -1.619 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001148000304 787569319 /nfs/dbraw/zinc/56/93/19/787569319.db2.gz OKVDKJIIUQNGNW-LBPRGKRZSA-N 2 0 339.440 -1.619 20 0 EAADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001148051280 787571699 /nfs/dbraw/zinc/57/16/99/787571699.db2.gz GKAFJFGDTLORSP-UHFFFAOYSA-N 2 0 348.407 -1.575 20 0 EAADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001148359734 787586776 /nfs/dbraw/zinc/58/67/76/787586776.db2.gz AVUOHJBXEAMFHE-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001148365192 787585723 /nfs/dbraw/zinc/58/57/23/787585723.db2.gz KRCQTVZYQLBTLW-CYBMUJFWSA-N 2 0 342.440 -1.066 20 0 EAADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001148365193 787586080 /nfs/dbraw/zinc/58/60/80/787586080.db2.gz KRCQTVZYQLBTLW-ZDUSSCGKSA-N 2 0 342.440 -1.066 20 0 EAADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001148571188 787590980 /nfs/dbraw/zinc/59/09/80/787590980.db2.gz ZSEPXILKGKMMHZ-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001148578195 787594661 /nfs/dbraw/zinc/59/46/61/787594661.db2.gz QBFTUMSRXPSBQW-CYBMUJFWSA-N 2 0 342.440 -1.066 20 0 EAADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001148578196 787594715 /nfs/dbraw/zinc/59/47/15/787594715.db2.gz QBFTUMSRXPSBQW-ZDUSSCGKSA-N 2 0 342.440 -1.066 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001148642459 787593221 /nfs/dbraw/zinc/59/32/21/787593221.db2.gz JRFRGVIAUMGMGL-UHFFFAOYSA-N 2 0 341.456 -1.242 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001148642864 787594652 /nfs/dbraw/zinc/59/46/52/787594652.db2.gz ONGDHKJCNJHFAM-GFCCVEGCSA-N 2 0 328.413 -1.456 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001148642865 787594219 /nfs/dbraw/zinc/59/42/19/787594219.db2.gz ONGDHKJCNJHFAM-LBPRGKRZSA-N 2 0 328.413 -1.456 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001148654874 787594011 /nfs/dbraw/zinc/59/40/11/787594011.db2.gz CUKBJWGJDTVDOY-CYBMUJFWSA-N 2 0 341.456 -1.242 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001148654975 787593114 /nfs/dbraw/zinc/59/31/14/787593114.db2.gz CUKBJWGJDTVDOY-ZDUSSCGKSA-N 2 0 341.456 -1.242 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001148655189 787593669 /nfs/dbraw/zinc/59/36/69/787593669.db2.gz JOPLBFKIXIZGCY-UHFFFAOYSA-N 2 0 341.456 -1.275 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001148655293 787593544 /nfs/dbraw/zinc/59/35/44/787593544.db2.gz LFGZEURNAYWAQD-GFCCVEGCSA-N 2 0 345.444 -1.105 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001148655294 787593195 /nfs/dbraw/zinc/59/31/95/787593195.db2.gz LFGZEURNAYWAQD-LBPRGKRZSA-N 2 0 345.444 -1.105 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001148655346 787594693 /nfs/dbraw/zinc/59/46/93/787594693.db2.gz MXSLRTXZHHMEDM-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001148656244 787593898 /nfs/dbraw/zinc/59/38/98/787593898.db2.gz XXYFJZVLXMYGSO-GFCCVEGCSA-N 2 0 329.445 -1.373 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001148656245 787593617 /nfs/dbraw/zinc/59/36/17/787593617.db2.gz XXYFJZVLXMYGSO-LBPRGKRZSA-N 2 0 329.445 -1.373 20 0 EAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001148656334 787593685 /nfs/dbraw/zinc/59/36/85/787593685.db2.gz ZHQBVIHGWWGCHI-UHFFFAOYSA-N 2 0 325.413 -1.368 20 0 EAADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587741 793175286 /nfs/dbraw/zinc/17/52/86/793175286.db2.gz JONQTBSWSRBCQP-CABCVRRESA-N 2 0 347.456 -1.221 20 0 EAADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587742 793176003 /nfs/dbraw/zinc/17/60/03/793176003.db2.gz JONQTBSWSRBCQP-GJZGRUSLSA-N 2 0 347.456 -1.221 20 0 EAADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587743 793175608 /nfs/dbraw/zinc/17/56/08/793175608.db2.gz JONQTBSWSRBCQP-HUUCEWRRSA-N 2 0 347.456 -1.221 20 0 EAADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587744 793176247 /nfs/dbraw/zinc/17/62/47/793176247.db2.gz JONQTBSWSRBCQP-LSDHHAIUSA-N 2 0 347.456 -1.221 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150588350 793175524 /nfs/dbraw/zinc/17/55/24/793175524.db2.gz ODGLREXRECWHDG-HNNXBMFYSA-N 2 0 347.456 -1.219 20 0 EAADRP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150588352 793176475 /nfs/dbraw/zinc/17/64/75/793176475.db2.gz ODGLREXRECWHDG-OAHLLOKOSA-N 2 0 347.456 -1.219 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001151056524 793195297 /nfs/dbraw/zinc/19/52/97/793195297.db2.gz NRYNHEFDCROJSU-CHWSQXEVSA-N 2 0 332.470 -1.075 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001151056528 793195041 /nfs/dbraw/zinc/19/50/41/793195041.db2.gz NRYNHEFDCROJSU-OLZOCXBDSA-N 2 0 332.470 -1.075 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001151056533 793195364 /nfs/dbraw/zinc/19/53/64/793195364.db2.gz NRYNHEFDCROJSU-QWHCGFSZSA-N 2 0 332.470 -1.075 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001151056537 793194899 /nfs/dbraw/zinc/19/48/99/793194899.db2.gz NRYNHEFDCROJSU-STQMWFEESA-N 2 0 332.470 -1.075 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151064667 793197289 /nfs/dbraw/zinc/19/72/89/793197289.db2.gz CXFNNDKHQLLCSR-AWEZNQCLSA-N 2 0 339.440 -1.665 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151064668 793196310 /nfs/dbraw/zinc/19/63/10/793196310.db2.gz CXFNNDKHQLLCSR-CQSZACIVSA-N 2 0 339.440 -1.665 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001151064933 789671232 /nfs/dbraw/zinc/67/12/32/789671232.db2.gz GAKXRPGRMCOQFE-NEPJUHHUSA-N 2 0 326.397 -1.846 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001151064937 789670077 /nfs/dbraw/zinc/67/00/77/789670077.db2.gz GAKXRPGRMCOQFE-NWDGAFQWSA-N 2 0 326.397 -1.846 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001151064938 789671253 /nfs/dbraw/zinc/67/12/53/789671253.db2.gz GAKXRPGRMCOQFE-RYUDHWBXSA-N 2 0 326.397 -1.846 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001151064940 789670545 /nfs/dbraw/zinc/67/05/45/789670545.db2.gz GAKXRPGRMCOQFE-VXGBXAGGSA-N 2 0 326.397 -1.846 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001151066645 789671357 /nfs/dbraw/zinc/67/13/57/789671357.db2.gz WPNCDYJQLYJDSF-CYBMUJFWSA-N 2 0 339.440 -1.632 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001151066646 789670837 /nfs/dbraw/zinc/67/08/37/789670837.db2.gz WPNCDYJQLYJDSF-ZDUSSCGKSA-N 2 0 339.440 -1.632 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001151072912 789672197 /nfs/dbraw/zinc/67/21/97/789672197.db2.gz ABCRAYLJPSRQDK-LLVKDONJSA-N 2 0 325.413 -1.026 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001151072913 793196159 /nfs/dbraw/zinc/19/61/59/793196159.db2.gz ABCRAYLJPSRQDK-NSHDSACASA-N 2 0 325.413 -1.026 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072916 793197458 /nfs/dbraw/zinc/19/74/58/793197458.db2.gz AFPVBABRQKREBM-NEPJUHHUSA-N 2 0 343.428 -1.495 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072917 793197383 /nfs/dbraw/zinc/19/73/83/793197383.db2.gz AFPVBABRQKREBM-NWDGAFQWSA-N 2 0 343.428 -1.495 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072918 793197100 /nfs/dbraw/zinc/19/71/00/793197100.db2.gz AFPVBABRQKREBM-RYUDHWBXSA-N 2 0 343.428 -1.495 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072919 793197275 /nfs/dbraw/zinc/19/72/75/793197275.db2.gz AFPVBABRQKREBM-VXGBXAGGSA-N 2 0 343.428 -1.495 20 0 EAADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073464 793196865 /nfs/dbraw/zinc/19/68/65/793196865.db2.gz LRTCDWGLAKZINS-CYBMUJFWSA-N 2 0 341.456 -1.372 20 0 EAADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073465 793196669 /nfs/dbraw/zinc/19/66/69/793196669.db2.gz LRTCDWGLAKZINS-ZDUSSCGKSA-N 2 0 341.456 -1.372 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001151073857 793197203 /nfs/dbraw/zinc/19/72/03/793197203.db2.gz RERNTDSJGYKQDE-CYBMUJFWSA-N 2 0 339.440 -1.618 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001151073859 793196932 /nfs/dbraw/zinc/19/69/32/793196932.db2.gz RERNTDSJGYKQDE-ZDUSSCGKSA-N 2 0 339.440 -1.618 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001151074100 793197590 /nfs/dbraw/zinc/19/75/90/793197590.db2.gz VEYGIPZUXWXXJB-CHWSQXEVSA-N 2 0 339.440 -1.632 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001151074101 793196750 /nfs/dbraw/zinc/19/67/50/793196750.db2.gz VEYGIPZUXWXXJB-OLZOCXBDSA-N 2 0 339.440 -1.632 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001151074102 793196647 /nfs/dbraw/zinc/19/66/47/793196647.db2.gz VEYGIPZUXWXXJB-QWHCGFSZSA-N 2 0 339.440 -1.632 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001151074103 793196450 /nfs/dbraw/zinc/19/64/50/793196450.db2.gz VEYGIPZUXWXXJB-STQMWFEESA-N 2 0 339.440 -1.632 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151074146 793196608 /nfs/dbraw/zinc/19/66/08/793196608.db2.gz WFFBHFHRJZHCAR-NEPJUHHUSA-N 2 0 327.429 -1.763 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151074149 793197012 /nfs/dbraw/zinc/19/70/12/793197012.db2.gz WFFBHFHRJZHCAR-NWDGAFQWSA-N 2 0 327.429 -1.763 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151074150 793197356 /nfs/dbraw/zinc/19/73/56/793197356.db2.gz WFFBHFHRJZHCAR-RYUDHWBXSA-N 2 0 327.429 -1.763 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001151074152 793196712 /nfs/dbraw/zinc/19/67/12/793196712.db2.gz WFFBHFHRJZHCAR-VXGBXAGGSA-N 2 0 327.429 -1.763 20 0 EAADRP CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098103 789679804 /nfs/dbraw/zinc/67/98/04/789679804.db2.gz ULYVITMOIFXVJT-UHFFFAOYSA-N 2 0 341.456 -1.181 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001151101139 793197513 /nfs/dbraw/zinc/19/75/13/793197513.db2.gz NNIIYUAAJCMIRS-UHFFFAOYSA-N 2 0 339.440 -1.521 20 0 EAADRP NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001151101195 793197524 /nfs/dbraw/zinc/19/75/24/793197524.db2.gz PUJDJUUFOGPDMG-UHFFFAOYSA-N 2 0 339.440 -1.488 20 0 EAADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001151101801 793197046 /nfs/dbraw/zinc/19/70/46/793197046.db2.gz WWBQSFROYHIXEE-GFCCVEGCSA-N 2 0 326.397 -1.702 20 0 EAADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001151101803 793196737 /nfs/dbraw/zinc/19/67/37/793196737.db2.gz WWBQSFROYHIXEE-LBPRGKRZSA-N 2 0 326.397 -1.702 20 0 EAADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106569 793197072 /nfs/dbraw/zinc/19/70/72/793197072.db2.gz CIMSTFGMQWCDPY-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)C[NH+]2CCCC2)C1 ZINC001151106601 793196400 /nfs/dbraw/zinc/19/64/00/793196400.db2.gz DNDMNGMVDHDJHA-CYBMUJFWSA-N 2 0 339.440 -1.488 20 0 EAADRP NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)C[NH+]2CCCC2)C1 ZINC001151106602 793196923 /nfs/dbraw/zinc/19/69/23/793196923.db2.gz DNDMNGMVDHDJHA-ZDUSSCGKSA-N 2 0 339.440 -1.488 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106811 793195970 /nfs/dbraw/zinc/19/59/70/793195970.db2.gz IUSOMJBLDVWGDA-GFCCVEGCSA-N 2 0 343.428 -1.351 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106812 793196491 /nfs/dbraw/zinc/19/64/91/793196491.db2.gz IUSOMJBLDVWGDA-LBPRGKRZSA-N 2 0 343.428 -1.351 20 0 EAADRP O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NCC(=O)N1CCCC1 ZINC001151106820 793197246 /nfs/dbraw/zinc/19/72/46/793197246.db2.gz JCHZUXIRVXPMIN-UHFFFAOYSA-N 2 0 339.440 -1.473 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001151107406 793197622 /nfs/dbraw/zinc/19/76/22/793197622.db2.gz USSVHACGSSOAJS-GFCCVEGCSA-N 2 0 327.429 -1.619 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001151107407 793196546 /nfs/dbraw/zinc/19/65/46/793196546.db2.gz USSVHACGSSOAJS-LBPRGKRZSA-N 2 0 327.429 -1.619 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151152262 793198512 /nfs/dbraw/zinc/19/85/12/793198512.db2.gz MKTWYTIRRZUPTL-AWEZNQCLSA-N 2 0 344.456 -1.187 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151152263 793198147 /nfs/dbraw/zinc/19/81/47/793198147.db2.gz MKTWYTIRRZUPTL-CQSZACIVSA-N 2 0 344.456 -1.187 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001151156342 793199235 /nfs/dbraw/zinc/19/92/35/793199235.db2.gz AOFVKWCUAQAVQI-CYBMUJFWSA-N 2 0 327.429 -1.314 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001151156343 793199398 /nfs/dbraw/zinc/19/93/98/793199398.db2.gz AOFVKWCUAQAVQI-ZDUSSCGKSA-N 2 0 327.429 -1.314 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156478 793198879 /nfs/dbraw/zinc/19/88/79/793198879.db2.gz DKSPDOJCTSRNGS-LLVKDONJSA-N 2 0 329.401 -1.884 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156479 793198987 /nfs/dbraw/zinc/19/89/87/793198987.db2.gz DKSPDOJCTSRNGS-NSHDSACASA-N 2 0 329.401 -1.884 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156518 793199379 /nfs/dbraw/zinc/19/93/79/793199379.db2.gz FJULUMJAYJJJPP-GFCCVEGCSA-N 2 0 343.428 -1.494 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156519 793198239 /nfs/dbraw/zinc/19/82/39/793198239.db2.gz FJULUMJAYJJJPP-LBPRGKRZSA-N 2 0 343.428 -1.494 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151156727 793199334 /nfs/dbraw/zinc/19/93/34/793199334.db2.gz GPKHYRSYUWUDLK-GFCCVEGCSA-N 2 0 341.412 -1.788 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151156733 793198209 /nfs/dbraw/zinc/19/82/09/793198209.db2.gz GPKHYRSYUWUDLK-LBPRGKRZSA-N 2 0 341.412 -1.788 20 0 EAADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156958 793199593 /nfs/dbraw/zinc/19/95/93/793199593.db2.gz IMUVHGWUZRYKJJ-CABCVRRESA-N 2 0 347.456 -1.316 20 0 EAADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156971 793199059 /nfs/dbraw/zinc/19/90/59/793199059.db2.gz IMUVHGWUZRYKJJ-GJZGRUSLSA-N 2 0 347.456 -1.316 20 0 EAADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156973 793199180 /nfs/dbraw/zinc/19/91/80/793199180.db2.gz IMUVHGWUZRYKJJ-HUUCEWRRSA-N 2 0 347.456 -1.316 20 0 EAADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156975 793199317 /nfs/dbraw/zinc/19/93/17/793199317.db2.gz IMUVHGWUZRYKJJ-LSDHHAIUSA-N 2 0 347.456 -1.316 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151157357 793199209 /nfs/dbraw/zinc/19/92/09/793199209.db2.gz KNXOFMOMTAXVPK-AWEZNQCLSA-N 2 0 344.456 -1.187 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151157358 793198390 /nfs/dbraw/zinc/19/83/90/793198390.db2.gz KNXOFMOMTAXVPK-CQSZACIVSA-N 2 0 344.456 -1.187 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001151157382 793199447 /nfs/dbraw/zinc/19/94/47/793199447.db2.gz KQPMOMUSQYKUMR-NEPJUHHUSA-N 2 0 326.397 -1.534 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151157384 793198429 /nfs/dbraw/zinc/19/84/29/793198429.db2.gz KQPMOMUSQYKUMR-NWDGAFQWSA-N 2 0 326.397 -1.534 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001151157385 793199091 /nfs/dbraw/zinc/19/90/91/793199091.db2.gz KQPMOMUSQYKUMR-RYUDHWBXSA-N 2 0 326.397 -1.534 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151157388 793198269 /nfs/dbraw/zinc/19/82/69/793198269.db2.gz KQPMOMUSQYKUMR-VXGBXAGGSA-N 2 0 326.397 -1.534 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151157415 793198906 /nfs/dbraw/zinc/19/89/06/793198906.db2.gz KVYLIGFRIYSPKI-AWEZNQCLSA-N 2 0 342.440 -1.481 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151157417 793199347 /nfs/dbraw/zinc/19/93/47/793199347.db2.gz KVYLIGFRIYSPKI-CQSZACIVSA-N 2 0 342.440 -1.481 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001151157429 793199620 /nfs/dbraw/zinc/19/96/20/793199620.db2.gz KYEJBUGXRVLFCM-CYBMUJFWSA-N 2 0 340.424 -1.191 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001151157431 793199693 /nfs/dbraw/zinc/19/96/93/793199693.db2.gz KYEJBUGXRVLFCM-ZDUSSCGKSA-N 2 0 340.424 -1.191 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151157918 793198067 /nfs/dbraw/zinc/19/80/67/793198067.db2.gz MSKJPDWKMOOOGW-AWEZNQCLSA-N 2 0 344.456 -1.187 20 0 EAADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151157919 793198958 /nfs/dbraw/zinc/19/89/58/793198958.db2.gz MSKJPDWKMOOOGW-CQSZACIVSA-N 2 0 344.456 -1.187 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001151158183 793199129 /nfs/dbraw/zinc/19/91/29/793199129.db2.gz OOJAZFGOBGBYIR-GFCCVEGCSA-N 2 0 336.458 -1.790 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001151158191 793198821 /nfs/dbraw/zinc/19/88/21/793198821.db2.gz OOJAZFGOBGBYIR-LBPRGKRZSA-N 2 0 336.458 -1.790 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001151159439 789683677 /nfs/dbraw/zinc/68/36/77/789683677.db2.gz TVZPHCFJTIMGSK-CABCVRRESA-N 2 0 339.440 -1.082 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001151159443 789683915 /nfs/dbraw/zinc/68/39/15/789683915.db2.gz TVZPHCFJTIMGSK-GJZGRUSLSA-N 2 0 339.440 -1.082 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001151159446 789683116 /nfs/dbraw/zinc/68/31/16/789683116.db2.gz TVZPHCFJTIMGSK-HUUCEWRRSA-N 2 0 339.440 -1.082 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001151159448 789683355 /nfs/dbraw/zinc/68/33/55/789683355.db2.gz TVZPHCFJTIMGSK-LSDHHAIUSA-N 2 0 339.440 -1.082 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159809 793198488 /nfs/dbraw/zinc/19/84/88/793198488.db2.gz UHFYXVUOVYLUNQ-NEPJUHHUSA-N 2 0 343.428 -1.495 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159810 793198357 /nfs/dbraw/zinc/19/83/57/793198357.db2.gz UHFYXVUOVYLUNQ-NWDGAFQWSA-N 2 0 343.428 -1.495 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159811 793199802 /nfs/dbraw/zinc/19/98/02/793199802.db2.gz UHFYXVUOVYLUNQ-RYUDHWBXSA-N 2 0 343.428 -1.495 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159812 793199151 /nfs/dbraw/zinc/19/91/51/793199151.db2.gz UHFYXVUOVYLUNQ-VXGBXAGGSA-N 2 0 343.428 -1.495 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001151159890 793198572 /nfs/dbraw/zinc/19/85/72/793198572.db2.gz VEEXYYZXSWSJHY-GHMZBOCLSA-N 2 0 329.401 -1.756 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001151159894 793199266 /nfs/dbraw/zinc/19/92/66/793199266.db2.gz VEEXYYZXSWSJHY-MNOVXSKESA-N 2 0 329.401 -1.756 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001151159895 793199602 /nfs/dbraw/zinc/19/96/02/793199602.db2.gz VEEXYYZXSWSJHY-QWRGUYRKSA-N 2 0 329.401 -1.756 20 0 EAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001151159897 793199516 /nfs/dbraw/zinc/19/95/16/793199516.db2.gz VEEXYYZXSWSJHY-WDEREUQCSA-N 2 0 329.401 -1.756 20 0 EAADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C[NH+](C)C ZINC001151536442 793209935 /nfs/dbraw/zinc/20/99/35/793209935.db2.gz PSACJZBEGANJSW-UTUOFQBUSA-N 2 0 325.413 -1.218 20 0 EAADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152149173 790974007 /nfs/dbraw/zinc/97/40/07/790974007.db2.gz VXNDCDSHJUTNNP-BETUJISGSA-N 2 0 339.440 -1.477 20 0 EAADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152149174 790973854 /nfs/dbraw/zinc/97/38/54/790973854.db2.gz VXNDCDSHJUTNNP-CHWSQXEVSA-N 2 0 339.440 -1.477 20 0 EAADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152149175 793221066 /nfs/dbraw/zinc/22/10/66/793221066.db2.gz VXNDCDSHJUTNNP-STQMWFEESA-N 2 0 339.440 -1.477 20 0 EAADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152339863 791161403 /nfs/dbraw/zinc/16/14/03/791161403.db2.gz CXTXHUWPXSDBPE-UHFFFAOYSA-N 2 0 339.440 -1.473 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001152432515 793234987 /nfs/dbraw/zinc/23/49/87/793234987.db2.gz IZTIGBWWHNCVTH-GFCCVEGCSA-N 2 0 328.413 -1.458 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001152432516 791206389 /nfs/dbraw/zinc/20/63/89/791206389.db2.gz IZTIGBWWHNCVTH-LBPRGKRZSA-N 2 0 328.413 -1.458 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001152433244 793233605 /nfs/dbraw/zinc/23/36/05/793233605.db2.gz ZIKBYNWYOMSMHI-UHFFFAOYSA-N 2 0 341.456 -1.244 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001152444893 793233689 /nfs/dbraw/zinc/23/36/89/793233689.db2.gz AZUGOWLBACLSGA-UHFFFAOYSA-N 2 0 341.456 -1.229 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152444910 793233733 /nfs/dbraw/zinc/23/37/33/793233733.db2.gz BISJQHBDYAMSNW-GFCCVEGCSA-N 2 0 345.444 -1.107 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152444911 793233991 /nfs/dbraw/zinc/23/39/91/793233991.db2.gz BISJQHBDYAMSNW-LBPRGKRZSA-N 2 0 345.444 -1.107 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001152444945 793233915 /nfs/dbraw/zinc/23/39/15/793233915.db2.gz CUDVOFOGYFPDAW-UHFFFAOYSA-N 2 0 325.413 -1.370 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001152445695 793234028 /nfs/dbraw/zinc/23/40/28/793234028.db2.gz NAVQEORUSAERHJ-UHFFFAOYSA-N 2 0 341.456 -1.277 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001152445883 793234205 /nfs/dbraw/zinc/23/42/05/793234205.db2.gz QFTSHPJVOWHWNY-GFCCVEGCSA-N 2 0 329.445 -1.375 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001152445884 793234789 /nfs/dbraw/zinc/23/47/89/793234789.db2.gz QFTSHPJVOWHWNY-LBPRGKRZSA-N 2 0 329.445 -1.375 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001152446281 793233453 /nfs/dbraw/zinc/23/34/53/793233453.db2.gz WJIVTWVQHXMOGO-CYBMUJFWSA-N 2 0 341.456 -1.244 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001152446283 793233941 /nfs/dbraw/zinc/23/39/41/793233941.db2.gz WJIVTWVQHXMOGO-ZDUSSCGKSA-N 2 0 341.456 -1.244 20 0 EAADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152452225 793234599 /nfs/dbraw/zinc/23/45/99/793234599.db2.gz XCCYBCNPUVNQMH-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152452226 793234462 /nfs/dbraw/zinc/23/44/62/793234462.db2.gz XCCYBCNPUVNQMH-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001154771073 786432097 /nfs/dbraw/zinc/43/20/97/786432097.db2.gz YWIHUBYPDJYKNR-UHFFFAOYSA-N 2 0 327.410 -1.148 20 0 EAADRP CS(=O)(=O)c1nc2c(c(N[C@@H]3COC[C@@H]3[NH3+])n1)CC[NH2+]CC2 ZINC001155345967 793297652 /nfs/dbraw/zinc/29/76/52/793297652.db2.gz DMTZFEZJNJNZHA-GXSJLCMTSA-N 2 0 327.410 -1.294 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001155789489 793302644 /nfs/dbraw/zinc/30/26/44/793302644.db2.gz DDJZGWHIVFFIRA-GFCCVEGCSA-N 2 0 325.413 -1.865 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001155789494 793303736 /nfs/dbraw/zinc/30/37/36/793303736.db2.gz DDJZGWHIVFFIRA-LBPRGKRZSA-N 2 0 325.413 -1.865 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001155802901 793303095 /nfs/dbraw/zinc/30/30/95/793303095.db2.gz QAYDMEMUWBTCFW-CHWSQXEVSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001155802902 793302454 /nfs/dbraw/zinc/30/24/54/793302454.db2.gz QAYDMEMUWBTCFW-OLZOCXBDSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001155802903 793302298 /nfs/dbraw/zinc/30/22/98/793302298.db2.gz QAYDMEMUWBTCFW-QWHCGFSZSA-N 2 0 341.456 -1.231 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001155802904 793303165 /nfs/dbraw/zinc/30/31/65/793303165.db2.gz QAYDMEMUWBTCFW-STQMWFEESA-N 2 0 341.456 -1.231 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001155810459 793303822 /nfs/dbraw/zinc/30/38/22/793303822.db2.gz BCANDBUCGODERK-CHWSQXEVSA-N 2 0 340.424 -1.314 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001155810460 793302881 /nfs/dbraw/zinc/30/28/81/793302881.db2.gz BCANDBUCGODERK-OLZOCXBDSA-N 2 0 340.424 -1.314 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001155810461 793303335 /nfs/dbraw/zinc/30/33/35/793303335.db2.gz BCANDBUCGODERK-QWHCGFSZSA-N 2 0 340.424 -1.314 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001155810462 793302948 /nfs/dbraw/zinc/30/29/48/793302948.db2.gz BCANDBUCGODERK-STQMWFEESA-N 2 0 340.424 -1.314 20 0 EAADRP Cn1c(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)cc(=O)n(C)c1=O ZINC001155822335 793302214 /nfs/dbraw/zinc/30/22/14/793302214.db2.gz NZAPUIPSAMETOP-CYBMUJFWSA-N 2 0 337.424 -1.226 20 0 EAADRP Cn1c(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)cc(=O)n(C)c1=O ZINC001155822336 793302743 /nfs/dbraw/zinc/30/27/43/793302743.db2.gz NZAPUIPSAMETOP-ZDUSSCGKSA-N 2 0 337.424 -1.226 20 0 EAADRP CS(=O)(=O)c1nc2c(c(N(CC[NH3+])CCO)n1)CC[NH2+]CC2 ZINC001155947827 793306377 /nfs/dbraw/zinc/30/63/77/793306377.db2.gz AMAGEOVOUHJQNU-UHFFFAOYSA-N 2 0 329.426 -1.674 20 0 EAADRP CN(c1ncccc1C(=O)N1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001156238302 793312348 /nfs/dbraw/zinc/31/23/48/793312348.db2.gz HXPACLWEMRYMRY-UHFFFAOYSA-N 2 0 327.410 -1.148 20 0 EAADRP CS(=O)(=O)c1nc2c(c(-n3nnc(CC[NH3+])n3)n1)CC[NH2+]CC2 ZINC001156986191 786623509 /nfs/dbraw/zinc/62/35/09/786623509.db2.gz SGFKOZYBHGROJH-UHFFFAOYSA-N 2 0 338.397 -1.955 20 0 EAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157303531 793328974 /nfs/dbraw/zinc/32/89/74/793328974.db2.gz IXYCVPCVHVXXSU-KBPBESRZSA-N 2 0 349.435 -1.228 20 0 EAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157303575 793330127 /nfs/dbraw/zinc/33/01/27/793330127.db2.gz KDLJUHJKRSAHHF-OLZOCXBDSA-N 2 0 335.408 -1.618 20 0 EAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157303576 793329290 /nfs/dbraw/zinc/32/92/90/793329290.db2.gz KDLJUHJKRSAHHF-STQMWFEESA-N 2 0 335.408 -1.618 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157323607 793331397 /nfs/dbraw/zinc/33/13/97/793331397.db2.gz LDFPTWLCOVLTKW-MNOVXSKESA-N 2 0 346.453 -1.877 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001157323608 793331817 /nfs/dbraw/zinc/33/18/17/793331817.db2.gz LDFPTWLCOVLTKW-QWRGUYRKSA-N 2 0 346.453 -1.877 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157323882 793331205 /nfs/dbraw/zinc/33/12/05/793331205.db2.gz ZLCAMATXHMSNIZ-NEPJUHHUSA-N 2 0 339.440 -1.538 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001157323883 793331028 /nfs/dbraw/zinc/33/10/28/793331028.db2.gz ZLCAMATXHMSNIZ-RYUDHWBXSA-N 2 0 339.440 -1.538 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001157324316 793331318 /nfs/dbraw/zinc/33/13/18/793331318.db2.gz VPIIDLSQYBQIOD-JTQLQIEISA-N 2 0 337.446 -2.434 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001157324362 793330575 /nfs/dbraw/zinc/33/05/75/793330575.db2.gz XJEHZSJBRUAJJJ-ZDUSSCGKSA-N 2 0 341.456 -1.066 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC001157324519 793331839 /nfs/dbraw/zinc/33/18/39/793331839.db2.gz ZHHWFKXDMJWKCU-RYUDHWBXSA-N 2 0 329.445 -1.164 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157334971 793331183 /nfs/dbraw/zinc/33/11/83/793331183.db2.gz BIRDRKKPXMULRT-RYUDHWBXSA-N 2 0 327.429 -1.314 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001157335413 793330740 /nfs/dbraw/zinc/33/07/40/793330740.db2.gz HREKWZOYFRMWNG-RYUDHWBXSA-N 2 0 329.445 -1.164 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001157337027 793330722 /nfs/dbraw/zinc/33/07/22/793330722.db2.gz SQBMRDRBOMFTAF-SRVKXCTJSA-N 2 0 327.429 -1.316 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001157337071 793331682 /nfs/dbraw/zinc/33/16/82/793331682.db2.gz UBJYQLNVBJZJJY-STQMWFEESA-N 2 0 329.445 -1.020 20 0 EAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157337511 793331423 /nfs/dbraw/zinc/33/14/23/793331423.db2.gz WUNQSIXNFAISDR-GVXVVHGQSA-N 2 0 329.445 -1.164 20 0 EAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157344025 793330566 /nfs/dbraw/zinc/33/05/66/793330566.db2.gz AWVOXSHJXGWYPS-UTUOFQBUSA-N 2 0 328.413 -1.255 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001157344124 793331660 /nfs/dbraw/zinc/33/16/60/793331660.db2.gz FZYUZKWZPDGBAT-LBPRGKRZSA-N 2 0 349.439 -1.140 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001157344231 793331276 /nfs/dbraw/zinc/33/12/76/793331276.db2.gz HVWIXOHWXVLJQF-OLZOCXBDSA-N 2 0 328.461 -1.903 20 0 EAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001157344236 793330758 /nfs/dbraw/zinc/33/07/58/793330758.db2.gz HVWIXOHWXVLJQF-STQMWFEESA-N 2 0 328.461 -1.903 20 0 EAADRP [NH3+]CCCC[C@H](NC(=O)/C=C/C(=O)NCC[NH3+])C(=O)N1CCCC1 ZINC001157369204 793332594 /nfs/dbraw/zinc/33/25/94/793332594.db2.gz RLQAQAHDKJDYRU-YBJDMEARSA-N 2 0 339.440 -1.146 20 0 EAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001157448706 793334049 /nfs/dbraw/zinc/33/40/49/793334049.db2.gz GXILREICZOGKOO-QWRGUYRKSA-N 2 0 344.412 -1.916 20 0 EAADRP CCOC(=O)c1c[nH]nc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157448710 793333826 /nfs/dbraw/zinc/33/38/26/793333826.db2.gz HDTZBHWFEZJFSY-GFCCVEGCSA-N 2 0 338.412 -1.047 20 0 EAADRP CCOC(=O)c1c[nH]nc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157448711 793334645 /nfs/dbraw/zinc/33/46/45/793334645.db2.gz HDTZBHWFEZJFSY-LBPRGKRZSA-N 2 0 338.412 -1.047 20 0 EAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001157449368 793334328 /nfs/dbraw/zinc/33/43/28/793334328.db2.gz ZSYQAPQGKHICEE-GFCCVEGCSA-N 2 0 340.424 -1.410 20 0 EAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001157449369 793334764 /nfs/dbraw/zinc/33/47/64/793334764.db2.gz ZSYQAPQGKHICEE-LBPRGKRZSA-N 2 0 340.424 -1.410 20 0 EAADRP CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1=O ZINC001157485895 793336660 /nfs/dbraw/zinc/33/66/60/793336660.db2.gz PVHJNMIZOOHLJV-STQMWFEESA-N 2 0 339.440 -1.266 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496383 793336000 /nfs/dbraw/zinc/33/60/00/793336000.db2.gz DAOXDZIMZWRAFQ-NWDGAFQWSA-N 2 0 330.454 -1.145 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496384 793335361 /nfs/dbraw/zinc/33/53/61/793335361.db2.gz DAOXDZIMZWRAFQ-RYUDHWBXSA-N 2 0 330.454 -1.145 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157536290 786737169 /nfs/dbraw/zinc/73/71/69/786737169.db2.gz KSZFDDGDWNBWCN-SFYZADRCSA-N 2 0 332.336 -4.199 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157537621 793337032 /nfs/dbraw/zinc/33/70/32/793337032.db2.gz CHJOPLGSKBDRBM-VOAKCMCISA-N 3 0 329.420 -1.059 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545371 793336853 /nfs/dbraw/zinc/33/68/53/793336853.db2.gz RHLXTGOAEVCHEJ-VLEAKVRGSA-N 2 0 329.376 -2.052 20 0 EAADRP CC1([NH3+])CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001157650461 793336824 /nfs/dbraw/zinc/33/68/24/793336824.db2.gz ACDQERXVEYNDRF-STQMWFEESA-N 2 0 336.392 -1.701 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC([NH+](C)C)C1 ZINC001157688885 793339732 /nfs/dbraw/zinc/33/97/32/793339732.db2.gz NHRONCRVORYZCA-JQWIXIFHSA-N 2 0 325.413 -1.787 20 0 EAADRP C[NH+](C)C1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001157688893 786777835 /nfs/dbraw/zinc/77/78/35/786777835.db2.gz NWKQHGPKNSETLK-UHFFFAOYSA-N 2 0 328.373 -3.934 20 0 EAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157716580 793338679 /nfs/dbraw/zinc/33/86/79/793338679.db2.gz PNRJTRXWWSONCK-NEPJUHHUSA-N 2 0 335.412 -1.629 20 0 EAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157716583 793339283 /nfs/dbraw/zinc/33/92/83/793339283.db2.gz PNRJTRXWWSONCK-NWDGAFQWSA-N 2 0 335.412 -1.629 20 0 EAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157716585 793339837 /nfs/dbraw/zinc/33/98/37/793339837.db2.gz PNRJTRXWWSONCK-RYUDHWBXSA-N 2 0 335.412 -1.629 20 0 EAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157716588 793339298 /nfs/dbraw/zinc/33/92/98/793339298.db2.gz PNRJTRXWWSONCK-VXGBXAGGSA-N 2 0 335.412 -1.629 20 0 EAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157716939 793339940 /nfs/dbraw/zinc/33/99/40/793339940.db2.gz UNNZCYWOFOHQKE-KBPBESRZSA-N 3 0 326.441 -1.114 20 0 EAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157716940 793339453 /nfs/dbraw/zinc/33/94/53/793339453.db2.gz UNNZCYWOFOHQKE-KGLIPLIRSA-N 3 0 326.441 -1.114 20 0 EAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157716941 793339428 /nfs/dbraw/zinc/33/94/28/793339428.db2.gz UNNZCYWOFOHQKE-UONOGXRCSA-N 3 0 326.441 -1.114 20 0 EAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157716942 793338821 /nfs/dbraw/zinc/33/88/21/793338821.db2.gz UNNZCYWOFOHQKE-ZIAGYGMSSA-N 3 0 326.441 -1.114 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)C[C@@H]1C[NH2+]CCO1)C(N)=O ZINC001157720233 793340298 /nfs/dbraw/zinc/34/02/98/793340298.db2.gz DBUIBHXBSJCDMW-GARJFASQSA-N 2 0 329.401 -2.469 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)C[C@H]1C[NH2+]CCO1)C(N)=O ZINC001157720234 793339318 /nfs/dbraw/zinc/33/93/18/793339318.db2.gz DBUIBHXBSJCDMW-HBNTYKKESA-N 2 0 329.401 -2.469 20 0 EAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157720400 793338959 /nfs/dbraw/zinc/33/89/59/793338959.db2.gz IJNIJFYKBROFGE-NEPJUHHUSA-N 2 0 330.429 -1.308 20 0 EAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157720401 793340178 /nfs/dbraw/zinc/34/01/78/793340178.db2.gz IJNIJFYKBROFGE-RYUDHWBXSA-N 2 0 330.429 -1.308 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(C)C[C@@H]2C[NH2+]CCO2)COC1(C)C ZINC001157721375 793338878 /nfs/dbraw/zinc/33/88/78/793338878.db2.gz XFTHWHDNVMWEED-SRVKXCTJSA-N 2 0 328.413 -1.256 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(C)C[C@H]2C[NH2+]CCO2)COC1(C)C ZINC001157721377 793339509 /nfs/dbraw/zinc/33/95/09/793339509.db2.gz XFTHWHDNVMWEED-TUAOUCFPSA-N 2 0 328.413 -1.256 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157756316 793339401 /nfs/dbraw/zinc/33/94/01/793339401.db2.gz XAVDSSKKOCESDW-BHDSKKPTSA-N 2 0 331.392 -1.627 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157756317 793338623 /nfs/dbraw/zinc/33/86/23/793338623.db2.gz XAVDSSKKOCESDW-PKFCDNJMSA-N 2 0 331.392 -1.627 20 0 EAADRP C[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]1[NH3+] ZINC001157800112 793340058 /nfs/dbraw/zinc/34/00/58/793340058.db2.gz YCYUESUOJBJTPT-ZJUUUORDSA-N 2 0 342.400 -3.511 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810479 793339795 /nfs/dbraw/zinc/33/97/95/793339795.db2.gz PBQDFAWWNOXJLD-VOAKCMCISA-N 2 0 339.440 -1.364 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C)C(N)=O ZINC001157840924 793340315 /nfs/dbraw/zinc/34/03/15/793340315.db2.gz DEJMHOGTXRIFST-FIQHERPVSA-N 2 0 327.429 -1.330 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@H](C[NH3+])[C@H]1C)C(N)=O ZINC001157840925 793339995 /nfs/dbraw/zinc/33/99/95/793339995.db2.gz DEJMHOGTXRIFST-IRCOFANPSA-N 2 0 327.429 -1.330 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@H](C[NH3+])[C@@H]1C)C(N)=O ZINC001157840926 793340730 /nfs/dbraw/zinc/34/07/30/793340730.db2.gz DEJMHOGTXRIFST-NNYUYHANSA-N 2 0 327.429 -1.330 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@H](C[NH3+])[C@H]1C)C(N)=O ZINC001157840927 793340860 /nfs/dbraw/zinc/34/08/60/793340860.db2.gz DEJMHOGTXRIFST-WHOHXGKFSA-N 2 0 327.429 -1.330 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157972038 793345727 /nfs/dbraw/zinc/34/57/27/793345727.db2.gz ILPOJXJHKMDMKA-FPMFFAJLSA-N 2 0 347.419 -1.133 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157972039 793346534 /nfs/dbraw/zinc/34/65/34/793346534.db2.gz ILPOJXJHKMDMKA-UBHSHLNASA-N 2 0 347.419 -1.133 20 0 EAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158007025 793348683 /nfs/dbraw/zinc/34/86/83/793348683.db2.gz QAVPMHZUCRIADT-CHWSQXEVSA-N 2 0 327.429 -1.900 20 0 EAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158007026 793347655 /nfs/dbraw/zinc/34/76/55/793347655.db2.gz QAVPMHZUCRIADT-OLZOCXBDSA-N 2 0 327.429 -1.900 20 0 EAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158007027 793347488 /nfs/dbraw/zinc/34/74/88/793347488.db2.gz QAVPMHZUCRIADT-QWHCGFSZSA-N 2 0 327.429 -1.900 20 0 EAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158007028 793348352 /nfs/dbraw/zinc/34/83/52/793348352.db2.gz QAVPMHZUCRIADT-STQMWFEESA-N 2 0 327.429 -1.900 20 0 EAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070141 793349252 /nfs/dbraw/zinc/34/92/52/793349252.db2.gz BSMQNPDQYNZWRE-GFCCVEGCSA-N 2 0 343.449 -1.256 20 0 EAADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070142 793350160 /nfs/dbraw/zinc/35/01/60/793350160.db2.gz BSMQNPDQYNZWRE-LBPRGKRZSA-N 2 0 343.449 -1.256 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076575 793349235 /nfs/dbraw/zinc/34/92/35/793349235.db2.gz KCVBGICNLNNELA-UHFFFAOYSA-N 2 0 334.442 -1.812 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076611 793349947 /nfs/dbraw/zinc/34/99/47/793349947.db2.gz LQBQMFDFVVRWKH-AWEZNQCLSA-N 3 0 325.457 -1.282 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076612 793350201 /nfs/dbraw/zinc/35/02/01/793350201.db2.gz LQBQMFDFVVRWKH-CQSZACIVSA-N 3 0 325.457 -1.282 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077687 793350035 /nfs/dbraw/zinc/35/00/35/793350035.db2.gz WCBUCOKXKRPKSR-QWRGUYRKSA-N 2 0 341.412 -2.325 20 0 EAADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091851 793349273 /nfs/dbraw/zinc/34/92/73/793349273.db2.gz JALPDUMDRQQVBM-MEDUHNTESA-N 2 0 340.424 -1.003 20 0 EAADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091852 793349364 /nfs/dbraw/zinc/34/93/64/793349364.db2.gz JALPDUMDRQQVBM-ZBEGNZNMSA-N 2 0 340.424 -1.003 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC([NH3+])C2)CC1)C(N)=O ZINC001158092721 793349199 /nfs/dbraw/zinc/34/91/99/793349199.db2.gz PQMSAFKRESSTAF-CMPLNLGQSA-N 2 0 339.440 -1.186 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158092722 793349725 /nfs/dbraw/zinc/34/97/25/793349725.db2.gz PRVUDHUDUCNZFI-ONGXEEELSA-N 2 0 325.413 -1.576 20 0 EAADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093130 793350084 /nfs/dbraw/zinc/35/00/84/793350084.db2.gz ULYYXFMHBLTRTB-ABAIWWIYSA-N 2 0 335.408 -2.207 20 0 EAADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093131 793350211 /nfs/dbraw/zinc/35/02/11/793350211.db2.gz ULYYXFMHBLTRTB-IAQYHMDHSA-N 2 0 335.408 -2.207 20 0 EAADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093132 793349620 /nfs/dbraw/zinc/34/96/20/793349620.db2.gz ULYYXFMHBLTRTB-NHYWBVRUSA-N 2 0 335.408 -2.207 20 0 EAADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093133 793349891 /nfs/dbraw/zinc/34/98/91/793349891.db2.gz ULYYXFMHBLTRTB-XHDPSFHLSA-N 2 0 335.408 -2.207 20 0 EAADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093860 793349399 /nfs/dbraw/zinc/34/93/99/793349399.db2.gz XURHSANCCZZYEU-GWCFXTLKSA-N 2 0 342.421 -2.546 20 0 EAADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093867 793349147 /nfs/dbraw/zinc/34/91/47/793349147.db2.gz XURHSANCCZZYEU-GXFFZTMASA-N 2 0 342.421 -2.546 20 0 EAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093871 793348986 /nfs/dbraw/zinc/34/89/86/793348986.db2.gz XURHSANCCZZYEU-MFKMUULPSA-N 2 0 342.421 -2.546 20 0 EAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093875 793349934 /nfs/dbraw/zinc/34/99/34/793349934.db2.gz XURHSANCCZZYEU-ZWNOBZJWSA-N 2 0 342.421 -2.546 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100714 793349969 /nfs/dbraw/zinc/34/99/69/793349969.db2.gz AYUYTQOYNHDEEX-FZNYLWTLSA-N 2 0 340.384 -3.616 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100715 793348932 /nfs/dbraw/zinc/34/89/32/793348932.db2.gz AYUYTQOYNHDEEX-UINNMSKDSA-N 2 0 340.384 -3.616 20 0 EAADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100750 793349080 /nfs/dbraw/zinc/34/90/80/793349080.db2.gz BNHUUVQVDCACNK-MPGHIAIKSA-N 2 0 346.431 -1.002 20 0 EAADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100751 793350051 /nfs/dbraw/zinc/35/00/51/793350051.db2.gz BNHUUVQVDCACNK-RLFYNMQTSA-N 2 0 346.431 -1.002 20 0 EAADRP O=C(C1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100956 793349101 /nfs/dbraw/zinc/34/91/01/793349101.db2.gz DQJCZEJULSFYFR-PBHICJAKSA-N 2 0 335.452 -1.249 20 0 EAADRP O=C(C1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100957 793349882 /nfs/dbraw/zinc/34/98/82/793349882.db2.gz DQJCZEJULSFYFR-RHSMWYFYSA-N 2 0 335.452 -1.249 20 0 EAADRP O=C(C1CCN([C@H]2CC[NH2+]C2)CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100958 793350117 /nfs/dbraw/zinc/35/01/17/793350117.db2.gz DQJCZEJULSFYFR-WMLDXEAASA-N 2 0 335.452 -1.249 20 0 EAADRP O=C(C1CCN([C@H]2CC[NH2+]C2)CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100959 793348907 /nfs/dbraw/zinc/34/89/07/793348907.db2.gz DQJCZEJULSFYFR-YOEHRIQHSA-N 2 0 335.452 -1.249 20 0 EAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100970 793349987 /nfs/dbraw/zinc/34/99/87/793349987.db2.gz DXMDDMQKTIPORP-SWLSCSKDSA-N 2 0 325.413 -1.689 20 0 EAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100971 793349997 /nfs/dbraw/zinc/34/99/97/793349997.db2.gz DXMDDMQKTIPORP-WFASDCNBSA-N 2 0 325.413 -1.689 20 0 EAADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101040 793348916 /nfs/dbraw/zinc/34/89/16/793348916.db2.gz GLIMYMMNESDZGU-SWLSCSKDSA-N 2 0 325.413 -1.689 20 0 EAADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101041 793349415 /nfs/dbraw/zinc/34/94/15/793349415.db2.gz GLIMYMMNESDZGU-WFASDCNBSA-N 2 0 325.413 -1.689 20 0 EAADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101062 793349654 /nfs/dbraw/zinc/34/96/54/793349654.db2.gz GUIUERXHLQVDCA-NHYWBVRUSA-N 2 0 325.413 -1.834 20 0 EAADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101068 793350004 /nfs/dbraw/zinc/35/00/04/793350004.db2.gz GUIUERXHLQVDCA-XHDPSFHLSA-N 2 0 325.413 -1.834 20 0 EAADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101230 793349744 /nfs/dbraw/zinc/34/97/44/793349744.db2.gz HWCABEALDHINHR-INIZCTEOSA-N 2 0 345.407 -1.810 20 0 EAADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101231 793350072 /nfs/dbraw/zinc/35/00/72/793350072.db2.gz HWCABEALDHINHR-MRXNPFEDSA-N 2 0 345.407 -1.810 20 0 EAADRP [NH3+]C1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CCC2(CC1)OCCO2 ZINC001158101646 793349127 /nfs/dbraw/zinc/34/91/27/793349127.db2.gz KQCGYDSQDGIHMD-AWEZNQCLSA-N 2 0 338.408 -1.309 20 0 EAADRP [NH3+]C1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CCC2(CC1)OCCO2 ZINC001158101647 793350286 /nfs/dbraw/zinc/35/02/86/793350286.db2.gz KQCGYDSQDGIHMD-CQSZACIVSA-N 2 0 338.408 -1.309 20 0 EAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101812 793349166 /nfs/dbraw/zinc/34/91/66/793349166.db2.gz MJLHNPVVTHBTMY-NHYWBVRUSA-N 2 0 325.413 -1.834 20 0 EAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101813 793349058 /nfs/dbraw/zinc/34/90/58/793349058.db2.gz MJLHNPVVTHBTMY-XHDPSFHLSA-N 2 0 325.413 -1.834 20 0 EAADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101826 793350278 /nfs/dbraw/zinc/35/02/78/793350278.db2.gz MNMQDEVNYAAGAE-CKEIUWERSA-N 2 0 335.452 -1.249 20 0 EAADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101827 793348897 /nfs/dbraw/zinc/34/88/97/793348897.db2.gz MNMQDEVNYAAGAE-CPUCHLNUSA-N 2 0 335.452 -1.249 20 0 EAADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101828 793349378 /nfs/dbraw/zinc/34/93/78/793349378.db2.gz MNMQDEVNYAAGAE-JKIFEVAISA-N 2 0 335.452 -1.249 20 0 EAADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101829 793349094 /nfs/dbraw/zinc/34/90/94/793349094.db2.gz MNMQDEVNYAAGAE-KEYYUXOJSA-N 2 0 335.452 -1.249 20 0 EAADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101858 793349686 /nfs/dbraw/zinc/34/96/86/793349686.db2.gz NEYHBIWWRCZEKW-MKBNYLNASA-N 2 0 339.440 -1.445 20 0 EAADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101859 793349821 /nfs/dbraw/zinc/34/98/21/793349821.db2.gz NEYHBIWWRCZEKW-MQIPJXDCSA-N 2 0 339.440 -1.445 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102203 786979366 /nfs/dbraw/zinc/97/93/66/786979366.db2.gz PDAJNEBLVLPWEB-GFCCVEGCSA-N 2 0 333.414 -3.103 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102204 786979424 /nfs/dbraw/zinc/97/94/24/786979424.db2.gz PDAJNEBLVLPWEB-LBPRGKRZSA-N 2 0 333.414 -3.103 20 0 EAADRP O=C([C@@H]1CCCCN1[C@H]1CC[NH2+]C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102353 793350079 /nfs/dbraw/zinc/35/00/79/793350079.db2.gz QEQUAYUBOQSCRT-GRDNDAEWSA-N 2 0 335.452 -1.107 20 0 EAADRP O=C([C@@H]1CCCCN1[C@@H]1CC[NH2+]C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102354 793348845 /nfs/dbraw/zinc/34/88/45/793348845.db2.gz QEQUAYUBOQSCRT-JKIFEVAISA-N 2 0 335.452 -1.107 20 0 EAADRP O=C([C@@H]1CCCCN1[C@@H]1CC[NH2+]C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102355 793350105 /nfs/dbraw/zinc/35/01/05/793350105.db2.gz QEQUAYUBOQSCRT-KEYYUXOJSA-N 2 0 335.452 -1.107 20 0 EAADRP O=C([C@@H]1CCCCN1[C@H]1CC[NH2+]C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102356 793349613 /nfs/dbraw/zinc/34/96/13/793349613.db2.gz QEQUAYUBOQSCRT-ZQIUZPCESA-N 2 0 335.452 -1.107 20 0 EAADRP O=C(c1cccnc1N1CC[NH2+]CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102711 793350110 /nfs/dbraw/zinc/35/01/10/793350110.db2.gz VZMDGQAUVGQQLJ-KRWDZBQOSA-N 2 0 344.419 -1.205 20 0 EAADRP O=C(c1cccnc1N1CC[NH2+]CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102712 793350092 /nfs/dbraw/zinc/35/00/92/793350092.db2.gz VZMDGQAUVGQQLJ-QGZVFWFLSA-N 2 0 344.419 -1.205 20 0 EAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102975 793350058 /nfs/dbraw/zinc/35/00/58/793350058.db2.gz ZGVUXKJFFNBTAK-VZJVUDMVSA-N 2 0 325.413 -1.834 20 0 EAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102976 793348878 /nfs/dbraw/zinc/34/88/78/793348878.db2.gz ZGVUXKJFFNBTAK-XEGUGMAKSA-N 2 0 325.413 -1.834 20 0 EAADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109324 793349439 /nfs/dbraw/zinc/34/94/39/793349439.db2.gz BAUWNOYWFJGCIU-SFDCBXKLSA-N 2 0 334.420 -1.309 20 0 EAADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109325 793349386 /nfs/dbraw/zinc/34/93/86/793349386.db2.gz BAUWNOYWFJGCIU-ZBYUQBLASA-N 2 0 334.420 -1.309 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109778 793349519 /nfs/dbraw/zinc/34/95/19/793349519.db2.gz CHHYLPNJUPYCSW-BMIGLBTASA-N 2 0 338.412 -2.300 20 0 EAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109779 793349636 /nfs/dbraw/zinc/34/96/36/793349636.db2.gz CHHYLPNJUPYCSW-BONVTDFDSA-N 2 0 338.412 -2.300 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109780 793348800 /nfs/dbraw/zinc/34/88/00/793348800.db2.gz CHHYLPNJUPYCSW-MEBBXXQBSA-N 2 0 338.412 -2.300 20 0 EAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109781 793349038 /nfs/dbraw/zinc/34/90/38/793349038.db2.gz CHHYLPNJUPYCSW-ZUZCIYMTSA-N 2 0 338.412 -2.300 20 0 EAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110305 793349182 /nfs/dbraw/zinc/34/91/82/793349182.db2.gz GEBQYDHKIAAVJC-BDJLRTHQSA-N 2 0 335.408 -2.745 20 0 EAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110307 793348855 /nfs/dbraw/zinc/34/88/55/793348855.db2.gz GEBQYDHKIAAVJC-BZNIZROVSA-N 2 0 335.408 -2.745 20 0 EAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110308 793349899 /nfs/dbraw/zinc/34/98/99/793349899.db2.gz GEBQYDHKIAAVJC-MEDUHNTESA-N 2 0 335.408 -2.745 20 0 EAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110309 793349541 /nfs/dbraw/zinc/34/95/41/793349541.db2.gz GEBQYDHKIAAVJC-ZBEGNZNMSA-N 2 0 335.408 -2.745 20 0 EAADRP O=C([C@H]1C[NH2+]CC12CCOCC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112095 793349837 /nfs/dbraw/zinc/34/98/37/793349837.db2.gz VCRBAQCVCVWLOB-ACJLOTCBSA-N 2 0 348.447 -1.059 20 0 EAADRP O=C([C@H]1C[NH2+]CC12CCOCC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112096 793350195 /nfs/dbraw/zinc/35/01/95/793350195.db2.gz VCRBAQCVCVWLOB-FZKQIMNGSA-N 2 0 348.447 -1.059 20 0 EAADRP O=C([C@@H]1C[NH2+]CC12CCOCC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112097 793349023 /nfs/dbraw/zinc/34/90/23/793349023.db2.gz VCRBAQCVCVWLOB-SCLBCKFNSA-N 2 0 348.447 -1.059 20 0 EAADRP O=C([C@@H]1C[NH2+]CC12CCOCC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112098 793350224 /nfs/dbraw/zinc/35/02/24/793350224.db2.gz VCRBAQCVCVWLOB-UGSOOPFHSA-N 2 0 348.447 -1.059 20 0 EAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112534 793350125 /nfs/dbraw/zinc/35/01/25/793350125.db2.gz ZEERUBKINQVMON-BLLLJJGKSA-N 2 0 332.408 -1.772 20 0 EAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112537 793349585 /nfs/dbraw/zinc/34/95/85/793349585.db2.gz ZEERUBKINQVMON-LRDDRELGSA-N 2 0 332.408 -1.772 20 0 EAADRP O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112538 793350022 /nfs/dbraw/zinc/35/00/22/793350022.db2.gz ZFGRFDKGFUQWLW-PXAZEXFGSA-N 2 0 344.419 -1.459 20 0 EAADRP O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112540 793350178 /nfs/dbraw/zinc/35/01/78/793350178.db2.gz ZFGRFDKGFUQWLW-SJCJKPOMSA-N 2 0 344.419 -1.459 20 0 EAADRP O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112542 793349704 /nfs/dbraw/zinc/34/97/04/793349704.db2.gz ZFGRFDKGFUQWLW-SJKOYZFVSA-N 2 0 344.419 -1.459 20 0 EAADRP O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112543 793351080 /nfs/dbraw/zinc/35/10/80/793351080.db2.gz ZFGRFDKGFUQWLW-YVEFUNNKSA-N 2 0 344.419 -1.459 20 0 EAADRP [NH3+][C@@H](Cc1cscn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112553 793350861 /nfs/dbraw/zinc/35/08/61/793350861.db2.gz ZJWZESXFBZSWHR-NHYWBVRUSA-N 2 0 335.433 -1.049 20 0 EAADRP [NH3+][C@@H](Cc1cscn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112555 793351009 /nfs/dbraw/zinc/35/10/09/793351009.db2.gz ZJWZESXFBZSWHR-XHDPSFHLSA-N 2 0 335.433 -1.049 20 0 EAADRP O=C(c1ncn2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118744 793351269 /nfs/dbraw/zinc/35/12/69/793351269.db2.gz BHBGDSAZTWHRRG-INIZCTEOSA-N 2 0 330.392 -1.462 20 0 EAADRP O=C(c1ncn2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118747 793351115 /nfs/dbraw/zinc/35/11/15/793351115.db2.gz BHBGDSAZTWHRRG-MRXNPFEDSA-N 2 0 330.392 -1.462 20 0 EAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119019 793351614 /nfs/dbraw/zinc/35/16/14/793351614.db2.gz FTRWDQPRYIKVAV-MEDUHNTESA-N 2 0 335.408 -2.126 20 0 EAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119020 793350668 /nfs/dbraw/zinc/35/06/68/793350668.db2.gz FTRWDQPRYIKVAV-ZBEGNZNMSA-N 2 0 335.408 -2.126 20 0 EAADRP O=C(c1noc2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119223 793350473 /nfs/dbraw/zinc/35/04/73/793350473.db2.gz HBRPXPXJBPRQKX-INIZCTEOSA-N 2 0 331.376 -1.128 20 0 EAADRP O=C(c1noc2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119224 793351755 /nfs/dbraw/zinc/35/17/55/793351755.db2.gz HBRPXPXJBPRQKX-MRXNPFEDSA-N 2 0 331.376 -1.128 20 0 EAADRP CCOC(=O)C1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C[NH2+]C1 ZINC001158119422 793351144 /nfs/dbraw/zinc/35/11/44/793351144.db2.gz GYOSOACPQCJEDC-INIZCTEOSA-N 2 0 336.392 -1.923 20 0 EAADRP CCOC(=O)C1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C[NH2+]C1 ZINC001158119425 793350836 /nfs/dbraw/zinc/35/08/36/793350836.db2.gz GYOSOACPQCJEDC-MRXNPFEDSA-N 2 0 336.392 -1.923 20 0 EAADRP O=C([C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119903 793351132 /nfs/dbraw/zinc/35/11/32/793351132.db2.gz IZQURLVCAKSXSZ-HPTBWKMGSA-N 2 0 334.420 -1.166 20 0 EAADRP O=C([C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119904 793351367 /nfs/dbraw/zinc/35/13/67/793351367.db2.gz IZQURLVCAKSXSZ-ZFRZLUBXSA-N 2 0 334.420 -1.166 20 0 EAADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1=O ZINC001158119915 793351582 /nfs/dbraw/zinc/35/15/82/793351582.db2.gz JGZFDZODZCOXMR-SJCJKPOMSA-N 2 0 349.435 -1.736 20 0 EAADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1=O ZINC001158119916 793350493 /nfs/dbraw/zinc/35/04/93/793350493.db2.gz JGZFDZODZCOXMR-YVEFUNNKSA-N 2 0 349.435 -1.736 20 0 EAADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119923 793350444 /nfs/dbraw/zinc/35/04/44/793350444.db2.gz JLNNOOIIVPVTOL-ACJLOTCBSA-N 3 0 347.463 -1.201 20 0 EAADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119924 793350558 /nfs/dbraw/zinc/35/05/58/793350558.db2.gz JLNNOOIIVPVTOL-FZKQIMNGSA-N 3 0 347.463 -1.201 20 0 EAADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119925 793350536 /nfs/dbraw/zinc/35/05/36/793350536.db2.gz JLNNOOIIVPVTOL-SCLBCKFNSA-N 3 0 347.463 -1.201 20 0 EAADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119926 793351324 /nfs/dbraw/zinc/35/13/24/793351324.db2.gz JLNNOOIIVPVTOL-UGSOOPFHSA-N 3 0 347.463 -1.201 20 0 EAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120155 793351720 /nfs/dbraw/zinc/35/17/20/793351720.db2.gz JUZUSTCJGBUEPP-IEMGUGKBSA-N 2 0 328.438 -1.980 20 0 EAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120156 793351682 /nfs/dbraw/zinc/35/16/82/793351682.db2.gz JUZUSTCJGBUEPP-LXGJKDISSA-N 2 0 328.438 -1.980 20 0 EAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120157 793350745 /nfs/dbraw/zinc/35/07/45/793350745.db2.gz JUZUSTCJGBUEPP-OIAWAGMISA-N 2 0 328.438 -1.980 20 0 EAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120158 793350997 /nfs/dbraw/zinc/35/09/97/793350997.db2.gz JUZUSTCJGBUEPP-QGRRJVMCSA-N 2 0 328.438 -1.980 20 0 EAADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158120175 793350721 /nfs/dbraw/zinc/35/07/21/793350721.db2.gz JZBJOKYDUJTYQS-ACJLOTCBSA-N 2 0 349.479 -1.003 20 0 EAADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158120176 793351238 /nfs/dbraw/zinc/35/12/38/793351238.db2.gz JZBJOKYDUJTYQS-FZKQIMNGSA-N 2 0 349.479 -1.003 20 0 EAADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158120177 793351531 /nfs/dbraw/zinc/35/15/31/793351531.db2.gz JZBJOKYDUJTYQS-SCLBCKFNSA-N 2 0 349.479 -1.003 20 0 EAADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158120178 793350609 /nfs/dbraw/zinc/35/06/09/793350609.db2.gz JZBJOKYDUJTYQS-UGSOOPFHSA-N 2 0 349.479 -1.003 20 0 EAADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120185 793351314 /nfs/dbraw/zinc/35/13/14/793351314.db2.gz KBWFOVSUBNVHMI-LKQDWFRTSA-N 2 0 334.420 -1.451 20 0 EAADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120186 793351072 /nfs/dbraw/zinc/35/10/72/793351072.db2.gz KBWFOVSUBNVHMI-PFHKOEEOSA-N 2 0 334.420 -1.451 20 0 EAADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120187 793350688 /nfs/dbraw/zinc/35/06/88/793350688.db2.gz KBWFOVSUBNVHMI-SFDCBXKLSA-N 2 0 334.420 -1.451 20 0 EAADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120188 793351356 /nfs/dbraw/zinc/35/13/56/793351356.db2.gz KBWFOVSUBNVHMI-ZBYUQBLASA-N 2 0 334.420 -1.451 20 0 EAADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120201 793351409 /nfs/dbraw/zinc/35/14/09/793351409.db2.gz KHJDETDOCVXODC-APNQJHFZSA-N 2 0 334.420 -1.309 20 0 EAADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120202 793351108 /nfs/dbraw/zinc/35/11/08/793351108.db2.gz KHJDETDOCVXODC-JRATXPSKSA-N 2 0 334.420 -1.309 20 0 EAADRP O=C(c1n[nH]c2c1CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120281 793350649 /nfs/dbraw/zinc/35/06/49/793350649.db2.gz NLDUHGMHRGTGTD-INIZCTEOSA-N 2 0 330.392 -1.393 20 0 EAADRP O=C(c1n[nH]c2c1CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120282 793350883 /nfs/dbraw/zinc/35/08/83/793350883.db2.gz NLDUHGMHRGTGTD-MRXNPFEDSA-N 2 0 330.392 -1.393 20 0 EAADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120579 793350767 /nfs/dbraw/zinc/35/07/67/793350767.db2.gz RASVLUONKQWUTL-INIZCTEOSA-N 2 0 330.392 -1.393 20 0 EAADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120581 793351836 /nfs/dbraw/zinc/35/18/36/793351836.db2.gz RASVLUONKQWUTL-MRXNPFEDSA-N 2 0 330.392 -1.393 20 0 EAADRP [NH3+]CCOCCOCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120694 793351470 /nfs/dbraw/zinc/35/14/70/793351470.db2.gz PJUXQMYUDSAMEL-HNNXBMFYSA-N 2 0 326.397 -2.084 20 0 EAADRP [NH3+]CCOCCOCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120695 793351820 /nfs/dbraw/zinc/35/18/20/793351820.db2.gz PJUXQMYUDSAMEL-OAHLLOKOSA-N 2 0 326.397 -2.084 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120939 793351512 /nfs/dbraw/zinc/35/15/12/793351512.db2.gz WCXJGPIZYXCCRE-AMJWSMQMSA-N 2 0 339.396 -3.251 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120940 793351738 /nfs/dbraw/zinc/35/17/38/793351738.db2.gz WCXJGPIZYXCCRE-YHAQOWFVSA-N 2 0 339.396 -3.251 20 0 EAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121027 793351432 /nfs/dbraw/zinc/35/14/32/793351432.db2.gz RAMNSJBEKUZDDC-MEDUHNTESA-N 2 0 335.408 -2.207 20 0 EAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121028 793350519 /nfs/dbraw/zinc/35/05/19/793350519.db2.gz RAMNSJBEKUZDDC-ZBEGNZNMSA-N 2 0 335.408 -2.207 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121039 793351661 /nfs/dbraw/zinc/35/16/61/793351661.db2.gz ROPBRTZSOMBTIO-HZMBPMFUSA-N 3 0 327.454 -2.056 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121040 793351701 /nfs/dbraw/zinc/35/17/01/793351701.db2.gz ROPBRTZSOMBTIO-IINYFYTJSA-N 3 0 327.454 -2.056 20 0 EAADRP O=C(c1cnc2n1CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121428 793350977 /nfs/dbraw/zinc/35/09/77/793350977.db2.gz ZWSCTQPXMPCSNU-KRWDZBQOSA-N 2 0 344.419 -1.420 20 0 EAADRP O=C(c1cnc2n1CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121430 793351481 /nfs/dbraw/zinc/35/14/81/793351481.db2.gz ZWSCTQPXMPCSNU-QGZVFWFLSA-N 2 0 344.419 -1.420 20 0 EAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121439 793350792 /nfs/dbraw/zinc/35/07/92/793350792.db2.gz SVFWKPKQHRHMKE-GUYCJALGSA-N 3 0 337.468 -1.016 20 0 EAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121440 793351938 /nfs/dbraw/zinc/35/19/38/793351938.db2.gz SVFWKPKQHRHMKE-SUMWQHHRSA-N 3 0 337.468 -1.016 20 0 EAADRP O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121627 793351901 /nfs/dbraw/zinc/35/19/01/793351901.db2.gz VOAQCYLACBOLLD-APNQJHFZSA-N 2 0 334.420 -1.309 20 0 EAADRP O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121628 793350710 /nfs/dbraw/zinc/35/07/10/793350710.db2.gz VOAQCYLACBOLLD-JRATXPSKSA-N 2 0 334.420 -1.309 20 0 EAADRP CN(CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@H]1CCC[NH2+]C1 ZINC001158121740 793350909 /nfs/dbraw/zinc/35/09/09/793350909.db2.gz XEDAZGDTYQCJNW-CXAGYDPISA-N 2 0 335.452 -1.392 20 0 EAADRP CN(CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@H]1CCC[NH2+]C1 ZINC001158121741 793351601 /nfs/dbraw/zinc/35/16/01/793351601.db2.gz XEDAZGDTYQCJNW-DYVFJYSZSA-N 2 0 335.452 -1.392 20 0 EAADRP CN(CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@H]1CCC[NH2+]C1 ZINC001158121842 793350431 /nfs/dbraw/zinc/35/04/31/793350431.db2.gz XEDAZGDTYQCJNW-GUYCJALGSA-N 2 0 335.452 -1.392 20 0 EAADRP CN(CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@H]1CCC[NH2+]C1 ZINC001158121843 793350416 /nfs/dbraw/zinc/35/04/16/793350416.db2.gz XEDAZGDTYQCJNW-SUMWQHHRSA-N 2 0 335.452 -1.392 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158122144 793351050 /nfs/dbraw/zinc/35/10/50/793351050.db2.gz YYNNKSFNUZROAU-HSMVNMDESA-N 2 0 336.392 -1.924 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158122145 793351058 /nfs/dbraw/zinc/35/10/58/793351058.db2.gz YYNNKSFNUZROAU-HWWQOWPSSA-N 2 0 336.392 -1.924 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158122146 793351830 /nfs/dbraw/zinc/35/18/30/793351830.db2.gz YYNNKSFNUZROAU-OZVIIMIRSA-N 2 0 336.392 -1.924 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158122147 793350854 /nfs/dbraw/zinc/35/08/54/793350854.db2.gz YYNNKSFNUZROAU-XHBSWPGZSA-N 2 0 336.392 -1.924 20 0 EAADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158122156 793350700 /nfs/dbraw/zinc/35/07/00/793350700.db2.gz ZBHYJHFIFNIPGM-BDJLRTHQSA-N 2 0 333.392 -2.597 20 0 EAADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158122157 793351855 /nfs/dbraw/zinc/35/18/55/793351855.db2.gz ZBHYJHFIFNIPGM-BZNIZROVSA-N 2 0 333.392 -2.597 20 0 EAADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158122158 793350902 /nfs/dbraw/zinc/35/09/02/793350902.db2.gz ZBHYJHFIFNIPGM-MEDUHNTESA-N 2 0 333.392 -2.597 20 0 EAADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158122159 793351065 /nfs/dbraw/zinc/35/10/65/793351065.db2.gz ZBHYJHFIFNIPGM-ZBEGNZNMSA-N 2 0 333.392 -2.597 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@]12CCC[NH2+]C2)C(N)=O ZINC001158160151 793352793 /nfs/dbraw/zinc/35/27/93/793352793.db2.gz INROCIKBZJJPCV-HWWQOWPSSA-N 2 0 339.440 -1.172 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@]12CCC[NH2+]C2)C(N)=O ZINC001158160153 793353052 /nfs/dbraw/zinc/35/30/52/793353052.db2.gz INROCIKBZJJPCV-OZVIIMIRSA-N 2 0 339.440 -1.172 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158166942 793353094 /nfs/dbraw/zinc/35/30/94/793353094.db2.gz FEDQYGHUPPRJLM-KFWWJZLASA-N 3 0 338.452 -1.114 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158166943 793352678 /nfs/dbraw/zinc/35/26/78/793352678.db2.gz FEDQYGHUPPRJLM-RBSFLKMASA-N 3 0 338.452 -1.114 20 0 EAADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167016 793352220 /nfs/dbraw/zinc/35/22/20/793352220.db2.gz GYLJBPFGEAGISY-FRRDWIJNSA-N 2 0 347.423 -1.629 20 0 EAADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167017 793352622 /nfs/dbraw/zinc/35/26/22/793352622.db2.gz GYLJBPFGEAGISY-JHJVBQTASA-N 2 0 347.423 -1.629 20 0 EAADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167499 793353065 /nfs/dbraw/zinc/35/30/65/793353065.db2.gz KPTOMTPGCMMOLS-GRYCIOLGSA-N 2 0 329.422 -1.790 20 0 EAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167502 793352068 /nfs/dbraw/zinc/35/20/68/793352068.db2.gz KPTOMTPGCMMOLS-IJLUTSLNSA-N 2 0 329.422 -1.790 20 0 EAADRP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168356 793353256 /nfs/dbraw/zinc/35/32/56/793353256.db2.gz VHKLNJAXWCPZPR-HZSPNIEDSA-N 2 0 346.435 -1.024 20 0 EAADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168604 793352978 /nfs/dbraw/zinc/35/29/78/793352978.db2.gz VHKLNJAXWCPZPR-MGPQQGTHSA-N 2 0 346.435 -1.024 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CCC[NH2+]2)CC1)C(N)=O ZINC001158169223 793352366 /nfs/dbraw/zinc/35/23/66/793352366.db2.gz NJXXLPQDRHUZJK-NWDGAFQWSA-N 2 0 339.440 -1.172 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169371 793353273 /nfs/dbraw/zinc/35/32/73/793353273.db2.gz PTXIEXKQAIPOSM-QWRGUYRKSA-N 2 0 325.413 -1.562 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178828 793353931 /nfs/dbraw/zinc/35/39/31/793353931.db2.gz DSOFJVWQKLORPH-FRRDWIJNSA-N 2 0 342.440 -1.308 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C(N)=O ZINC001158178829 793354112 /nfs/dbraw/zinc/35/41/12/793354112.db2.gz DSVFOCQKCSLOLZ-IRCOFANPSA-N 2 0 341.412 -2.469 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)COC1(C)C ZINC001158179301 793353550 /nfs/dbraw/zinc/35/35/50/793353550.db2.gz JOKGLVJIINPCFR-QNWHQSFQSA-N 2 0 340.424 -1.256 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179358 793353877 /nfs/dbraw/zinc/35/38/77/793353877.db2.gz KWXGPDHCNVXWSN-ZRUFSTJUSA-N 2 0 327.385 -2.859 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187160 793353754 /nfs/dbraw/zinc/35/37/54/793353754.db2.gz MPNSFUGGXBMLIB-UHFFFAOYSA-N 2 0 340.384 -3.757 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196337 793354176 /nfs/dbraw/zinc/35/41/76/793354176.db2.gz LLJCNGRZRSWUBM-GFCCVEGCSA-N 2 0 325.413 -1.120 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196339 793354539 /nfs/dbraw/zinc/35/45/39/793354539.db2.gz LLJCNGRZRSWUBM-LBPRGKRZSA-N 2 0 325.413 -1.120 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202287 793354608 /nfs/dbraw/zinc/35/46/08/793354608.db2.gz MCJZAHQMPCHBQI-CYBMUJFWSA-N 2 0 332.470 -1.027 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202288 793354699 /nfs/dbraw/zinc/35/46/99/793354699.db2.gz MCJZAHQMPCHBQI-ZDUSSCGKSA-N 2 0 332.470 -1.027 20 0 EAADRP O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202321 793354715 /nfs/dbraw/zinc/35/47/15/793354715.db2.gz OIKGESRDTLUXAH-CYBMUJFWSA-N 2 0 337.424 -1.024 20 0 EAADRP O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202322 793354729 /nfs/dbraw/zinc/35/47/29/793354729.db2.gz OIKGESRDTLUXAH-ZDUSSCGKSA-N 2 0 337.424 -1.024 20 0 EAADRP [NH3+][C@@H](CO)Cc1cncn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001158206325 793353730 /nfs/dbraw/zinc/35/37/30/793353730.db2.gz JNDMKJDCILZFRV-LLVKDONJSA-N 2 0 345.407 -1.036 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208657 793354301 /nfs/dbraw/zinc/35/43/01/793354301.db2.gz WNUBPXMIIXHFTQ-VHSXEESVSA-N 2 0 340.384 -3.744 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215829 793354154 /nfs/dbraw/zinc/35/41/54/793354154.db2.gz PYTYSJRUOCMJLM-RVMXOQNASA-N 2 0 337.424 -1.596 20 0 EAADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001158236224 793354454 /nfs/dbraw/zinc/35/44/54/793354454.db2.gz ZCZWORNYEWVDGI-GHJWDPDVSA-N 2 0 340.424 -1.615 20 0 EAADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001158236227 793353416 /nfs/dbraw/zinc/35/34/16/793353416.db2.gz ZCZWORNYEWVDGI-RBOXIYTFSA-N 2 0 340.424 -1.615 20 0 EAADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260033 793353746 /nfs/dbraw/zinc/35/37/46/793353746.db2.gz BFICFQQMUJQNSO-CYBMUJFWSA-N 2 0 345.407 -1.823 20 0 EAADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260034 793354395 /nfs/dbraw/zinc/35/43/95/793354395.db2.gz BFICFQQMUJQNSO-ZDUSSCGKSA-N 2 0 345.407 -1.823 20 0 EAADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260064 793354007 /nfs/dbraw/zinc/35/40/07/793354007.db2.gz CBDWBKXDOLTYMM-LLVKDONJSA-N 2 0 336.396 -1.021 20 0 EAADRP COC(=O)CC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260065 793353864 /nfs/dbraw/zinc/35/38/64/793353864.db2.gz CBDWBKXDOLTYMM-NSHDSACASA-N 2 0 336.396 -1.021 20 0 EAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260799 793353954 /nfs/dbraw/zinc/35/39/54/793353954.db2.gz HMMNXVSBHVFLTN-RWMBFGLXSA-N 2 0 331.424 -1.351 20 0 EAADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260841 793353437 /nfs/dbraw/zinc/35/34/37/793353437.db2.gz IIMBWKKIHHYKEA-FRRDWIJNSA-N 2 0 332.408 -1.067 20 0 EAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262003 793354358 /nfs/dbraw/zinc/35/43/58/793354358.db2.gz PNVBACOKELLUQD-GFCCVEGCSA-N 2 0 347.423 -1.971 20 0 EAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262004 793353634 /nfs/dbraw/zinc/35/36/34/793353634.db2.gz PNVBACOKELLUQD-LBPRGKRZSA-N 2 0 347.423 -1.971 20 0 EAADRP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158262096 793353607 /nfs/dbraw/zinc/35/36/07/793353607.db2.gz QGPUFXUVKPJUTJ-BLLLJJGKSA-N 2 0 331.424 -1.350 20 0 EAADRP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158262102 793353812 /nfs/dbraw/zinc/35/38/12/793353812.db2.gz QGPUFXUVKPJUTJ-LRDDRELGSA-N 2 0 331.424 -1.350 20 0 EAADRP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158262107 793354339 /nfs/dbraw/zinc/35/43/39/793354339.db2.gz QGPUFXUVKPJUTJ-MLGOLLRUSA-N 2 0 331.424 -1.350 20 0 EAADRP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158262110 793354490 /nfs/dbraw/zinc/35/44/90/793354490.db2.gz QGPUFXUVKPJUTJ-WBMJQRKESA-N 2 0 331.424 -1.350 20 0 EAADRP [NH3+][C@@H](Cn1cccn1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262218 793354068 /nfs/dbraw/zinc/35/40/68/793354068.db2.gz RVVYVPYDXNXGFS-LBPRGKRZSA-N 2 0 330.396 -1.077 20 0 EAADRP O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158263016 793354027 /nfs/dbraw/zinc/35/40/27/793354027.db2.gz XZZYOCFMSFTYAF-LRDDRELGSA-N 2 0 332.408 -1.065 20 0 EAADRP [NH3+]CCNC(=O)/C=C/C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263033 793354819 /nfs/dbraw/zinc/35/48/19/793354819.db2.gz YUIGQFQLOAXRPY-OWOJBTEDSA-N 2 0 333.396 -1.670 20 0 EAADRP O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263180 793354197 /nfs/dbraw/zinc/35/41/97/793354197.db2.gz ZLHPELWZUZMBBB-WDEREUQCSA-N 2 0 331.380 -1.327 20 0 EAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263185 793353914 /nfs/dbraw/zinc/35/39/14/793353914.db2.gz ZOLVTQMOVCSLIL-GFCCVEGCSA-N 3 0 331.424 -1.492 20 0 EAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263186 793354619 /nfs/dbraw/zinc/35/46/19/793354619.db2.gz ZOLVTQMOVCSLIL-LBPRGKRZSA-N 3 0 331.424 -1.492 20 0 EAADRP Cn1nnnc1C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158274695 793354260 /nfs/dbraw/zinc/35/42/60/793354260.db2.gz DWFQYXQKXSLBRV-UHFFFAOYSA-N 2 0 335.416 -1.122 20 0 EAADRP [NH3+]CCOCCOCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276803 793355524 /nfs/dbraw/zinc/35/55/24/793355524.db2.gz DQFCDPVIBBTQRX-UHFFFAOYSA-N 2 0 338.412 -1.309 20 0 EAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276842 793355598 /nfs/dbraw/zinc/35/55/98/793355598.db2.gz DYRXDHRHSZPVDP-BSNNYGBQSA-N 2 0 340.453 -1.205 20 0 EAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276844 793356203 /nfs/dbraw/zinc/35/62/03/793356203.db2.gz DYRXDHRHSZPVDP-RULNZOCKSA-N 2 0 340.453 -1.205 20 0 EAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277142 793355134 /nfs/dbraw/zinc/35/51/34/793355134.db2.gz JWTCVMZGMSRHSN-LBPRGKRZSA-N 2 0 347.423 -1.351 20 0 EAADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277199 793356013 /nfs/dbraw/zinc/35/60/13/793356013.db2.gz MFGMXAQMTKJNLF-NSHDSACASA-N 2 0 335.412 -1.318 20 0 EAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277483 793355657 /nfs/dbraw/zinc/35/56/57/793355657.db2.gz PDWOOFBQXJUPOQ-LBPRGKRZSA-N 2 0 347.423 -1.433 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277570 793356266 /nfs/dbraw/zinc/35/62/66/793356266.db2.gz PYVUEQQPTBFBTM-CHWSQXEVSA-N 2 0 348.407 -1.150 20 0 EAADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277571 793356184 /nfs/dbraw/zinc/35/61/84/793356184.db2.gz PYVUEQQPTBFBTM-OLZOCXBDSA-N 2 0 348.407 -1.150 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277572 793356175 /nfs/dbraw/zinc/35/61/75/793356175.db2.gz PYVUEQQPTBFBTM-QWHCGFSZSA-N 2 0 348.407 -1.150 20 0 EAADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277573 793356473 /nfs/dbraw/zinc/35/64/73/793356473.db2.gz PYVUEQQPTBFBTM-STQMWFEESA-N 2 0 348.407 -1.150 20 0 EAADRP CCOC(=O)C1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C[NH2+]C1 ZINC001158277676 793356319 /nfs/dbraw/zinc/35/63/19/793356319.db2.gz ROQQZECJSSHPDN-UHFFFAOYSA-N 2 0 348.407 -1.148 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277899 793355887 /nfs/dbraw/zinc/35/58/87/793355887.db2.gz WWIIQWAQSRHUQW-QWRGUYRKSA-N 2 0 335.412 -1.449 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277914 793355224 /nfs/dbraw/zinc/35/52/24/793355224.db2.gz XINFEWDLUHLSOM-NSHDSACASA-N 3 0 339.469 -1.282 20 0 EAADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)n1 ZINC001158288062 793355370 /nfs/dbraw/zinc/35/53/70/793355370.db2.gz OPIMCYDGHLYHIT-UHFFFAOYSA-N 2 0 339.400 -1.651 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001158380689 793357559 /nfs/dbraw/zinc/35/75/59/793357559.db2.gz UGURSFQITJQGOI-VXGBXAGGSA-N 2 0 325.413 -1.026 20 0 EAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](O)C[NH3+])C2 ZINC001158384186 793357233 /nfs/dbraw/zinc/35/72/33/793357233.db2.gz UYPZTOXIPUIAMW-AXTRIDKLSA-N 2 0 339.314 -1.150 20 0 EAADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](O)C[NH3+])C2 ZINC001158384187 793357482 /nfs/dbraw/zinc/35/74/82/793357482.db2.gz UYPZTOXIPUIAMW-KPXOXKRLSA-N 2 0 339.314 -1.150 20 0 EAADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](O)C[NH3+])C2 ZINC001158384188 793356637 /nfs/dbraw/zinc/35/66/37/793356637.db2.gz UYPZTOXIPUIAMW-UWJYBYFXSA-N 2 0 339.314 -1.150 20 0 EAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](O)C[NH3+])C2 ZINC001158384189 793357052 /nfs/dbraw/zinc/35/70/52/793357052.db2.gz UYPZTOXIPUIAMW-XXILOJSOSA-N 2 0 339.314 -1.150 20 0 EAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)C[NH3+])C2 ZINC001158386113 793357584 /nfs/dbraw/zinc/35/75/84/793357584.db2.gz YLCLBSURBPBIKR-AXTRIDKLSA-N 2 0 338.330 -1.184 20 0 EAADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)C[NH3+])C2 ZINC001158386116 793356834 /nfs/dbraw/zinc/35/68/34/793356834.db2.gz YLCLBSURBPBIKR-KPXOXKRLSA-N 2 0 338.330 -1.184 20 0 EAADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)C[NH3+])C2 ZINC001158386119 793356620 /nfs/dbraw/zinc/35/66/20/793356620.db2.gz YLCLBSURBPBIKR-UWJYBYFXSA-N 2 0 338.330 -1.184 20 0 EAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)C[NH3+])C2 ZINC001158386121 793357509 /nfs/dbraw/zinc/35/75/09/793357509.db2.gz YLCLBSURBPBIKR-XXILOJSOSA-N 2 0 338.330 -1.184 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421371 793359764 /nfs/dbraw/zinc/35/97/64/793359764.db2.gz DISBZPHNLOIDEB-NXEZZACHSA-N 2 0 340.384 -3.744 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421373 793358889 /nfs/dbraw/zinc/35/88/89/793358889.db2.gz DISBZPHNLOIDEB-UWVGGRQHSA-N 2 0 340.384 -3.744 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421375 793358237 /nfs/dbraw/zinc/35/82/37/793358237.db2.gz DISBZPHNLOIDEB-VHSXEESVSA-N 2 0 340.384 -3.744 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421377 793358775 /nfs/dbraw/zinc/35/87/75/793358775.db2.gz DISBZPHNLOIDEB-ZJUUUORDSA-N 2 0 340.384 -3.744 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC001158428899 793359628 /nfs/dbraw/zinc/35/96/28/793359628.db2.gz YMEDKEXBIOICCC-CHWSQXEVSA-N 2 0 339.440 -1.619 20 0 EAADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158429827 793358525 /nfs/dbraw/zinc/35/85/25/793358525.db2.gz BTXXWFGUGRMIEW-VIFPVBQESA-N 2 0 342.425 -1.184 20 0 EAADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158430610 793359542 /nfs/dbraw/zinc/35/95/42/793359542.db2.gz KCOZWBZDJHZGEZ-JTQLQIEISA-N 2 0 334.380 -1.394 20 0 EAADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158430611 793359008 /nfs/dbraw/zinc/35/90/08/793359008.db2.gz KCOZWBZDJHZGEZ-SNVBAGLBSA-N 2 0 334.380 -1.394 20 0 EAADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001158432364 793359835 /nfs/dbraw/zinc/35/98/35/793359835.db2.gz UZIXNMOPIHGZFH-BDJLRTHQSA-N 2 0 348.407 -1.004 20 0 EAADRP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486094 793359529 /nfs/dbraw/zinc/35/95/29/793359529.db2.gz FNSUNVNYVUKWLC-CHWSQXEVSA-N 2 0 333.454 -1.010 20 0 EAADRP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486095 793359058 /nfs/dbraw/zinc/35/90/58/793359058.db2.gz FNSUNVNYVUKWLC-OLZOCXBDSA-N 2 0 333.454 -1.010 20 0 EAADRP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486096 793359340 /nfs/dbraw/zinc/35/93/40/793359340.db2.gz FNSUNVNYVUKWLC-QWHCGFSZSA-N 2 0 333.454 -1.010 20 0 EAADRP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486097 793359285 /nfs/dbraw/zinc/35/92/85/793359285.db2.gz FNSUNVNYVUKWLC-STQMWFEESA-N 2 0 333.454 -1.010 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486589 793359266 /nfs/dbraw/zinc/35/92/66/793359266.db2.gz OXMXVKNXGVBIEW-GHMZBOCLSA-N 2 0 327.385 -1.860 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486590 793359943 /nfs/dbraw/zinc/35/99/43/793359943.db2.gz OXMXVKNXGVBIEW-MNOVXSKESA-N 2 0 327.385 -1.860 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486591 793359147 /nfs/dbraw/zinc/35/91/47/793359147.db2.gz OXMXVKNXGVBIEW-QWRGUYRKSA-N 2 0 327.385 -1.860 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486592 793358432 /nfs/dbraw/zinc/35/84/32/793358432.db2.gz OXMXVKNXGVBIEW-WDEREUQCSA-N 2 0 327.385 -1.860 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486836 793359231 /nfs/dbraw/zinc/35/92/31/793359231.db2.gz SNHWSAYTTCKDMM-NEPJUHHUSA-N 2 0 341.412 -1.599 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486837 793359134 /nfs/dbraw/zinc/35/91/34/793359134.db2.gz SNHWSAYTTCKDMM-NWDGAFQWSA-N 2 0 341.412 -1.599 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486838 793358546 /nfs/dbraw/zinc/35/85/46/793358546.db2.gz SNHWSAYTTCKDMM-RYUDHWBXSA-N 2 0 341.412 -1.599 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486839 793358676 /nfs/dbraw/zinc/35/86/76/793358676.db2.gz SNHWSAYTTCKDMM-VXGBXAGGSA-N 2 0 341.412 -1.599 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])CCCNC(N)=O ZINC001158496211 793358807 /nfs/dbraw/zinc/35/88/07/793358807.db2.gz KYWSFYWIZZDGEG-FIQHERPVSA-N 2 0 341.412 -1.486 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001158496212 793359426 /nfs/dbraw/zinc/35/94/26/793359426.db2.gz KYWSFYWIZZDGEG-WHOHXGKFSA-N 2 0 341.412 -1.486 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001158496299 793358908 /nfs/dbraw/zinc/35/89/08/793358908.db2.gz MJIDLZQTYFHLRF-KQXIARHKSA-N 2 0 336.392 -1.784 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001158496300 793359780 /nfs/dbraw/zinc/35/97/80/793359780.db2.gz MJIDLZQTYFHLRF-MEWQQHAOSA-N 2 0 336.392 -1.784 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158496461 793359302 /nfs/dbraw/zinc/35/93/02/793359302.db2.gz NZWQPIOVHUYPPB-RKWLLSJHSA-N 3 0 336.436 -1.063 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001158496613 793358465 /nfs/dbraw/zinc/35/84/65/793358465.db2.gz VHTWXXAQCOVTFG-QNWHQSFQSA-N 2 0 338.408 -1.931 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001158496614 793359733 /nfs/dbraw/zinc/35/97/33/793359733.db2.gz VHTWXXAQCOVTFG-ZDEQEGDKSA-N 2 0 338.408 -1.931 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158497536 793358285 /nfs/dbraw/zinc/35/82/85/793358285.db2.gz BDBKNDVEYZCSQP-FIQHERPVSA-N 3 0 330.454 -1.242 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O ZINC001158497561 793359618 /nfs/dbraw/zinc/35/96/18/793359618.db2.gz CBMHAGSUGLQBDV-MEBFFEOJSA-N 2 0 339.392 -1.111 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]C[C@H]1OC(C)=O ZINC001158497562 793358349 /nfs/dbraw/zinc/35/83/49/793358349.db2.gz CBMHAGSUGLQBDV-QSLWVIQJSA-N 2 0 339.392 -1.111 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O ZINC001158497563 793358695 /nfs/dbraw/zinc/35/86/95/793358695.db2.gz CBMHAGSUGLQBDV-VJTDZRGJSA-N 2 0 339.392 -1.111 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]C[C@@H]1OC(C)=O ZINC001158497564 793358767 /nfs/dbraw/zinc/35/87/67/793358767.db2.gz CBMHAGSUGLQBDV-YHQUGGNUSA-N 2 0 339.392 -1.111 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]([NH3+])CCC(N)=O ZINC001158497769 793359409 /nfs/dbraw/zinc/35/94/09/793359409.db2.gz HDZQTVWECAUURA-FIQHERPVSA-N 2 0 326.397 -1.279 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001158498254 793361068 /nfs/dbraw/zinc/36/10/68/793361068.db2.gz NHNPBEQNHYIWSV-ZDEQEGDKSA-N 2 0 338.408 -1.393 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158498284 793361257 /nfs/dbraw/zinc/36/12/57/793361257.db2.gz NTQGVICFLVSTDL-ZDEQEGDKSA-N 2 0 338.408 -1.312 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)COCCOCC[NH3+] ZINC001158499108 793360762 /nfs/dbraw/zinc/36/07/62/793360762.db2.gz WJGSOSVXKAYYCX-RWMBFGLXSA-N 2 0 329.397 -1.270 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C1(C(=O)OCC)C[NH2+]C1 ZINC001158499162 793361175 /nfs/dbraw/zinc/36/11/75/793361175.db2.gz XOLLAZZUAMIXFT-SDDRHHMPSA-N 2 0 339.392 -1.109 20 0 EAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001158505937 793361161 /nfs/dbraw/zinc/36/11/61/793361161.db2.gz IJZSKEUTDIHPSY-UHFZAUJKSA-N 2 0 342.396 -2.437 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507067 793360954 /nfs/dbraw/zinc/36/09/54/793360954.db2.gz PFPYACCHVWEAJS-CHWSQXEVSA-N 2 0 348.469 -1.505 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507068 793361122 /nfs/dbraw/zinc/36/11/22/793361122.db2.gz PFPYACCHVWEAJS-OLZOCXBDSA-N 2 0 348.469 -1.505 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507069 793360334 /nfs/dbraw/zinc/36/03/34/793360334.db2.gz PFPYACCHVWEAJS-QWHCGFSZSA-N 2 0 348.469 -1.505 20 0 EAADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507070 793360126 /nfs/dbraw/zinc/36/01/26/793360126.db2.gz PFPYACCHVWEAJS-STQMWFEESA-N 2 0 348.469 -1.505 20 0 EAADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507712 793360799 /nfs/dbraw/zinc/36/07/99/793360799.db2.gz PUFFFAYSPCYLNN-KBPBESRZSA-N 2 0 339.440 -1.029 20 0 EAADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507714 793360918 /nfs/dbraw/zinc/36/09/18/793360918.db2.gz PUFFFAYSPCYLNN-KGLIPLIRSA-N 2 0 339.440 -1.029 20 0 EAADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507716 793361318 /nfs/dbraw/zinc/36/13/18/793361318.db2.gz PUFFFAYSPCYLNN-UONOGXRCSA-N 2 0 339.440 -1.029 20 0 EAADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507719 793360938 /nfs/dbraw/zinc/36/09/38/793360938.db2.gz PUFFFAYSPCYLNN-ZIAGYGMSSA-N 2 0 339.440 -1.029 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533559 793360791 /nfs/dbraw/zinc/36/07/91/793360791.db2.gz NVLZAQJHMJMMNG-OUCADQQQSA-N 2 0 346.453 -1.814 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533560 793360425 /nfs/dbraw/zinc/36/04/25/793360425.db2.gz NVLZAQJHMJMMNG-YRGRVCCFSA-N 2 0 346.453 -1.814 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535679 793361240 /nfs/dbraw/zinc/36/12/40/793361240.db2.gz YVTWVEXCUGHQFO-FUTJPDQTSA-N 2 0 325.413 -1.258 20 0 EAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535680 793361046 /nfs/dbraw/zinc/36/10/46/793361046.db2.gz YVTWVEXCUGHQFO-MCYUEQNJSA-N 2 0 325.413 -1.258 20 0 EAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535683 793361453 /nfs/dbraw/zinc/36/14/53/793361453.db2.gz YVTWVEXCUGHQFO-OZTPJHRESA-N 2 0 325.413 -1.258 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535684 793361224 /nfs/dbraw/zinc/36/12/24/793361224.db2.gz YVTWVEXCUGHQFO-RTWAVKEYSA-N 2 0 325.413 -1.258 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546263 793360511 /nfs/dbraw/zinc/36/05/11/793360511.db2.gz IWRAXZNPQFBATM-MVIRXUPPSA-N 2 0 326.397 -2.210 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546264 793360745 /nfs/dbraw/zinc/36/07/45/793360745.db2.gz IWRAXZNPQFBATM-QKZHPOIUSA-N 2 0 326.397 -2.210 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548731 793360486 /nfs/dbraw/zinc/36/04/86/793360486.db2.gz YCPICKJSVRPCNR-DNNBLBMLSA-N 3 0 337.468 -1.284 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548732 793360397 /nfs/dbraw/zinc/36/03/97/793360397.db2.gz YCPICKJSVRPCNR-DPAVQSFQSA-N 3 0 337.468 -1.284 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548733 793360459 /nfs/dbraw/zinc/36/04/59/793360459.db2.gz YCPICKJSVRPCNR-JJAZEVLHSA-N 3 0 337.468 -1.284 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548734 793360776 /nfs/dbraw/zinc/36/07/76/793360776.db2.gz YCPICKJSVRPCNR-PWXKEOIMSA-N 3 0 337.468 -1.284 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576991 793362760 /nfs/dbraw/zinc/36/27/60/793362760.db2.gz FWXNQEBHWUBLMT-MMWGEVLESA-N 2 0 343.403 -1.771 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158576995 793362191 /nfs/dbraw/zinc/36/21/91/793362191.db2.gz FWXNQEBHWUBLMT-NAKRPEOUSA-N 2 0 343.403 -1.771 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158576997 793362223 /nfs/dbraw/zinc/36/22/23/793362223.db2.gz FWXNQEBHWUBLMT-VLEAKVRGSA-N 2 0 343.403 -1.771 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576998 793362206 /nfs/dbraw/zinc/36/22/06/793362206.db2.gz FWXNQEBHWUBLMT-ZDCRXTMVSA-N 2 0 343.403 -1.771 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579601 793361723 /nfs/dbraw/zinc/36/17/23/793361723.db2.gz VRAGANALPVFDNU-GHMZBOCLSA-N 2 0 336.433 -1.258 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579602 793361899 /nfs/dbraw/zinc/36/18/99/793361899.db2.gz VRAGANALPVFDNU-MNOVXSKESA-N 2 0 336.433 -1.258 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579603 793362323 /nfs/dbraw/zinc/36/23/23/793362323.db2.gz VRAGANALPVFDNU-QWRGUYRKSA-N 2 0 336.433 -1.258 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579604 787134531 /nfs/dbraw/zinc/13/45/31/787134531.db2.gz VRAGANALPVFDNU-WDEREUQCSA-N 2 0 336.433 -1.258 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001158734510 793365316 /nfs/dbraw/zinc/36/53/16/793365316.db2.gz AUNQGTUTFZSZHJ-WPRPVWTQSA-N 2 0 343.409 -1.702 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CNCC[NH3+] ZINC001158734540 793364367 /nfs/dbraw/zinc/36/43/67/793364367.db2.gz CLQQLFONCHINMY-UHFFFAOYSA-N 2 0 331.398 -1.843 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CNCCC[NH3+] ZINC001158734655 793364469 /nfs/dbraw/zinc/36/44/69/793364469.db2.gz FGALERKVDCKAEZ-UHFFFAOYSA-N 2 0 345.425 -1.453 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001158735038 793364742 /nfs/dbraw/zinc/36/47/42/793364742.db2.gz LEJVEWUXPXZPPN-WPRPVWTQSA-N 2 0 343.409 -1.845 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H](N)CC[NH3+] ZINC001158735103 793364273 /nfs/dbraw/zinc/36/42/73/793364273.db2.gz NJZOQCGIYWITJN-VIFPVBQESA-N 2 0 331.398 -1.715 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[C@@H](O)C[NH3+] ZINC001158735113 793365036 /nfs/dbraw/zinc/36/50/36/793365036.db2.gz NUTVNXNJALGWDF-MRVPVSSYSA-N 2 0 332.382 -1.682 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[C@H](O)C[NH3+] ZINC001158735114 793364689 /nfs/dbraw/zinc/36/46/89/793364689.db2.gz NUTVNXNJALGWDF-QMMMGPOBSA-N 2 0 332.382 -1.682 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001158735120 793364867 /nfs/dbraw/zinc/36/48/67/793364867.db2.gz OIVAFMYYGSKIQP-PSASIEDQSA-N 2 0 344.393 -1.669 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001158735121 793365346 /nfs/dbraw/zinc/36/53/46/793365346.db2.gz OIVAFMYYGSKIQP-WPRPVWTQSA-N 2 0 344.393 -1.669 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001158735175 793364941 /nfs/dbraw/zinc/36/49/41/793364941.db2.gz QIGVBTGMSXFBND-JQWIXIFHSA-N 2 0 344.393 -1.669 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001158735176 793365207 /nfs/dbraw/zinc/36/52/07/793365207.db2.gz QIGVBTGMSXFBND-PWSUYJOCSA-N 2 0 344.393 -1.669 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[NH2+]CCN1 ZINC001158735251 793365223 /nfs/dbraw/zinc/36/52/23/793365223.db2.gz SLWYDHLADHZDQT-JTQLQIEISA-N 2 0 343.409 -1.830 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]CCN1 ZINC001158735252 793365152 /nfs/dbraw/zinc/36/51/52/793365152.db2.gz SLWYDHLADHZDQT-SNVBAGLBSA-N 2 0 343.409 -1.830 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001158735534 793364531 /nfs/dbraw/zinc/36/45/31/793364531.db2.gz VGPXPUQFJZUALO-CYBMUJFWSA-N 2 0 343.409 -1.701 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@]1(N)CC[NH2+]C1 ZINC001158735536 793364971 /nfs/dbraw/zinc/36/49/71/793364971.db2.gz VGPXPUQFJZUALO-ZDUSSCGKSA-N 2 0 343.409 -1.701 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001158736040 793365134 /nfs/dbraw/zinc/36/51/34/793365134.db2.gz ZTMFZQKETXSHCO-GXSJLCMTSA-N 2 0 344.393 -1.811 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001158736042 793365356 /nfs/dbraw/zinc/36/53/56/793365356.db2.gz ZTMFZQKETXSHCO-KOLCDFICSA-N 2 0 344.393 -1.811 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001158736044 793365187 /nfs/dbraw/zinc/36/51/87/793365187.db2.gz ZTMFZQKETXSHCO-MWLCHTKSSA-N 2 0 344.393 -1.811 20 0 EAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001158736045 793364762 /nfs/dbraw/zinc/36/47/62/793364762.db2.gz ZTMFZQKETXSHCO-ONGXEEELSA-N 2 0 344.393 -1.811 20 0 EAADRP CN(C[C@@H](O)CO)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158798210 793366167 /nfs/dbraw/zinc/36/61/67/793366167.db2.gz GPOQVCHREFLIEM-AGIUHOORSA-N 2 0 330.429 -1.755 20 0 EAADRP CN(C[C@H](O)CO)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158798211 793366773 /nfs/dbraw/zinc/36/67/73/793366773.db2.gz GPOQVCHREFLIEM-AVGNSLFASA-N 2 0 330.429 -1.755 20 0 EAADRP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001158811521 793365866 /nfs/dbraw/zinc/36/58/66/793365866.db2.gz WKVVSWPYNGRLAN-CYBMUJFWSA-N 2 0 342.440 -1.163 20 0 EAADRP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001158811522 793366610 /nfs/dbraw/zinc/36/66/10/793366610.db2.gz WKVVSWPYNGRLAN-ZDUSSCGKSA-N 2 0 342.440 -1.163 20 0 EAADRP [NH3+]CCC[NH2+]CC(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821323 793365604 /nfs/dbraw/zinc/36/56/04/793365604.db2.gz HSGUHLQUYBPFDZ-UHFFFAOYSA-N 2 0 337.428 -1.609 20 0 EAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821591 793365635 /nfs/dbraw/zinc/36/56/35/793365635.db2.gz NGTHDZCVQGRVTP-GFCCVEGCSA-N 2 0 337.428 -1.481 20 0 EAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821592 793366488 /nfs/dbraw/zinc/36/64/88/793366488.db2.gz NGTHDZCVQGRVTP-LBPRGKRZSA-N 2 0 337.428 -1.481 20 0 EAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158890501 793368454 /nfs/dbraw/zinc/36/84/54/793368454.db2.gz FUTQPBWIGRMDNK-AWEZNQCLSA-N 3 0 349.479 -1.002 20 0 EAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158890502 793367861 /nfs/dbraw/zinc/36/78/61/793367861.db2.gz FUTQPBWIGRMDNK-CQSZACIVSA-N 3 0 349.479 -1.002 20 0 EAADRP NC1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC[NH2+]CC1 ZINC001158967570 793368358 /nfs/dbraw/zinc/36/83/58/793368358.db2.gz BSRLMAGQSLJNIS-OLZOCXBDSA-N 2 0 332.408 -1.027 20 0 EAADRP CS(=O)(=O)c1nc2c(c(NC[C@H]3COCC[NH2+]3)n1)CC[NH2+]CC2 ZINC001159035173 793373067 /nfs/dbraw/zinc/37/30/67/793373067.db2.gz DSMZPHNMPQLQAD-JTQLQIEISA-N 2 0 341.437 -1.031 20 0 EAADRP CS(=O)(=O)c1nc2c(c(NC[C@@H]3COCC[NH2+]3)n1)CC[NH2+]CC2 ZINC001159035194 793374284 /nfs/dbraw/zinc/37/42/84/793374284.db2.gz DSMZPHNMPQLQAD-SNVBAGLBSA-N 2 0 341.437 -1.031 20 0 EAADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001159084826 793373347 /nfs/dbraw/zinc/37/33/47/793373347.db2.gz MEIWCQZXQOREDW-HZSPNIEDSA-N 2 0 344.419 -1.065 20 0 EAADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001159084827 793373103 /nfs/dbraw/zinc/37/31/03/793373103.db2.gz MEIWCQZXQOREDW-MELADBBJSA-N 2 0 344.419 -1.065 20 0 EAADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001159109438 793374167 /nfs/dbraw/zinc/37/41/67/793374167.db2.gz VYUFJKMZNIRYFK-XJFOESAGSA-N 2 0 336.436 -1.205 20 0 EAADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001159109439 793373913 /nfs/dbraw/zinc/37/39/13/793373913.db2.gz VYUFJKMZNIRYFK-ZOBORPQBSA-N 2 0 336.436 -1.205 20 0 EAADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001159133140 793374684 /nfs/dbraw/zinc/37/46/84/793374684.db2.gz HGXNWXTTYJIXGQ-KBPBESRZSA-N 2 0 348.451 -1.267 20 0 EAADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001159133142 793374569 /nfs/dbraw/zinc/37/45/69/793374569.db2.gz HGXNWXTTYJIXGQ-KGLIPLIRSA-N 2 0 348.451 -1.267 20 0 EAADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001159133145 793374650 /nfs/dbraw/zinc/37/46/50/793374650.db2.gz HGXNWXTTYJIXGQ-UONOGXRCSA-N 2 0 348.451 -1.267 20 0 EAADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001159133147 793374708 /nfs/dbraw/zinc/37/47/08/793374708.db2.gz HGXNWXTTYJIXGQ-ZIAGYGMSSA-N 2 0 348.451 -1.267 20 0 EAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H](N)CC[NH3+])CC2 ZINC001159189231 793374733 /nfs/dbraw/zinc/37/47/33/793374733.db2.gz BKRRQMHYGHAQDV-NSHDSACASA-N 2 0 338.412 -1.473 20 0 EAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C[C@H](O)C[NH3+])CC2 ZINC001159190945 793375971 /nfs/dbraw/zinc/37/59/71/793375971.db2.gz OKJYDEADMGUEOK-JTQLQIEISA-N 2 0 339.396 -1.440 20 0 EAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C[C@@H](O)C[NH3+])CC2 ZINC001159190946 793375899 /nfs/dbraw/zinc/37/58/99/793375899.db2.gz OKJYDEADMGUEOK-SNVBAGLBSA-N 2 0 339.396 -1.440 20 0 EAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CNCC[NH3+])CC2 ZINC001159191577 793376317 /nfs/dbraw/zinc/37/63/17/793376317.db2.gz INJINHAEOYDXBJ-UHFFFAOYSA-N 2 0 338.412 -1.601 20 0 EAADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)C[C@@H]21 ZINC001159201992 793375997 /nfs/dbraw/zinc/37/59/97/793375997.db2.gz CKUSQJMIQIVOFW-HTVCTNPSSA-N 2 0 339.440 -1.190 20 0 EAADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001159201994 793376792 /nfs/dbraw/zinc/37/67/92/793376792.db2.gz CKUSQJMIQIVOFW-ZUWCUPBKSA-N 2 0 339.440 -1.190 20 0 EAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272162 793381339 /nfs/dbraw/zinc/38/13/39/793381339.db2.gz JECCJHAEQQRSRU-MCIONIFRSA-N 2 0 344.419 -1.298 20 0 EAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272165 793381797 /nfs/dbraw/zinc/38/17/97/793381797.db2.gz JECCJHAEQQRSRU-MJBXVCDLSA-N 2 0 344.419 -1.298 20 0 EAADRP O=C([C@H]1C[NH2+]CCN1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403227 793384737 /nfs/dbraw/zinc/38/47/37/793384737.db2.gz ODBKTMLTNPHWIU-BYNSBNAKSA-N 2 0 346.435 -1.005 20 0 EAADRP O=C([C@@H]1C[NH2+]CCN1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403228 793384571 /nfs/dbraw/zinc/38/45/71/793384571.db2.gz ODBKTMLTNPHWIU-ZQDZILKHSA-N 2 0 346.435 -1.005 20 0 EAADRP [NH3+]CCNCC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403949 793385401 /nfs/dbraw/zinc/38/54/01/793385401.db2.gz RVVQIADSMXEGKO-MELADBBJSA-N 2 0 334.424 -1.018 20 0 EAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159404314 793384519 /nfs/dbraw/zinc/38/45/19/793384519.db2.gz YSCVWSGTOARYFI-YYFQZIEXSA-N 2 0 346.435 -1.019 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C[C@H](O)C[NH3+])CC3)CC1 ZINC001159416486 793386290 /nfs/dbraw/zinc/38/62/90/793386290.db2.gz AVZFOESAIKKQDF-AWEZNQCLSA-N 2 0 336.440 -1.318 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C[C@@H](O)C[NH3+])CC3)CC1 ZINC001159416491 793386830 /nfs/dbraw/zinc/38/68/30/793386830.db2.gz AVZFOESAIKKQDF-CQSZACIVSA-N 2 0 336.440 -1.318 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2C[NH2+]CCN2)CC3)CC1 ZINC001159416773 793386056 /nfs/dbraw/zinc/38/60/56/793386056.db2.gz GPMJWDUGZFQORY-OAHLLOKOSA-N 2 0 347.467 -1.466 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC3)CC1 ZINC001159417045 793387080 /nfs/dbraw/zinc/38/70/80/793387080.db2.gz KOBBSZLHOKPPJH-GJZGRUSLSA-N 2 0 348.451 -1.305 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC3)CC1 ZINC001159417046 793385892 /nfs/dbraw/zinc/38/58/92/793385892.db2.gz KOBBSZLHOKPPJH-HUUCEWRRSA-N 2 0 348.451 -1.305 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)CC[NH3+])CC3)CC1 ZINC001159417178 793386657 /nfs/dbraw/zinc/38/66/57/793386657.db2.gz LRAJXBFSHJGPKC-AWEZNQCLSA-N 2 0 335.456 -1.351 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC3)CC1 ZINC001159424165 793387040 /nfs/dbraw/zinc/38/70/40/793387040.db2.gz CNDMGRKOGYLZBF-HOCLYGCPSA-N 2 0 348.451 -1.305 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC3)CC1 ZINC001159424166 793386001 /nfs/dbraw/zinc/38/60/01/793386001.db2.gz CNDMGRKOGYLZBF-ZBFHGGJFSA-N 2 0 348.451 -1.305 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC3)CC1 ZINC001159424910 793387154 /nfs/dbraw/zinc/38/71/54/793387154.db2.gz NEZQANUYFOSZRB-GJZGRUSLSA-N 2 0 347.467 -1.481 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C[NH2+]CCC[NH3+])CC3)CC1 ZINC001159425030 793386278 /nfs/dbraw/zinc/38/62/78/793386278.db2.gz OYQLCIDXLJGJBC-UHFFFAOYSA-N 3 0 349.483 -1.089 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CNCC[NH3+])CC3)CC1 ZINC001159426005 793387317 /nfs/dbraw/zinc/38/73/17/793387317.db2.gz UVVFJBLBHVPFBA-UHFFFAOYSA-N 2 0 335.456 -1.479 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@]2(N)CC[NH2+]C2)CC3)CC1 ZINC001159426468 793387266 /nfs/dbraw/zinc/38/72/66/793387266.db2.gz XTKOGUBEEKSRQJ-KRWDZBQOSA-N 2 0 347.467 -1.337 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@]2(N)CC[NH2+]C2)CC3)CC1 ZINC001159426469 793385933 /nfs/dbraw/zinc/38/59/33/793385933.db2.gz XTKOGUBEEKSRQJ-QGZVFWFLSA-N 2 0 347.467 -1.337 20 0 EAADRP CN(CC[NH3+])CCNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001159432003 793386486 /nfs/dbraw/zinc/38/64/86/793386486.db2.gz PFQVKPUIKNTCRO-UHFFFAOYSA-N 2 0 342.469 -1.129 20 0 EAADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]2C[NH2+]CC24C[NH2+]C4)C3)n1 ZINC001159471845 793387064 /nfs/dbraw/zinc/38/70/64/793387064.db2.gz LMLJMTBJUJXDJW-BFQNTYOBSA-N 2 0 333.392 -1.087 20 0 EAADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H]2C[NH2+]CC24C[NH2+]C4)C3)n1 ZINC001159471846 793387019 /nfs/dbraw/zinc/38/70/19/793387019.db2.gz LMLJMTBJUJXDJW-XHBSWPGZSA-N 2 0 333.392 -1.087 20 0 EAADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493410 793386033 /nfs/dbraw/zinc/38/60/33/793386033.db2.gz ODFKEUPLNQFBHV-UHFFFAOYSA-N 2 0 336.396 -1.337 20 0 EAADRP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001159519580 793388860 /nfs/dbraw/zinc/38/88/60/793388860.db2.gz IQNPEYMBKJDGNA-UHFFFAOYSA-N 2 0 337.428 -1.073 20 0 EAADRP O=C(N[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@@H]2COC[C@H]12)C1CCC1 ZINC001159598745 793387711 /nfs/dbraw/zinc/38/77/11/793387711.db2.gz CBPREATUIMJFDM-KBUPBQIOSA-N 2 0 348.447 -1.063 20 0 EAADRP O=C(N[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@@H]2COC[C@H]12)C1CCC1 ZINC001159598746 793389129 /nfs/dbraw/zinc/38/91/29/793389129.db2.gz CBPREATUIMJFDM-LXTVHRRPSA-N 2 0 348.447 -1.063 20 0 EAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159608234 793387897 /nfs/dbraw/zinc/38/78/97/793387897.db2.gz HNOGYCRDBGAZIZ-ZDUSSCGKSA-N 2 0 340.472 -2.031 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC[C@@H]2C1 ZINC001159634266 793388348 /nfs/dbraw/zinc/38/83/48/793388348.db2.gz AFALLQLVDHHRLV-CBBWQLFWSA-N 2 0 327.425 -1.095 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC[C@@H]2C1 ZINC001159634267 793388190 /nfs/dbraw/zinc/38/81/90/793388190.db2.gz AFALLQLVDHHRLV-KBUPBQIOSA-N 2 0 327.425 -1.095 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)CC[C@@H]2C1 ZINC001159634348 793388695 /nfs/dbraw/zinc/38/86/95/793388695.db2.gz BCVPECGFPCYWMT-QLFBSQMISA-N 2 0 326.441 -1.257 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC[C@@H]2C1 ZINC001159635296 793388077 /nfs/dbraw/zinc/38/80/77/793388077.db2.gz KEJGTRSTDFQTSR-CBBWQLFWSA-N 2 0 326.441 -1.271 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC[C@@H]2C1 ZINC001159635327 793388879 /nfs/dbraw/zinc/38/88/79/793388879.db2.gz LJQICSUDNCIVFB-APIJFGDWSA-N 2 0 326.441 -1.129 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)CC[C@@H]2C1 ZINC001159635328 793389088 /nfs/dbraw/zinc/38/90/88/793389088.db2.gz LJQICSUDNCIVFB-CBBWQLFWSA-N 2 0 326.441 -1.129 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC[C@@H]2C1 ZINC001159635627 793388003 /nfs/dbraw/zinc/38/80/03/793388003.db2.gz PJWFTKACQYNLQJ-APIJFGDWSA-N 2 0 327.425 -1.238 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC[C@@H]2C1 ZINC001159635632 793388508 /nfs/dbraw/zinc/38/85/08/793388508.db2.gz PJWFTKACQYNLQJ-CBBWQLFWSA-N 2 0 327.425 -1.238 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)CC[C@@H]2C1 ZINC001159635634 793388589 /nfs/dbraw/zinc/38/85/89/793388589.db2.gz PJWFTKACQYNLQJ-KBUPBQIOSA-N 2 0 327.425 -1.238 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC[C@@H]2C1 ZINC001159635636 793389145 /nfs/dbraw/zinc/38/91/45/793389145.db2.gz PJWFTKACQYNLQJ-LXTVHRRPSA-N 2 0 327.425 -1.238 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)CC[C@@H]2C1 ZINC001159636079 793388570 /nfs/dbraw/zinc/38/85/70/793388570.db2.gz RKUPDNLJHBFIDI-FMKPAKJESA-N 2 0 326.441 -1.127 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)CC[C@@H]2C1 ZINC001159636080 793388760 /nfs/dbraw/zinc/38/87/60/793388760.db2.gz RKUPDNLJHBFIDI-IIAWOOMASA-N 2 0 326.441 -1.127 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC[C@@H]2C1 ZINC001159637155 793388680 /nfs/dbraw/zinc/38/86/80/793388680.db2.gz XPUPRIWRPWXVQT-BARDWOONSA-N 2 0 327.425 -1.095 20 0 EAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC[C@@H]2C1 ZINC001159637156 793388486 /nfs/dbraw/zinc/38/84/86/793388486.db2.gz XPUPRIWRPWXVQT-TUVASFSCSA-N 2 0 327.425 -1.095 20 0 EAADRP CS(=O)(=O)c1nc2c(c(N[C@@H]3C[NH2+]C[C@@H]3CO)n1)CC[NH2+]CC2 ZINC001159672963 793389371 /nfs/dbraw/zinc/38/93/71/793389371.db2.gz UDKRDXQZFNPWNU-BXKDBHETSA-N 2 0 341.437 -1.440 20 0 EAADRP CS(=O)(=O)c1nc2c(c(N[C@H]3C[NH2+]C[C@H]3CO)n1)CC[NH2+]CC2 ZINC001159672964 793390252 /nfs/dbraw/zinc/39/02/52/793390252.db2.gz UDKRDXQZFNPWNU-CABZTGNLSA-N 2 0 341.437 -1.440 20 0 EAADRP CS(=O)(=O)c1nc2c(c(N[C@@H]3C[NH2+]C[C@H]3CO)n1)CC[NH2+]CC2 ZINC001159672965 793389298 /nfs/dbraw/zinc/38/92/98/793389298.db2.gz UDKRDXQZFNPWNU-JOYOIKCWSA-N 2 0 341.437 -1.440 20 0 EAADRP CS(=O)(=O)c1nc2c(c(N[C@H]3C[NH2+]C[C@@H]3CO)n1)CC[NH2+]CC2 ZINC001159672966 793389337 /nfs/dbraw/zinc/38/93/37/793389337.db2.gz UDKRDXQZFNPWNU-SKDRFNHKSA-N 2 0 341.437 -1.440 20 0 EAADRP COc1nc(N[C@H]([NH3+])CCC[NH3+])nc(N2CCn3ccnc3C2)n1 ZINC001159787943 793389573 /nfs/dbraw/zinc/38/95/73/793389573.db2.gz FXANCXOKQFNRRP-JTQLQIEISA-N 2 0 333.400 -1.046 20 0 EAADRP COc1nc(N[C@@H]([NH3+])CCC[NH3+])nc(N2CCn3ccnc3C2)n1 ZINC001159787944 793389423 /nfs/dbraw/zinc/38/94/23/793389423.db2.gz FXANCXOKQFNRRP-SNVBAGLBSA-N 2 0 333.400 -1.046 20 0 EAADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CCC1 ZINC001159853248 793391245 /nfs/dbraw/zinc/39/12/45/793391245.db2.gz BHEUQCPHRYYYGM-UHFFFAOYSA-N 2 0 339.440 -1.475 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001159915618 793392248 /nfs/dbraw/zinc/39/22/48/793392248.db2.gz LCVRAXIAAAVQMC-HNNXBMFYSA-N 2 0 339.440 -1.619 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001159915620 793393286 /nfs/dbraw/zinc/39/32/86/793393286.db2.gz LCVRAXIAAAVQMC-OAHLLOKOSA-N 2 0 339.440 -1.619 20 0 EAADRP COCCN1CCO[C@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@H]2C1=O ZINC001159917288 793392072 /nfs/dbraw/zinc/39/20/72/793392072.db2.gz HFZGKBJKBSMZJT-MCIONIFRSA-N 2 0 342.440 -1.225 20 0 EAADRP COCCN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@H]2C1=O ZINC001159917292 793391716 /nfs/dbraw/zinc/39/17/16/793391716.db2.gz HFZGKBJKBSMZJT-RDBSUJKOSA-N 2 0 342.440 -1.225 20 0 EAADRP COCCN1CCO[C@H]2CN(C(=O)C[NH2+]CCC[NH3+])CC[C@H]2C1=O ZINC001159919100 793393183 /nfs/dbraw/zinc/39/31/83/793393183.db2.gz ZTLXXRHUPOCLLL-KGLIPLIRSA-N 2 0 342.440 -1.353 20 0 EAADRP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001159929710 793391736 /nfs/dbraw/zinc/39/17/36/793391736.db2.gz JXBSZBBRJJDCAD-AWEZNQCLSA-N 2 0 335.412 -1.417 20 0 EAADRP CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001159929711 793393078 /nfs/dbraw/zinc/39/30/78/793393078.db2.gz JXBSZBBRJJDCAD-CQSZACIVSA-N 2 0 335.412 -1.417 20 0 EAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCn2c(CNC(C)=O)nnc2C1 ZINC001159930340 793392017 /nfs/dbraw/zinc/39/20/17/793392017.db2.gz QYLIFDJBTFHULI-LBPRGKRZSA-N 2 0 337.428 -1.027 20 0 EAADRP CC(=O)NCc1nnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001159930782 793391841 /nfs/dbraw/zinc/39/18/41/793391841.db2.gz TZIISWYPHVQVNA-MLGOLLRUSA-N 2 0 347.423 -1.545 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159930793 793392902 /nfs/dbraw/zinc/39/29/02/793392902.db2.gz XNWUKAXCRRVDBU-XDQVBPFNSA-N 2 0 341.456 -1.953 20 0 EAADRP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159930948 793393165 /nfs/dbraw/zinc/39/31/65/793393165.db2.gz ZNJOYPFKZRPHJO-JTQLQIEISA-N 2 0 341.441 -1.724 20 0 EAADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001159931269 793393384 /nfs/dbraw/zinc/39/33/84/793393384.db2.gz BTXAVEJHQJNCLQ-CYBMUJFWSA-N 2 0 325.413 -1.026 20 0 EAADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001159931271 793393251 /nfs/dbraw/zinc/39/32/51/793393251.db2.gz BTXAVEJHQJNCLQ-ZDUSSCGKSA-N 2 0 325.413 -1.026 20 0 EAADRP CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159931539 793393141 /nfs/dbraw/zinc/39/31/41/793393141.db2.gz ZSJRGMKEXDDKBT-LLVKDONJSA-N 2 0 333.396 -1.935 20 0 EAADRP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159931540 793391646 /nfs/dbraw/zinc/39/16/46/793391646.db2.gz ZSJRGMKEXDDKBT-NSHDSACASA-N 2 0 333.396 -1.935 20 0 EAADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CCC1 ZINC001159997161 793394591 /nfs/dbraw/zinc/39/45/91/793394591.db2.gz IMHFYSHRGHPHGR-UHFFFAOYSA-N 2 0 339.440 -1.475 20 0 EAADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)[C@H]2C1 ZINC001159998924 793394773 /nfs/dbraw/zinc/39/47/73/793394773.db2.gz OYXSSLYVWJRPCC-AGIUHOORSA-N 2 0 342.465 -1.322 20 0 EAADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)[C@H]2C1 ZINC001159998925 793394234 /nfs/dbraw/zinc/39/42/34/793394234.db2.gz OYXSSLYVWJRPCC-UPJWGTAASA-N 2 0 342.465 -1.322 20 0 EAADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]2C1 ZINC001160007264 793393622 /nfs/dbraw/zinc/39/36/22/793393622.db2.gz HWGVMLQIVCGPPV-AGIUHOORSA-N 2 0 347.485 -1.361 20 0 EAADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]2C1 ZINC001160007265 793393528 /nfs/dbraw/zinc/39/35/28/793393528.db2.gz HWGVMLQIVCGPPV-FRRDWIJNSA-N 2 0 347.485 -1.361 20 0 EAADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)C[NH2+]CCC[NH3+])C[C@H]2C1 ZINC001160007497 793394216 /nfs/dbraw/zinc/39/42/16/793394216.db2.gz KNNHASOYBUOTTC-OLZOCXBDSA-N 2 0 347.485 -1.489 20 0 EAADRP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)C[NH2+]CCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160086464 793397014 /nfs/dbraw/zinc/39/70/14/793397014.db2.gz WSMDUFHGPCZDKM-UMVBOHGHSA-N 2 0 349.435 -1.081 20 0 EAADRP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]21 ZINC001160093409 793397284 /nfs/dbraw/zinc/39/72/84/793397284.db2.gz FNPKTXIZNQECEX-BARDWOONSA-N 2 0 337.468 -1.034 20 0 EAADRP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]21 ZINC001160093410 793397772 /nfs/dbraw/zinc/39/77/72/793397772.db2.gz FNPKTXIZNQECEX-LJISPDSOSA-N 2 0 337.468 -1.034 20 0 EAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155039 793396596 /nfs/dbraw/zinc/39/65/96/793396596.db2.gz DAZUHWAHUQBNOC-QLFBSQMISA-N 2 0 336.436 -1.362 20 0 EAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155041 793396432 /nfs/dbraw/zinc/39/64/32/793396432.db2.gz DAZUHWAHUQBNOC-ZNMIVQPWSA-N 2 0 336.436 -1.362 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155554 793397641 /nfs/dbraw/zinc/39/76/41/793397641.db2.gz JCKCXWNMOBKBAX-DEQVHRJGSA-N 2 0 340.424 -1.868 20 0 EAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001160171073 793399444 /nfs/dbraw/zinc/39/94/44/793399444.db2.gz GUSWPILTXFIEAG-BBRMVZONSA-N 2 0 339.440 -1.347 20 0 EAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001160171074 793399049 /nfs/dbraw/zinc/39/90/49/793399049.db2.gz GUSWPILTXFIEAG-XJKSGUPXSA-N 2 0 339.440 -1.347 20 0 EAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160171138 793398809 /nfs/dbraw/zinc/39/88/09/793398809.db2.gz IINBSFRVLFNNQB-SWLSCSKDSA-N 2 0 325.413 -1.608 20 0 EAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160171139 793399454 /nfs/dbraw/zinc/39/94/54/793399454.db2.gz IINBSFRVLFNNQB-WFASDCNBSA-N 2 0 325.413 -1.608 20 0 EAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001160171548 793398633 /nfs/dbraw/zinc/39/86/33/793398633.db2.gz OCEQTCIHITWSLJ-KBRIMQKVSA-N 2 0 349.435 -1.865 20 0 EAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001160171549 793399067 /nfs/dbraw/zinc/39/90/67/793399067.db2.gz OCEQTCIHITWSLJ-XOKHGSTOSA-N 2 0 349.435 -1.865 20 0 EAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001160172374 793398350 /nfs/dbraw/zinc/39/83/50/793398350.db2.gz DFHFWVHQQBXYHH-FZMZJTMJSA-N 2 0 343.453 -2.045 20 0 EAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001160172377 793399385 /nfs/dbraw/zinc/39/93/85/793399385.db2.gz DFHFWVHQQBXYHH-SMDDNHRTSA-N 2 0 343.453 -2.045 20 0 EAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160172613 793398906 /nfs/dbraw/zinc/39/89/06/793398906.db2.gz ZNNHTFXBIFTQJT-BLLLJJGKSA-N 2 0 335.408 -2.255 20 0 EAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160172614 793399154 /nfs/dbraw/zinc/39/91/54/793399154.db2.gz ZNNHTFXBIFTQJT-LRDDRELGSA-N 2 0 335.408 -2.255 20 0 EAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160172615 793399127 /nfs/dbraw/zinc/39/91/27/793399127.db2.gz ZNNHTFXBIFTQJT-MLGOLLRUSA-N 2 0 335.408 -2.255 20 0 EAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160172616 793398233 /nfs/dbraw/zinc/39/82/33/793398233.db2.gz ZNNHTFXBIFTQJT-WBMJQRKESA-N 2 0 335.408 -2.255 20 0 EAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160173350 793399788 /nfs/dbraw/zinc/39/97/88/793399788.db2.gz LERIUAMDKDRHAD-BBRMVZONSA-N 2 0 339.440 -1.218 20 0 EAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160173351 793400039 /nfs/dbraw/zinc/40/00/39/793400039.db2.gz LERIUAMDKDRHAD-XJKSGUPXSA-N 2 0 339.440 -1.218 20 0 EAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160173990 793400673 /nfs/dbraw/zinc/40/06/73/793400673.db2.gz OEJAJOCGJXCFML-GDBMZVCRSA-N 2 0 337.424 -1.737 20 0 EAADRP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160173992 793399619 /nfs/dbraw/zinc/39/96/19/793399619.db2.gz OEJAJOCGJXCFML-GOEBONIOSA-N 2 0 337.424 -1.737 20 0 EAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160173994 793399866 /nfs/dbraw/zinc/39/98/66/793399866.db2.gz OEJAJOCGJXCFML-HOCLYGCPSA-N 2 0 337.424 -1.737 20 0 EAADRP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160173995 793399841 /nfs/dbraw/zinc/39/98/41/793399841.db2.gz OEJAJOCGJXCFML-ZBFHGGJFSA-N 2 0 337.424 -1.737 20 0 EAADRP Cn1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[NH2+]CC45C[NH2+]C5)C[C@@H]3C2=O)cn1 ZINC001160218604 793399802 /nfs/dbraw/zinc/39/98/02/793399802.db2.gz QWNXQQHBTCHCIC-FPMFFAJLSA-N 2 0 344.419 -1.350 20 0 EAADRP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[NH2+]CC45C[NH2+]C5)C[C@@H]3C2=O)cn1 ZINC001160218608 793399927 /nfs/dbraw/zinc/39/99/27/793399927.db2.gz QWNXQQHBTCHCIC-UBHSHLNASA-N 2 0 344.419 -1.350 20 0 EAADRP N[C@@H](C[NH3+])C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160406256 793403240 /nfs/dbraw/zinc/40/32/40/793403240.db2.gz PTTQVAAUXDZSIQ-NSHDSACASA-N 2 0 330.396 -1.014 20 0 EAADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001160426900 793402760 /nfs/dbraw/zinc/40/27/60/793402760.db2.gz KBFQNFDZTYNGKU-HNNXBMFYSA-N 2 0 341.456 -1.373 20 0 EAADRP CS(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160431713 787442433 /nfs/dbraw/zinc/44/24/33/787442433.db2.gz BJMVYRXJMOZNLQ-GFCCVEGCSA-N 2 0 333.458 -2.159 20 0 EAADRP CS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160431714 787442048 /nfs/dbraw/zinc/44/20/48/787442048.db2.gz BJMVYRXJMOZNLQ-LBPRGKRZSA-N 2 0 333.458 -2.159 20 0 EAADRP CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160432012 793403728 /nfs/dbraw/zinc/40/37/28/793403728.db2.gz KWSVXNULGJZTAU-GFCCVEGCSA-N 2 0 330.454 -1.036 20 0 EAADRP CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160432013 793403364 /nfs/dbraw/zinc/40/33/64/793403364.db2.gz KWSVXNULGJZTAU-LBPRGKRZSA-N 2 0 330.454 -1.036 20 0 EAADRP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160439546 793404541 /nfs/dbraw/zinc/40/45/41/793404541.db2.gz MBSIHPJFEKZDST-BFQNTYOBSA-N 2 0 338.408 -1.534 20 0 EAADRP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160439547 793404741 /nfs/dbraw/zinc/40/47/41/793404741.db2.gz MBSIHPJFEKZDST-XHBSWPGZSA-N 2 0 338.408 -1.534 20 0 EAADRP COCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1CC[NH+](C)CC1 ZINC001160439765 793404831 /nfs/dbraw/zinc/40/48/31/793404831.db2.gz MINVXZMOMMTSKM-AAEUAGOBSA-N 2 0 330.429 -1.620 20 0 EAADRP COCCN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)C1CC[NH+](C)CC1 ZINC001160441110 793405057 /nfs/dbraw/zinc/40/50/57/793405057.db2.gz UYXWJELXHSBCGL-AWEZNQCLSA-N 2 0 326.441 -1.114 20 0 EAADRP COCCN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)C1CC[NH+](C)CC1 ZINC001160441111 793403962 /nfs/dbraw/zinc/40/39/62/793403962.db2.gz UYXWJELXHSBCGL-CQSZACIVSA-N 2 0 326.441 -1.114 20 0 EAADRP C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160451373 793405027 /nfs/dbraw/zinc/40/50/27/793405027.db2.gz NFDDFCNDQCTFKW-AGIUHOORSA-N 2 0 339.440 -1.219 20 0 EAADRP C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160451374 793404919 /nfs/dbraw/zinc/40/49/19/793404919.db2.gz NFDDFCNDQCTFKW-AVGNSLFASA-N 2 0 339.440 -1.219 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001160454737 793404086 /nfs/dbraw/zinc/40/40/86/793404086.db2.gz SHJYZBCTPBTQOK-JQWIXIFHSA-N 2 0 327.429 -1.506 20 0 EAADRP C[NH2+]CC1CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC1 ZINC001160458772 793404559 /nfs/dbraw/zinc/40/45/59/793404559.db2.gz DFLQJSRWUCPICE-CMPLNLGQSA-N 2 0 327.429 -1.458 20 0 EAADRP O=C(CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1)N1CCCC1 ZINC001160482893 793405995 /nfs/dbraw/zinc/40/59/95/793405995.db2.gz CDSUPPMACXMCHB-CRAIPNDOSA-N 2 0 349.479 -1.048 20 0 EAADRP O=C(CN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1)N1CCCC1 ZINC001160482910 793405874 /nfs/dbraw/zinc/40/58/74/793405874.db2.gz COUIOBCZHVPZSZ-AWEZNQCLSA-N 2 0 335.452 -1.438 20 0 EAADRP O=C(CN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1)N1CCCC1 ZINC001160482911 793406093 /nfs/dbraw/zinc/40/60/93/793406093.db2.gz COUIOBCZHVPZSZ-CQSZACIVSA-N 2 0 335.452 -1.438 20 0 EAADRP CC(C)NC(=O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160484785 793405534 /nfs/dbraw/zinc/40/55/34/793405534.db2.gz DDLWPWBHYBAUPT-RHSMWYFYSA-N 2 0 337.468 -1.146 20 0 EAADRP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160484871 793405604 /nfs/dbraw/zinc/40/56/04/793405604.db2.gz IAAVSGPBVGDECG-LBPRGKRZSA-N 2 0 331.486 -1.326 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160485649 793405503 /nfs/dbraw/zinc/40/55/03/793405503.db2.gz YTHWLRHJRCUJNO-ZDUSSCGKSA-N 2 0 343.497 -1.228 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490550 793405468 /nfs/dbraw/zinc/40/54/68/793405468.db2.gz BBYSMKJAXACITQ-UHFFFAOYSA-N 2 0 348.469 -1.470 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491106 793405745 /nfs/dbraw/zinc/40/57/45/793405745.db2.gz SWWHULCWZFMWDW-AAEUAGOBSA-N 2 0 328.413 -1.866 20 0 EAADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160491743 793405146 /nfs/dbraw/zinc/40/51/46/793405146.db2.gz BKIIIUDDHNEJQG-HOSYDEDBSA-N 2 0 345.421 -1.071 20 0 EAADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160491744 793405831 /nfs/dbraw/zinc/40/58/31/793405831.db2.gz BKIIIUDDHNEJQG-JBLDHEPKSA-N 2 0 345.421 -1.071 20 0 EAADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160491745 793405152 /nfs/dbraw/zinc/40/51/52/793405152.db2.gz BKIIIUDDHNEJQG-NHCYSSNCSA-N 2 0 345.421 -1.071 20 0 EAADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160491746 793406108 /nfs/dbraw/zinc/40/61/08/793406108.db2.gz BKIIIUDDHNEJQG-UMNHJUIQSA-N 2 0 345.421 -1.071 20 0 EAADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160495810 793406266 /nfs/dbraw/zinc/40/62/66/793406266.db2.gz ZBLORTOPHOFJFE-ATZCPNFKSA-N 2 0 343.405 -1.589 20 0 EAADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160495811 793405939 /nfs/dbraw/zinc/40/59/39/793405939.db2.gz ZBLORTOPHOFJFE-QXEWZRGKSA-N 2 0 343.405 -1.589 20 0 EAADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160495812 793406253 /nfs/dbraw/zinc/40/62/53/793406253.db2.gz ZBLORTOPHOFJFE-WCABBAIRSA-N 2 0 343.405 -1.589 20 0 EAADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160495814 793405584 /nfs/dbraw/zinc/40/55/84/793405584.db2.gz ZBLORTOPHOFJFE-YWVKMMECSA-N 2 0 343.405 -1.589 20 0 EAADRP CN(C)C(=O)CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160503747 793405554 /nfs/dbraw/zinc/40/55/54/793405554.db2.gz FAPTYRBXRSSNLA-STQMWFEESA-N 2 0 341.456 -1.020 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH3+])CC1 ZINC001160514176 793406928 /nfs/dbraw/zinc/40/69/28/793406928.db2.gz PLDIEDQUTZIWBL-UHFFFAOYSA-N 2 0 328.373 -3.757 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC([NH3+])CC1 ZINC001160515582 793406687 /nfs/dbraw/zinc/40/66/87/793406687.db2.gz NHONBBWSBLTXSX-JQWIXIFHSA-N 2 0 325.413 -1.610 20 0 EAADRP COC(=O)CN1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160534066 793407271 /nfs/dbraw/zinc/40/72/71/793407271.db2.gz GXLBJPDRXUTASW-CYBMUJFWSA-N 2 0 327.429 -1.946 20 0 EAADRP COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160534068 793407262 /nfs/dbraw/zinc/40/72/62/793407262.db2.gz GXLBJPDRXUTASW-ZDUSSCGKSA-N 2 0 327.429 -1.946 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160538268 793407404 /nfs/dbraw/zinc/40/74/04/793407404.db2.gz GMFOZNOOCQAPHJ-JTQLQIEISA-N 2 0 342.425 -1.352 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160538269 793407431 /nfs/dbraw/zinc/40/74/31/793407431.db2.gz GMFOZNOOCQAPHJ-SNVBAGLBSA-N 2 0 342.425 -1.352 20 0 EAADRP CC[NH+]1CCC(N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001160538337 793407074 /nfs/dbraw/zinc/40/70/74/793407074.db2.gz WECOPOWXSBKNCN-JQWIXIFHSA-N 2 0 327.429 -1.364 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160542501 793407442 /nfs/dbraw/zinc/40/74/42/793407442.db2.gz YXEALXTYOYOYNC-NGZCFLSTSA-N 2 0 349.395 -1.865 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160542502 793407548 /nfs/dbraw/zinc/40/75/48/793407548.db2.gz YXEALXTYOYOYNC-QXEWZRGKSA-N 2 0 349.395 -1.865 20 0 EAADRP NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160548688 793407399 /nfs/dbraw/zinc/40/73/99/793407399.db2.gz IKGJXOKIRZAGGJ-AGIUHOORSA-N 2 0 339.440 -1.233 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC001160572812 793406752 /nfs/dbraw/zinc/40/67/52/793406752.db2.gz AUJWHIMNOPNEAV-AWEZNQCLSA-N 2 0 333.440 -1.124 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC001160572827 793406704 /nfs/dbraw/zinc/40/67/04/793406704.db2.gz AUJWHIMNOPNEAV-CQSZACIVSA-N 2 0 333.440 -1.124 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001160581692 793407370 /nfs/dbraw/zinc/40/73/70/793407370.db2.gz IAVMUGYLJKJUIB-QWRGUYRKSA-N 2 0 327.429 -1.364 20 0 EAADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160585382 793408065 /nfs/dbraw/zinc/40/80/65/793408065.db2.gz JBPGSNGILKHNRP-CYBMUJFWSA-N 2 0 344.481 -1.626 20 0 EAADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160585383 793408686 /nfs/dbraw/zinc/40/86/86/793408686.db2.gz JBPGSNGILKHNRP-ZDUSSCGKSA-N 2 0 344.481 -1.626 20 0 EAADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160585655 793408456 /nfs/dbraw/zinc/40/84/56/793408456.db2.gz NFAFXSNFGBBGIR-AWEZNQCLSA-N 2 0 346.497 -1.108 20 0 EAADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160585656 793408090 /nfs/dbraw/zinc/40/80/90/793408090.db2.gz NFAFXSNFGBBGIR-CQSZACIVSA-N 2 0 346.497 -1.108 20 0 EAADRP CCOC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160596174 793408572 /nfs/dbraw/zinc/40/85/72/793408572.db2.gz LCRZSNQEXYRCHR-CHWSQXEVSA-N 2 0 328.413 -1.473 20 0 EAADRP CCOC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160596175 793408667 /nfs/dbraw/zinc/40/86/67/793408667.db2.gz LCRZSNQEXYRCHR-OLZOCXBDSA-N 2 0 328.413 -1.473 20 0 EAADRP CCOC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160596176 793408405 /nfs/dbraw/zinc/40/84/05/793408405.db2.gz LCRZSNQEXYRCHR-QWHCGFSZSA-N 2 0 328.413 -1.473 20 0 EAADRP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160596177 787455766 /nfs/dbraw/zinc/45/57/66/787455766.db2.gz LCRZSNQEXYRCHR-STQMWFEESA-N 2 0 328.413 -1.473 20 0 EAADRP COC(=O)C[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160596923 793408280 /nfs/dbraw/zinc/40/82/80/793408280.db2.gz XMMYPFILBDOSGC-CHWSQXEVSA-N 2 0 328.413 -1.473 20 0 EAADRP COC(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160596924 793408421 /nfs/dbraw/zinc/40/84/21/793408421.db2.gz XMMYPFILBDOSGC-OLZOCXBDSA-N 2 0 328.413 -1.473 20 0 EAADRP COC(=O)C[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160596925 793408615 /nfs/dbraw/zinc/40/86/15/793408615.db2.gz XMMYPFILBDOSGC-QWHCGFSZSA-N 2 0 328.413 -1.473 20 0 EAADRP COC(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160596926 793408528 /nfs/dbraw/zinc/40/85/28/793408528.db2.gz XMMYPFILBDOSGC-STQMWFEESA-N 2 0 328.413 -1.473 20 0 EAADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001160629896 793408113 /nfs/dbraw/zinc/40/81/13/793408113.db2.gz SMGMOQVBIXHMHK-LBPRGKRZSA-N 2 0 326.449 -1.199 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160630089 793408207 /nfs/dbraw/zinc/40/82/07/793408207.db2.gz VIJBSMJJUJYTBA-KBPBESRZSA-N 3 0 345.488 -1.457 20 0 EAADRP CN1CCN(C2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)CC1=O ZINC001160634817 793573064 /nfs/dbraw/zinc/57/30/64/793573064.db2.gz FMYXKNAQXOQAPG-AWEZNQCLSA-N 2 0 335.452 -1.155 20 0 EAADRP CN1CCN(C2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)CC1=O ZINC001160634818 793573518 /nfs/dbraw/zinc/57/35/18/793573518.db2.gz FMYXKNAQXOQAPG-CQSZACIVSA-N 2 0 335.452 -1.155 20 0 EAADRP CN1CCN(C2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)CC1=O ZINC001160635984 793573137 /nfs/dbraw/zinc/57/31/37/793573137.db2.gz NXAQRFDDDVUXOM-AWEZNQCLSA-N 2 0 338.456 -2.278 20 0 EAADRP CN1CCN(C2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)CC1=O ZINC001160635991 793573213 /nfs/dbraw/zinc/57/32/13/793573213.db2.gz NXAQRFDDDVUXOM-CQSZACIVSA-N 2 0 338.456 -2.278 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160638457 793573679 /nfs/dbraw/zinc/57/36/79/793573679.db2.gz SXROMVOIXTWVLF-LBPRGKRZSA-N 2 0 330.454 -1.145 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640464 793573851 /nfs/dbraw/zinc/57/38/51/793573851.db2.gz DABQBJTTZJFBMX-LLVKDONJSA-N 2 0 336.396 -1.477 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640465 793573577 /nfs/dbraw/zinc/57/35/77/793573577.db2.gz DABQBJTTZJFBMX-NSHDSACASA-N 2 0 336.396 -1.477 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643392 793573171 /nfs/dbraw/zinc/57/31/71/793573171.db2.gz GLRAVLVLIDLCFI-VIFPVBQESA-N 2 0 344.372 -4.520 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643425 793573786 /nfs/dbraw/zinc/57/37/86/793573786.db2.gz HSQREIXYHYYUOO-IHRRRGAJSA-N 3 0 341.456 -1.380 20 0 EAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)CCO1 ZINC001160643591 793572735 /nfs/dbraw/zinc/57/27/35/793572735.db2.gz JLFHCEPUQDWYJD-RYUDHWBXSA-N 2 0 336.396 -1.500 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643948 793573639 /nfs/dbraw/zinc/57/36/39/793573639.db2.gz QWPIWQYFTUDTEX-SRVKXCTJSA-N 2 0 341.412 -2.373 20 0 EAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CCO1 ZINC001160643953 793573908 /nfs/dbraw/zinc/57/39/08/793573908.db2.gz RAPHOHREZGWQAH-NWDGAFQWSA-N 2 0 331.438 -1.413 20 0 EAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CCO1 ZINC001160643954 793572750 /nfs/dbraw/zinc/57/27/50/793572750.db2.gz RAPHOHREZGWQAH-RYUDHWBXSA-N 2 0 331.438 -1.413 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160646130 793572784 /nfs/dbraw/zinc/57/27/84/793572784.db2.gz WBZVESZCPACEAU-RYUDHWBXSA-N 2 0 339.440 -1.397 20 0 EAADRP C[NH+](C)C1(C)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001160646373 793573867 /nfs/dbraw/zinc/57/38/67/793573867.db2.gz YLFIJNNMTYCYFG-UHFFFAOYSA-N 2 0 342.400 -3.544 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160648839 793573379 /nfs/dbraw/zinc/57/33/79/793573379.db2.gz FEYIDHMJICAIPI-DTWKUNHWSA-N 2 0 346.363 -3.809 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650556 793576427 /nfs/dbraw/zinc/57/64/27/793576427.db2.gz YJRZQFLSPPJEHM-YFKTTZPYSA-N 2 0 343.403 -1.662 20 0 EAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H]1O ZINC001160652761 793574686 /nfs/dbraw/zinc/57/46/86/793574686.db2.gz KVVJBHVLPNTFFX-IJLUTSLNSA-N 2 0 331.438 -1.679 20 0 EAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H]1O ZINC001160652762 793574772 /nfs/dbraw/zinc/57/47/72/793574772.db2.gz KVVJBHVLPNTFFX-QJPTWQEYSA-N 2 0 331.438 -1.679 20 0 EAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653102 793575696 /nfs/dbraw/zinc/57/56/96/793575696.db2.gz UGIIUWRLGTYPTB-NTZNESFSSA-N 2 0 336.396 -1.766 20 0 EAADRP [NH3+][C@@H]1CCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C[C@H]1O ZINC001160655165 793574653 /nfs/dbraw/zinc/57/46/53/793574653.db2.gz IMUZFSISOSHADU-BNOWGMLFSA-N 2 0 346.391 -1.076 20 0 EAADRP [NH3+][C@@H]1CCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C[C@H]1O ZINC001160655166 793576300 /nfs/dbraw/zinc/57/63/00/793576300.db2.gz IMUZFSISOSHADU-MRVWCRGKSA-N 2 0 346.391 -1.076 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655450 793575960 /nfs/dbraw/zinc/57/59/60/793575960.db2.gz MILFVWLVBJPPKH-WHOHXGKFSA-N 2 0 341.412 -2.639 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656360 793576181 /nfs/dbraw/zinc/57/61/81/793576181.db2.gz VQPVVUHVJXRCLE-ZOBORPQBSA-N 3 0 341.456 -1.646 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001160698752 793576273 /nfs/dbraw/zinc/57/62/73/793576273.db2.gz QPLVOFSVJSCSGZ-QJPTWQEYSA-N 2 0 327.429 -1.458 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)C[C@H]1CCC[NH2+]C1)C(N)=O ZINC001160698753 793576165 /nfs/dbraw/zinc/57/61/65/793576165.db2.gz QPLVOFSVJSCSGZ-SDDRHHMPSA-N 2 0 327.429 -1.458 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771584 793577410 /nfs/dbraw/zinc/57/74/10/793577410.db2.gz ARKLQHLRXXQJSP-CYBMUJFWSA-N 2 0 339.440 -1.756 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771585 793577913 /nfs/dbraw/zinc/57/79/13/793577913.db2.gz ARKLQHLRXXQJSP-ZDUSSCGKSA-N 2 0 339.440 -1.756 20 0 EAADRP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160772022 793577174 /nfs/dbraw/zinc/57/71/74/793577174.db2.gz LZBFMRJMVUUOOD-MNOVXSKESA-N 2 0 347.437 -1.369 20 0 EAADRP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160772023 787496052 /nfs/dbraw/zinc/49/60/52/787496052.db2.gz LZBFMRJMVUUOOD-QWRGUYRKSA-N 2 0 347.437 -1.369 20 0 EAADRP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160772771 793577723 /nfs/dbraw/zinc/57/77/23/793577723.db2.gz WXKFMZYKMLXWAY-NXEZZACHSA-N 2 0 333.410 -1.759 20 0 EAADRP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160772773 793576997 /nfs/dbraw/zinc/57/69/97/793576997.db2.gz WXKFMZYKMLXWAY-UWVGGRQHSA-N 2 0 333.410 -1.759 20 0 EAADRP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160772775 793577279 /nfs/dbraw/zinc/57/72/79/793577279.db2.gz WXKFMZYKMLXWAY-VHSXEESVSA-N 2 0 333.410 -1.759 20 0 EAADRP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160772777 793576981 /nfs/dbraw/zinc/57/69/81/793576981.db2.gz WXKFMZYKMLXWAY-ZJUUUORDSA-N 2 0 333.410 -1.759 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778928 793577670 /nfs/dbraw/zinc/57/76/70/793577670.db2.gz BVKCBKHWRQRVFX-OGIUKLMXSA-N 2 0 346.431 -1.190 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789783 793577342 /nfs/dbraw/zinc/57/73/42/793577342.db2.gz FUESFEZAQNVUGI-CHWSQXEVSA-N 2 0 325.413 -2.194 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789784 793577144 /nfs/dbraw/zinc/57/71/44/793577144.db2.gz FUESFEZAQNVUGI-OLZOCXBDSA-N 2 0 325.413 -2.194 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789785 793577775 /nfs/dbraw/zinc/57/77/75/793577775.db2.gz FUESFEZAQNVUGI-QWHCGFSZSA-N 2 0 325.413 -2.194 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789786 793577329 /nfs/dbraw/zinc/57/73/29/793577329.db2.gz FUESFEZAQNVUGI-STQMWFEESA-N 2 0 325.413 -2.194 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3(O)CC[NH2+]CC3)C[C@H]1C2 ZINC001160791851 793577184 /nfs/dbraw/zinc/57/71/84/793577184.db2.gz FTMVWXVVJAGSJM-IATRGZMQSA-N 2 0 337.420 -1.042 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])COC(C)=O)C[C@H]1C2 ZINC001160791881 793577892 /nfs/dbraw/zinc/57/78/92/793577892.db2.gz GXFMRQDISZPFSC-CRQFQMBKSA-N 2 0 339.392 -1.266 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]1C2 ZINC001160791888 793576871 /nfs/dbraw/zinc/57/68/71/793576871.db2.gz HBBOWJOBPXXMLN-JKMTWNBGSA-N 2 0 348.447 -1.207 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CN3CC[NH2+]CC3)C[C@H]1C2 ZINC001160791912 793577140 /nfs/dbraw/zinc/57/71/40/793577140.db2.gz HZPQEGADLOZGLS-OEUWWYETSA-N 2 0 336.436 -1.251 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)C[C@H]1C2 ZINC001160791954 793577152 /nfs/dbraw/zinc/57/71/52/793577152.db2.gz JHZHWCZSHUBYBM-MVNIAGJJSA-N 2 0 348.403 -1.182 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]1C2 ZINC001160791965 793577871 /nfs/dbraw/zinc/57/78/71/793577871.db2.gz JQICFCGPFLRBQK-FWIBFFJGSA-N 3 0 348.447 -1.348 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]1C2 ZINC001160791966 793577108 /nfs/dbraw/zinc/57/71/08/793577108.db2.gz JQICFCGPFLRBQK-MTVAPTMQSA-N 3 0 348.447 -1.348 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CC[C@H]3O)C[C@H]1C2 ZINC001160791996 793577308 /nfs/dbraw/zinc/57/73/08/793577308.db2.gz KQIQMYYYJNZLJG-AEMQQVFBSA-N 2 0 337.420 -1.186 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CC[C@@H]3O)C[C@H]1C2 ZINC001160791997 793578507 /nfs/dbraw/zinc/57/85/07/793578507.db2.gz KQIQMYYYJNZLJG-LZQHRPSPSA-N 2 0 337.420 -1.186 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CC[C@@H]3O)C[C@H]1C2 ZINC001160791998 793578843 /nfs/dbraw/zinc/57/88/43/793578843.db2.gz KQIQMYYYJNZLJG-WFTXNEMLSA-N 2 0 337.420 -1.186 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CC[C@H]3O)C[C@H]1C2 ZINC001160791999 793578287 /nfs/dbraw/zinc/57/82/87/793578287.db2.gz KQIQMYYYJNZLJG-ZPVXYNJMSA-N 2 0 337.420 -1.186 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C[C@H]1C2 ZINC001160792222 793578746 /nfs/dbraw/zinc/57/87/46/793578746.db2.gz UDJJOVGDWIYSIN-IRJIBSAUSA-N 2 0 348.447 -1.205 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C[C@H]1C2 ZINC001160792223 793579218 /nfs/dbraw/zinc/57/92/18/793579218.db2.gz UDJJOVGDWIYSIN-JJQAWATESA-N 2 0 348.447 -1.205 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]1C2 ZINC001160792224 793579560 /nfs/dbraw/zinc/57/95/60/793579560.db2.gz UDJJOVGDWIYSIN-OMYOZJEQSA-N 2 0 348.447 -1.205 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]1C2 ZINC001160792225 793579578 /nfs/dbraw/zinc/57/95/78/793579578.db2.gz UDJJOVGDWIYSIN-ZRGCGHPPSA-N 2 0 348.447 -1.205 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]C[C@H](O)C3)C[C@H]1C2 ZINC001160792459 793579496 /nfs/dbraw/zinc/57/94/96/793579496.db2.gz UQJFBBKVFAZNRT-OHGMRDKBSA-N 2 0 337.420 -1.186 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]C[C@@H](O)C3)C[C@H]1C2 ZINC001160792460 793579232 /nfs/dbraw/zinc/57/92/32/793579232.db2.gz UQJFBBKVFAZNRT-OZYNSXBJSA-N 2 0 337.420 -1.186 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]C[C@H](O)C3)C[C@H]1C2 ZINC001160792461 793578318 /nfs/dbraw/zinc/57/83/18/793578318.db2.gz UQJFBBKVFAZNRT-UFZBQXAWSA-N 2 0 337.420 -1.186 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]C[C@@H](O)C3)C[C@H]1C2 ZINC001160792462 793578928 /nfs/dbraw/zinc/57/89/28/793578928.db2.gz UQJFBBKVFAZNRT-UQSNBNBGSA-N 2 0 337.420 -1.186 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]34C[NH2+][C@@H](CO3)C4)C[C@H]1C2 ZINC001160792466 793578624 /nfs/dbraw/zinc/57/86/24/793578624.db2.gz UTJKZYUJZQFBGY-KAILXHQESA-N 2 0 335.404 -1.026 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)O)C[C@H]1C2 ZINC001160793049 793578378 /nfs/dbraw/zinc/57/83/78/793578378.db2.gz ZZUOYMINCCQBDN-PWMNWJTFSA-N 2 0 325.409 -1.058 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3(N)CC[NH2+]CC3)C[C@H]1C2 ZINC001160794084 793578351 /nfs/dbraw/zinc/57/83/51/793578351.db2.gz KQTGAVBAOULQPE-IATRGZMQSA-N 2 0 336.436 -1.076 20 0 EAADRP C[NH2+][C@H](C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1)[C@@H](C)O ZINC001160794435 793578727 /nfs/dbraw/zinc/57/87/27/793578727.db2.gz NZELGLDFMBNRCP-TXACCCEWSA-N 2 0 325.409 -1.188 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]3(N)CCC[NH2+]C3)C[C@H]1C2 ZINC001160795741 793579361 /nfs/dbraw/zinc/57/93/61/793579361.db2.gz YPEHIOMFHICWQL-BBAXIROVSA-N 2 0 336.436 -1.076 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]3(N)CCC[NH2+]C3)C[C@H]1C2 ZINC001160795742 793578583 /nfs/dbraw/zinc/57/85/83/793578583.db2.gz YPEHIOMFHICWQL-PJSWFKRJSA-N 2 0 336.436 -1.076 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CCN3C)C[C@H]1C2 ZINC001160796909 793578689 /nfs/dbraw/zinc/57/86/89/793578689.db2.gz AVTUBDMSAWWDCF-RBUCKAEESA-N 2 0 336.436 -1.253 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CCN3C)C[C@H]1C2 ZINC001160796910 793578606 /nfs/dbraw/zinc/57/86/06/793578606.db2.gz AVTUBDMSAWWDCF-RFJMFJJWSA-N 2 0 336.436 -1.253 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]1C2 ZINC001160797442 793578682 /nfs/dbraw/zinc/57/86/82/793578682.db2.gz OYLVYHQEZURETP-KAHPBISDSA-N 2 0 337.420 -1.090 20 0 EAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]1C2 ZINC001160797443 793578799 /nfs/dbraw/zinc/57/87/99/793578799.db2.gz OYLVYHQEZURETP-MPZWGZMNSA-N 2 0 337.420 -1.090 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)/C=C/C(=O)NCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160805604 793578671 /nfs/dbraw/zinc/57/86/71/793578671.db2.gz COLOHTVQOFDKQU-KWTXBODISA-N 2 0 338.408 -1.381 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)C[C@@H]([NH3+])CCC(N)=O)C[C@H]1C[NH2+]CC2 ZINC001160810585 793578834 /nfs/dbraw/zinc/57/88/34/793578834.db2.gz CSUGCSMWEUXDHH-BFQNTYOBSA-N 2 0 340.424 -1.030 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]CC[C@H]3O)C[C@H]1C[NH2+]CC2 ZINC001160810805 793579149 /nfs/dbraw/zinc/57/91/49/793579149.db2.gz GPOGNAYSVIGQJI-BRXULGCHSA-N 2 0 325.409 -1.042 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]CC[C@@H]3O)C[C@H]1C[NH2+]CC2 ZINC001160810806 793579421 /nfs/dbraw/zinc/57/94/21/793579421.db2.gz GPOGNAYSVIGQJI-LMOYCYGVSA-N 2 0 325.409 -1.042 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]CC[C@@H]3O)C[C@H]1C[NH2+]CC2 ZINC001160810807 793578694 /nfs/dbraw/zinc/57/86/94/793578694.db2.gz GPOGNAYSVIGQJI-NFFDBFGFSA-N 2 0 325.409 -1.042 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]CC[C@H]3O)C[C@H]1C[NH2+]CC2 ZINC001160810808 793578736 /nfs/dbraw/zinc/57/87/36/793578736.db2.gz GPOGNAYSVIGQJI-OQMKEHIESA-N 2 0 325.409 -1.042 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)COCCOCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160811140 793579500 /nfs/dbraw/zinc/57/95/00/793579500.db2.gz KHZASFYHMZCUCB-CZUORRHYSA-N 2 0 343.424 -1.021 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)C[C@H]1C[NH2+]CC2 ZINC001160811185 793578675 /nfs/dbraw/zinc/57/86/75/793578675.db2.gz MORBQFJLPOTHOB-AZKPJATDSA-N 2 0 336.392 -1.038 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]1C[NH2+]CC2 ZINC001160811298 793579548 /nfs/dbraw/zinc/57/95/48/793579548.db2.gz MXJRHKCPIGJPDR-RKWLLSJHSA-N 2 0 336.436 -1.063 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160811836 793578493 /nfs/dbraw/zinc/57/84/93/793578493.db2.gz VLLVNOJKNHBPOA-IIYDPXPESA-N 3 0 336.436 -1.203 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160811838 793578588 /nfs/dbraw/zinc/57/85/88/793578588.db2.gz VLLVNOJKNHBPOA-PBFPGSCMSA-N 3 0 336.436 -1.203 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C[C@H]1C[NH2+]CC2 ZINC001160811912 793579159 /nfs/dbraw/zinc/57/91/59/793579159.db2.gz XRFOEHNXPYTVNT-BQGCOEIASA-N 2 0 336.436 -1.061 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]1C[NH2+]CC2 ZINC001160811913 793578660 /nfs/dbraw/zinc/57/86/60/793578660.db2.gz XRFOEHNXPYTVNT-IXKJSCDLSA-N 2 0 336.436 -1.061 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]1C[NH2+]CC2 ZINC001160811914 793578697 /nfs/dbraw/zinc/57/86/97/793578697.db2.gz XRFOEHNXPYTVNT-KFZJALRRSA-N 2 0 336.436 -1.061 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C[C@H]1C[NH2+]CC2 ZINC001160811915 793579004 /nfs/dbraw/zinc/57/90/04/793579004.db2.gz XRFOEHNXPYTVNT-NSNWQYSKSA-N 2 0 336.436 -1.061 20 0 EAADRP CCOC(=O)[C@]12CN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160812861 793579343 /nfs/dbraw/zinc/57/93/43/793579343.db2.gz UBHAQMJREMHWQA-PVTKRXDGSA-N 2 0 340.424 -1.161 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160838343 793578542 /nfs/dbraw/zinc/57/85/42/793578542.db2.gz HPJKNBUHUJQYIR-AXFHLTTASA-N 2 0 329.401 -2.517 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160838345 793578816 /nfs/dbraw/zinc/57/88/16/793578816.db2.gz HPJKNBUHUJQYIR-DCAQKATOSA-N 2 0 329.401 -2.517 20 0 EAADRP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCN1C ZINC001160871062 793580133 /nfs/dbraw/zinc/58/01/33/793580133.db2.gz QDCVXBJSWFOEMY-CHWSQXEVSA-N 2 0 327.429 -1.948 20 0 EAADRP COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCN1C ZINC001160871063 793581201 /nfs/dbraw/zinc/58/12/01/793581201.db2.gz QDCVXBJSWFOEMY-OLZOCXBDSA-N 2 0 327.429 -1.948 20 0 EAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCN1C ZINC001160871064 793581506 /nfs/dbraw/zinc/58/15/06/793581506.db2.gz QDCVXBJSWFOEMY-QWHCGFSZSA-N 2 0 327.429 -1.948 20 0 EAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCN1C ZINC001160871065 793581247 /nfs/dbraw/zinc/58/12/47/793581247.db2.gz QDCVXBJSWFOEMY-STQMWFEESA-N 2 0 327.429 -1.948 20 0 EAADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001160883436 793581377 /nfs/dbraw/zinc/58/13/77/793581377.db2.gz MZZSZQICVAIHLI-GFCCVEGCSA-N 2 0 327.429 -1.619 20 0 EAADRP CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001160889701 793581328 /nfs/dbraw/zinc/58/13/28/793581328.db2.gz PTYHOWSBTXHFFV-CHWSQXEVSA-N 2 0 342.440 -1.068 20 0 EAADRP CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001160889702 793580870 /nfs/dbraw/zinc/58/08/70/793580870.db2.gz PTYHOWSBTXHFFV-QWHCGFSZSA-N 2 0 342.440 -1.068 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915527 793581984 /nfs/dbraw/zinc/58/19/84/793581984.db2.gz CAMHNEJUCYJTME-WPRPVWTQSA-N 2 0 335.368 -2.511 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915750 787501954 /nfs/dbraw/zinc/50/19/54/787501954.db2.gz LJHKPDORJBESKB-UHFFFAOYSA-N 2 0 328.398 -1.998 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001160951092 793582426 /nfs/dbraw/zinc/58/24/26/793582426.db2.gz DPWVDXRLUKXQFG-UHFFFAOYSA-N 2 0 343.428 -1.364 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160965075 793582420 /nfs/dbraw/zinc/58/24/20/793582420.db2.gz SLJLLTIHIJOBDT-BQVMBELUSA-N 2 0 325.413 -1.896 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C(N)=O ZINC001160974339 793582508 /nfs/dbraw/zinc/58/25/08/793582508.db2.gz ZRAUAEMJCWXCSF-DJLDLDEBSA-N 2 0 335.355 -1.721 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C(N)=O ZINC001160974350 793582667 /nfs/dbraw/zinc/58/26/67/793582667.db2.gz ZRAUAEMJCWXCSF-XHNCKOQMSA-N 2 0 335.355 -1.721 20 0 EAADRP [NH3+]C/C=C/CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001160977323 793582867 /nfs/dbraw/zinc/58/28/67/793582867.db2.gz UJSGXKVFKJZYEG-OWOJBTEDSA-N 2 0 335.412 -1.107 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999375 793583003 /nfs/dbraw/zinc/58/30/03/793583003.db2.gz CLMNASQXQPJLFS-LLVKDONJSA-N 2 0 334.442 -2.078 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999376 793582035 /nfs/dbraw/zinc/58/20/35/793582035.db2.gz CLMNASQXQPJLFS-NSHDSACASA-N 2 0 334.442 -2.078 20 0 EAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000119 793582492 /nfs/dbraw/zinc/58/24/92/793582492.db2.gz PYEAKTJIUWZQHT-NEPJUHHUSA-N 2 0 343.449 -1.522 20 0 EAADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000120 793582390 /nfs/dbraw/zinc/58/23/90/793582390.db2.gz PYEAKTJIUWZQHT-NWDGAFQWSA-N 2 0 343.449 -1.522 20 0 EAADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000121 793582593 /nfs/dbraw/zinc/58/25/93/793582593.db2.gz PYEAKTJIUWZQHT-RYUDHWBXSA-N 2 0 343.449 -1.522 20 0 EAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000122 793582252 /nfs/dbraw/zinc/58/22/52/793582252.db2.gz PYEAKTJIUWZQHT-VXGBXAGGSA-N 2 0 343.449 -1.522 20 0 EAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000284 793581899 /nfs/dbraw/zinc/58/18/99/793581899.db2.gz QZLPKOLDGIDDBQ-NWDGAFQWSA-N 2 0 330.454 -1.144 20 0 EAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000285 793582522 /nfs/dbraw/zinc/58/25/22/793582522.db2.gz QZLPKOLDGIDDBQ-RYUDHWBXSA-N 2 0 330.454 -1.144 20 0 EAADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000473 793582716 /nfs/dbraw/zinc/58/27/16/793582716.db2.gz TVRPHZDTCVWELC-CHWSQXEVSA-N 2 0 336.436 -1.182 20 0 EAADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000474 793582794 /nfs/dbraw/zinc/58/27/94/793582794.db2.gz TVRPHZDTCVWELC-OLZOCXBDSA-N 2 0 336.436 -1.182 20 0 EAADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000475 793582132 /nfs/dbraw/zinc/58/21/32/793582132.db2.gz TVRPHZDTCVWELC-QWHCGFSZSA-N 2 0 336.436 -1.182 20 0 EAADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000476 793582154 /nfs/dbraw/zinc/58/21/54/793582154.db2.gz TVRPHZDTCVWELC-STQMWFEESA-N 2 0 336.436 -1.182 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007218 793583154 /nfs/dbraw/zinc/58/31/54/793583154.db2.gz IYYVTDBERDDOTO-DCAQKATOSA-N 2 0 341.412 -2.591 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007219 793582457 /nfs/dbraw/zinc/58/24/57/793582457.db2.gz IYYVTDBERDDOTO-GARJFASQSA-N 2 0 341.412 -2.591 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009162 793584356 /nfs/dbraw/zinc/58/43/56/793584356.db2.gz SVAZGQXJDZUHQB-KBPBESRZSA-N 3 0 325.457 -1.548 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009163 793584045 /nfs/dbraw/zinc/58/40/45/793584045.db2.gz SVAZGQXJDZUHQB-KGLIPLIRSA-N 3 0 325.457 -1.548 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009164 793584136 /nfs/dbraw/zinc/58/41/36/793584136.db2.gz SVAZGQXJDZUHQB-UONOGXRCSA-N 3 0 325.457 -1.548 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009165 793585059 /nfs/dbraw/zinc/58/50/59/793585059.db2.gz SVAZGQXJDZUHQB-ZIAGYGMSSA-N 3 0 325.457 -1.548 20 0 EAADRP C[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[NH2+]1 ZINC001161016368 793584232 /nfs/dbraw/zinc/58/42/32/793584232.db2.gz YMAAJZYQVVHROL-SECBINFHSA-N 2 0 328.373 -3.886 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161019505 793583906 /nfs/dbraw/zinc/58/39/06/793583906.db2.gz AKSHZENSAVAROI-WOPDTQHZSA-N 2 0 325.413 -1.739 20 0 EAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001161040815 793583602 /nfs/dbraw/zinc/58/36/02/793583602.db2.gz DDKVHRUSNJQUTG-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001161040816 793583667 /nfs/dbraw/zinc/58/36/67/793583667.db2.gz DDKVHRUSNJQUTG-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001161048912 793584334 /nfs/dbraw/zinc/58/43/34/793584334.db2.gz AOCCFCZLQPQKFI-SRVKXCTJSA-N 2 0 327.429 -1.365 20 0 EAADRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001161048913 793584418 /nfs/dbraw/zinc/58/44/18/793584418.db2.gz AOCCFCZLQPQKFI-TUAOUCFPSA-N 2 0 327.429 -1.365 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+])C(N)=O ZINC001161061264 793584463 /nfs/dbraw/zinc/58/44/63/793584463.db2.gz FSMMCZGJQGUWMN-IRCOFANPSA-N 2 0 327.429 -1.188 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+])C(N)=O ZINC001161061266 793584367 /nfs/dbraw/zinc/58/43/67/793584367.db2.gz FSMMCZGJQGUWMN-NNYUYHANSA-N 2 0 327.429 -1.188 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)[C@H]1CCCC[C@H]1[NH3+])C(N)=O ZINC001161061269 793584197 /nfs/dbraw/zinc/58/41/97/793584197.db2.gz FSMMCZGJQGUWMN-QCNOEVLYSA-N 2 0 327.429 -1.188 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+])C(N)=O ZINC001161061271 793585011 /nfs/dbraw/zinc/58/50/11/793585011.db2.gz FSMMCZGJQGUWMN-YFKTTZPYSA-N 2 0 327.429 -1.188 20 0 EAADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068888 793585590 /nfs/dbraw/zinc/58/55/90/793585590.db2.gz XKNAYRZTFBKGLZ-GFCCVEGCSA-N 2 0 341.437 -1.101 20 0 EAADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068889 793586491 /nfs/dbraw/zinc/58/64/91/793586491.db2.gz XKNAYRZTFBKGLZ-LBPRGKRZSA-N 2 0 341.437 -1.101 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)C1(C)CC[NH2+]CC1)C(N)=O ZINC001161074137 793585772 /nfs/dbraw/zinc/58/57/72/793585772.db2.gz XDDBKSYOQZPXGW-WDEREUQCSA-N 2 0 327.429 -1.316 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081046 793585969 /nfs/dbraw/zinc/58/59/69/793585969.db2.gz CRCRIGOIMVHTCJ-AWEZNQCLSA-N 2 0 349.439 -1.419 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081047 793586566 /nfs/dbraw/zinc/58/65/66/793586566.db2.gz CRCRIGOIMVHTCJ-CQSZACIVSA-N 2 0 349.439 -1.419 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161081935 793586145 /nfs/dbraw/zinc/58/61/45/793586145.db2.gz MTJLPYIKHWWFHS-BJDJZHNGSA-N 2 0 325.413 -1.754 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161081937 793585655 /nfs/dbraw/zinc/58/56/55/793585655.db2.gz MTJLPYIKHWWFHS-FIQHERPVSA-N 2 0 325.413 -1.754 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161081939 793585433 /nfs/dbraw/zinc/58/54/33/793585433.db2.gz MTJLPYIKHWWFHS-USZNOCQGSA-N 2 0 325.413 -1.754 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161081940 793586316 /nfs/dbraw/zinc/58/63/16/793586316.db2.gz MTJLPYIKHWWFHS-WHOHXGKFSA-N 2 0 325.413 -1.754 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161084434 793586209 /nfs/dbraw/zinc/58/62/09/793586209.db2.gz XYFCRHDASFOKHE-NSHDSACASA-N 2 0 326.426 -1.150 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084797 793585904 /nfs/dbraw/zinc/58/59/04/793585904.db2.gz IZHIOJIHDZNFST-CYDGBPFRSA-N 2 0 338.408 -1.040 20 0 EAADRP [NH3+]CCN(CCNc1ccc(N2CC[NH2+]CC2)nn1)N(O)N=O ZINC001161087344 787571897 /nfs/dbraw/zinc/57/18/97/787571897.db2.gz LRHLJYAGCGIZCR-UHFFFAOYSA-N 2 0 325.377 -1.154 20 0 EAADRP [NH3+]CCN(CCNc1cncc(N2CC[NH2+]CC2)n1)N(O)N=O ZINC001161092631 793586645 /nfs/dbraw/zinc/58/66/45/793586645.db2.gz WUQBVWYCYHRTQN-UHFFFAOYSA-N 2 0 325.377 -1.154 20 0 EAADRP COc1cc(N2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)ncn1 ZINC001161093555 793587483 /nfs/dbraw/zinc/58/74/83/793587483.db2.gz RFTIOYDIOSYXNK-GFCCVEGCSA-N 2 0 332.408 -1.057 20 0 EAADRP COc1cc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)ncn1 ZINC001161093556 793587532 /nfs/dbraw/zinc/58/75/32/793587532.db2.gz RFTIOYDIOSYXNK-LBPRGKRZSA-N 2 0 332.408 -1.057 20 0 EAADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161093619 793587202 /nfs/dbraw/zinc/58/72/02/793587202.db2.gz TURUGIKXQPCKQH-CHWSQXEVSA-N 2 0 328.413 -1.473 20 0 EAADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161093620 793587129 /nfs/dbraw/zinc/58/71/29/793587129.db2.gz TURUGIKXQPCKQH-OLZOCXBDSA-N 2 0 328.413 -1.473 20 0 EAADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161093621 793587330 /nfs/dbraw/zinc/58/73/30/793587330.db2.gz TURUGIKXQPCKQH-QWHCGFSZSA-N 2 0 328.413 -1.473 20 0 EAADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161093622 793587114 /nfs/dbraw/zinc/58/71/14/793587114.db2.gz TURUGIKXQPCKQH-STQMWFEESA-N 2 0 328.413 -1.473 20 0 EAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138595 793589067 /nfs/dbraw/zinc/58/90/67/793589067.db2.gz WSCNJLIQFQANJF-BLLLJJGKSA-N 3 0 340.424 -1.458 20 0 EAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138596 793589533 /nfs/dbraw/zinc/58/95/33/793589533.db2.gz WSCNJLIQFQANJF-LRDDRELGSA-N 3 0 340.424 -1.458 20 0 EAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138597 793589664 /nfs/dbraw/zinc/58/96/64/793589664.db2.gz WSCNJLIQFQANJF-MLGOLLRUSA-N 3 0 340.424 -1.458 20 0 EAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138598 793589215 /nfs/dbraw/zinc/58/92/15/793589215.db2.gz WSCNJLIQFQANJF-WBMJQRKESA-N 3 0 340.424 -1.458 20 0 EAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001161149556 793589333 /nfs/dbraw/zinc/58/93/33/793589333.db2.gz ACSHMNRAGLXBDG-DHQNTFAWSA-N 2 0 333.392 -1.473 20 0 EAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001161149560 793588867 /nfs/dbraw/zinc/58/88/67/793588867.db2.gz ACSHMNRAGLXBDG-LMBMSJQFSA-N 2 0 333.392 -1.473 20 0 EAADRP O=C(N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161151306 793588962 /nfs/dbraw/zinc/58/89/62/793588962.db2.gz VVUJYWLCILOFPU-RYXPAKAESA-N 2 0 347.419 -1.083 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001161153260 793588710 /nfs/dbraw/zinc/58/87/10/793588710.db2.gz FNXOIZQQYKFPEZ-GFCCVEGCSA-N 2 0 340.424 -1.157 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001161153261 793588632 /nfs/dbraw/zinc/58/86/32/793588632.db2.gz FNXOIZQQYKFPEZ-LBPRGKRZSA-N 2 0 340.424 -1.157 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001161158247 793590027 /nfs/dbraw/zinc/59/00/27/793590027.db2.gz SBNQAAIEYAIWEK-LLVKDONJSA-N 2 0 347.437 -1.496 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001161158249 793590833 /nfs/dbraw/zinc/59/08/33/793590833.db2.gz SBNQAAIEYAIWEK-NSHDSACASA-N 2 0 347.437 -1.496 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161158296 793589986 /nfs/dbraw/zinc/58/99/86/793589986.db2.gz CHXMYQHQVSRPHJ-UWVGGRQHSA-N 2 0 345.400 -2.566 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CSCNC(C)=O ZINC001161158496 793590489 /nfs/dbraw/zinc/59/04/89/793590489.db2.gz VWLBVAVVTOWXBS-NSHDSACASA-N 2 0 334.442 -1.119 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161158575 793590354 /nfs/dbraw/zinc/59/03/54/793590354.db2.gz YBZWWXPAZWIDMP-UHFFFAOYSA-N 2 0 338.430 -2.053 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161158611 793590433 /nfs/dbraw/zinc/59/04/33/793590433.db2.gz KFTXYPMRERMXKL-CYBMUJFWSA-N 3 0 329.445 -1.523 20 0 EAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161158614 793590713 /nfs/dbraw/zinc/59/07/13/793590713.db2.gz KFTXYPMRERMXKL-ZDUSSCGKSA-N 3 0 329.445 -1.523 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172382 793589917 /nfs/dbraw/zinc/58/99/17/793589917.db2.gz SOQRJIVDKISGLG-CABCVRRESA-N 2 0 336.440 -1.273 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161172384 793590808 /nfs/dbraw/zinc/59/08/08/793590808.db2.gz SOQRJIVDKISGLG-GJZGRUSLSA-N 2 0 336.440 -1.273 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172386 793591956 /nfs/dbraw/zinc/59/19/56/793591956.db2.gz SOQRJIVDKISGLG-HUUCEWRRSA-N 2 0 336.440 -1.273 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161172388 793591438 /nfs/dbraw/zinc/59/14/38/793591438.db2.gz SOQRJIVDKISGLG-LSDHHAIUSA-N 2 0 336.440 -1.273 20 0 EAADRP CCC[NH+]1C[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@@H]2C1 ZINC001161174979 793592213 /nfs/dbraw/zinc/59/22/13/793592213.db2.gz HVOVNVJWBUFIIH-CYDGBPFRSA-N 2 0 339.440 -1.506 20 0 EAADRP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@H]2C1 ZINC001161174980 793591940 /nfs/dbraw/zinc/59/19/40/793591940.db2.gz HVOVNVJWBUFIIH-LOWDOPEQSA-N 2 0 339.440 -1.506 20 0 EAADRP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@H]2C1 ZINC001161174981 793591397 /nfs/dbraw/zinc/59/13/97/793591397.db2.gz HVOVNVJWBUFIIH-RVMXOQNASA-N 2 0 339.440 -1.506 20 0 EAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001161175144 793591535 /nfs/dbraw/zinc/59/15/35/793591535.db2.gz IDZCOAOLTOSWOR-CYBMUJFWSA-N 2 0 326.441 -1.378 20 0 EAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001161175146 793591762 /nfs/dbraw/zinc/59/17/62/793591762.db2.gz IDZCOAOLTOSWOR-ZDUSSCGKSA-N 2 0 326.441 -1.378 20 0 EAADRP N[C@@H](C[NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196505 793591971 /nfs/dbraw/zinc/59/19/71/793591971.db2.gz KHMQIAAUDMUYKF-HNNXBMFYSA-N 2 0 327.473 -1.177 20 0 EAADRP [NH3+]C[C@H](O)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197862 793592412 /nfs/dbraw/zinc/59/24/12/793592412.db2.gz HKLPUTVARARPGE-HNNXBMFYSA-N 2 0 328.457 -1.144 20 0 EAADRP CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219230 793043915 /nfs/dbraw/zinc/04/39/15/793043915.db2.gz OUYWUNRQWHBMQT-KZVDOYCCSA-N 2 0 332.408 -1.010 20 0 EAADRP CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220057 793592257 /nfs/dbraw/zinc/59/22/57/793592257.db2.gz WFGHJVBOELFPMC-QRJZZWFUSA-N 2 0 340.384 -4.030 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221774 793591837 /nfs/dbraw/zinc/59/18/37/793591837.db2.gz PNNFGVGFSRAQTC-BYNIDDHOSA-N 2 0 337.424 -1.883 20 0 EAADRP C[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H](C)[NH2+]1 ZINC001161229783 793592191 /nfs/dbraw/zinc/59/21/91/793592191.db2.gz VTXQYYPTFIKPNT-UWVGGRQHSA-N 2 0 342.400 -3.498 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161231639 793592014 /nfs/dbraw/zinc/59/20/14/793592014.db2.gz MVNYBLHKCFYKDD-CYDGBPFRSA-N 2 0 339.440 -1.350 20 0 EAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161238661 793593054 /nfs/dbraw/zinc/59/30/54/793593054.db2.gz VCEPKCVNNWBBEC-CHWSQXEVSA-N 2 0 327.429 -1.948 20 0 EAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161238663 793593514 /nfs/dbraw/zinc/59/35/14/793593514.db2.gz VCEPKCVNNWBBEC-OLZOCXBDSA-N 2 0 327.429 -1.948 20 0 EAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161238665 793593647 /nfs/dbraw/zinc/59/36/47/793593647.db2.gz VCEPKCVNNWBBEC-QWHCGFSZSA-N 2 0 327.429 -1.948 20 0 EAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161238667 793592821 /nfs/dbraw/zinc/59/28/21/793592821.db2.gz VCEPKCVNNWBBEC-STQMWFEESA-N 2 0 327.429 -1.948 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161247107 793593486 /nfs/dbraw/zinc/59/34/86/793593486.db2.gz XAKYLFVWNLKYPP-PGUXBMHVSA-N 2 0 343.403 -1.660 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161247108 793593631 /nfs/dbraw/zinc/59/36/31/793593631.db2.gz XAKYLFVWNLKYPP-ZIBATOQPSA-N 2 0 343.403 -1.660 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161247180 793593799 /nfs/dbraw/zinc/59/37/99/793593799.db2.gz YMPKHPGJTVCVIP-CYBMUJFWSA-N 2 0 346.363 -3.807 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161247181 793592977 /nfs/dbraw/zinc/59/29/77/793592977.db2.gz YMPKHPGJTVCVIP-ZDUSSCGKSA-N 2 0 346.363 -3.807 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247272 793593664 /nfs/dbraw/zinc/59/36/64/793593664.db2.gz BGZNPPDOQFBUEU-CYBMUJFWSA-N 2 0 334.428 -1.729 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247273 793593037 /nfs/dbraw/zinc/59/30/37/793593037.db2.gz BGZNPPDOQFBUEU-ZDUSSCGKSA-N 2 0 334.428 -1.729 20 0 EAADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001161251359 793593651 /nfs/dbraw/zinc/59/36/51/793593651.db2.gz QIOGYEDQNVKMPZ-UHFFFAOYSA-N 2 0 341.456 -1.229 20 0 EAADRP CCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161260261 785428300 /nfs/dbraw/zinc/42/83/00/785428300.db2.gz MJWLXCCJZSEALW-GFCCVEGCSA-N 2 0 330.454 -1.274 20 0 EAADRP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161260262 785428133 /nfs/dbraw/zinc/42/81/33/785428133.db2.gz MJWLXCCJZSEALW-LBPRGKRZSA-N 2 0 330.454 -1.274 20 0 EAADRP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001161263749 793595072 /nfs/dbraw/zinc/59/50/72/793595072.db2.gz DBVUYNVSBRDCMJ-NSHDSACASA-N 2 0 338.499 -1.064 20 0 EAADRP CNC(=O)NC1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161268398 793594729 /nfs/dbraw/zinc/59/47/29/793594729.db2.gz HMZHODSHCFZZLH-CYBMUJFWSA-N 2 0 326.445 -1.343 20 0 EAADRP CNC(=O)NC1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161268399 793594701 /nfs/dbraw/zinc/59/47/01/793594701.db2.gz HMZHODSHCFZZLH-ZDUSSCGKSA-N 2 0 326.445 -1.343 20 0 EAADRP [NH3+]CCC[NH2+]CC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269989 793594673 /nfs/dbraw/zinc/59/46/73/793594673.db2.gz PCPKXBDVNDUABA-UHFFFAOYSA-N 2 0 327.429 -1.042 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161275737 793594924 /nfs/dbraw/zinc/59/49/24/793594924.db2.gz DINXQKIYRNLERM-QEJZJMRPSA-N 2 0 349.435 -1.014 20 0 EAADRP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161294941 793594480 /nfs/dbraw/zinc/59/44/80/793594480.db2.gz BPZQLVGUSOEIDZ-KGLIPLIRSA-N 2 0 340.472 -1.001 20 0 EAADRP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161294942 793594687 /nfs/dbraw/zinc/59/46/87/793594687.db2.gz BPZQLVGUSOEIDZ-ZIAGYGMSSA-N 2 0 340.472 -1.001 20 0 EAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C(C)=O)[C@@H](C(=O)OC)C1 ZINC001161295097 793595501 /nfs/dbraw/zinc/59/55/01/793595501.db2.gz FVDKHGILCUZLND-QWHCGFSZSA-N 2 0 328.413 -1.064 20 0 EAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C(C)=O)[C@H](C(=O)OC)C1 ZINC001161295098 793594534 /nfs/dbraw/zinc/59/45/34/793594534.db2.gz FVDKHGILCUZLND-STQMWFEESA-N 2 0 328.413 -1.064 20 0 EAADRP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161296173 793594972 /nfs/dbraw/zinc/59/49/72/793594972.db2.gz QPWOLRJZICXHMC-CHWSQXEVSA-N 2 0 326.397 -1.454 20 0 EAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161296286 793595204 /nfs/dbraw/zinc/59/52/04/793595204.db2.gz QPWOLRJZICXHMC-OLZOCXBDSA-N 2 0 326.397 -1.454 20 0 EAADRP COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161296287 793594858 /nfs/dbraw/zinc/59/48/58/793594858.db2.gz QPWOLRJZICXHMC-QWHCGFSZSA-N 2 0 326.397 -1.454 20 0 EAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161296288 793594506 /nfs/dbraw/zinc/59/45/06/793594506.db2.gz QPWOLRJZICXHMC-STQMWFEESA-N 2 0 326.397 -1.454 20 0 EAADRP COC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCN1C(C)=O ZINC001161296300 793595605 /nfs/dbraw/zinc/59/56/05/793595605.db2.gz QYIMEUXYHZLTCG-DVOMOZLQSA-N 2 0 338.408 -1.582 20 0 EAADRP COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCN1C(C)=O ZINC001161296301 793595510 /nfs/dbraw/zinc/59/55/10/793595510.db2.gz QYIMEUXYHZLTCG-XJKCOSOUSA-N 2 0 338.408 -1.582 20 0 EAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCN1C(C)=O ZINC001161297255 793594621 /nfs/dbraw/zinc/59/46/21/793594621.db2.gz WNHVBZBNFKYFJL-QWRGUYRKSA-N 2 0 332.426 -1.762 20 0 EAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCN1C(C)=O ZINC001161297258 793595088 /nfs/dbraw/zinc/59/50/88/793595088.db2.gz WNHVBZBNFKYFJL-WDEREUQCSA-N 2 0 332.426 -1.762 20 0 EAADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001161308807 793596951 /nfs/dbraw/zinc/59/69/51/793596951.db2.gz IEUJQIHCYHAXNA-STQMWFEESA-N 2 0 335.408 -1.137 20 0 EAADRP CC(C)N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@H]1CC[NH2+]C1 ZINC001161353494 793596889 /nfs/dbraw/zinc/59/68/89/793596889.db2.gz RAEZKYBVPCJGGC-SDDRHHMPSA-N 2 0 327.429 -1.317 20 0 EAADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161372905 793597348 /nfs/dbraw/zinc/59/73/48/793597348.db2.gz MPBBAIBUVAANHH-DOMZBBRYSA-N 2 0 328.413 -1.473 20 0 EAADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161372907 793597384 /nfs/dbraw/zinc/59/73/84/793597384.db2.gz MPBBAIBUVAANHH-IUODEOHRSA-N 2 0 328.413 -1.473 20 0 EAADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161372909 793597140 /nfs/dbraw/zinc/59/71/40/793597140.db2.gz MPBBAIBUVAANHH-SWLSCSKDSA-N 2 0 328.413 -1.473 20 0 EAADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161372911 793597165 /nfs/dbraw/zinc/59/71/65/793597165.db2.gz MPBBAIBUVAANHH-WFASDCNBSA-N 2 0 328.413 -1.473 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161379786 793596426 /nfs/dbraw/zinc/59/64/26/793596426.db2.gz QHNIVMNOHQNUBW-CYBMUJFWSA-N 2 0 347.485 -1.769 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161379787 793596282 /nfs/dbraw/zinc/59/62/82/793596282.db2.gz QHNIVMNOHQNUBW-ZDUSSCGKSA-N 2 0 347.485 -1.769 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380330 793597467 /nfs/dbraw/zinc/59/74/67/793597467.db2.gz UMMWKHQJHCEKBD-CHWSQXEVSA-N 2 0 326.445 -1.214 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380331 793596925 /nfs/dbraw/zinc/59/69/25/793596925.db2.gz UMMWKHQJHCEKBD-QWHCGFSZSA-N 2 0 326.445 -1.214 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381152 793597458 /nfs/dbraw/zinc/59/74/58/793597458.db2.gz NWIGVEBEFNDFGR-CVEARBPZSA-N 3 0 338.500 -1.239 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381153 793596378 /nfs/dbraw/zinc/59/63/78/793596378.db2.gz NWIGVEBEFNDFGR-HOTGVXAUSA-N 3 0 338.500 -1.239 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381154 793595815 /nfs/dbraw/zinc/59/58/15/793595815.db2.gz NWIGVEBEFNDFGR-HZPDHXFCSA-N 3 0 338.500 -1.239 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381155 793597031 /nfs/dbraw/zinc/59/70/31/793597031.db2.gz NWIGVEBEFNDFGR-JKSUJKDBSA-N 3 0 338.500 -1.239 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381936 793596571 /nfs/dbraw/zinc/59/65/71/793596571.db2.gz RVXIMMPKTMOJGZ-DRZSPHRISA-N 2 0 327.429 -2.165 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381937 793596345 /nfs/dbraw/zinc/59/63/45/793596345.db2.gz RVXIMMPKTMOJGZ-UHTWSYAYSA-N 2 0 327.429 -2.165 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161388898 793597236 /nfs/dbraw/zinc/59/72/36/793597236.db2.gz LKZCQVUWJMEEQL-AVGNSLFASA-N 2 0 328.413 -1.866 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161388900 793596395 /nfs/dbraw/zinc/59/63/95/793596395.db2.gz LKZCQVUWJMEEQL-XQQFMLRXSA-N 2 0 328.413 -1.866 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389276 785193058 /nfs/dbraw/zinc/19/30/58/785193058.db2.gz PVWCVOAETQZWEC-CYBMUJFWSA-N 2 0 348.469 -1.470 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389283 785192461 /nfs/dbraw/zinc/19/24/61/785192461.db2.gz PVWCVOAETQZWEC-ZDUSSCGKSA-N 2 0 348.469 -1.470 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(N)=O ZINC001161414640 793598865 /nfs/dbraw/zinc/59/88/65/793598865.db2.gz XZTBNKJPEPCQRE-HHHUOAJASA-N 2 0 325.413 -1.720 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(N)=O ZINC001161414641 793598252 /nfs/dbraw/zinc/59/82/52/793598252.db2.gz XZTBNKJPEPCQRE-KKJSVHSVSA-N 2 0 325.413 -1.720 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(N)=O ZINC001161414642 793598602 /nfs/dbraw/zinc/59/86/02/793598602.db2.gz XZTBNKJPEPCQRE-PREPNJAASA-N 2 0 325.413 -1.720 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(N)=O ZINC001161414643 793598147 /nfs/dbraw/zinc/59/81/47/793598147.db2.gz XZTBNKJPEPCQRE-UHFZAUJKSA-N 2 0 325.413 -1.720 20 0 EAADRP CS(=O)(=O)c1nc2c(c(-n3cc(C[NH3+])cnc3=N)n1)CC[NH2+]CC2 ZINC001161415343 793598236 /nfs/dbraw/zinc/59/82/36/793598236.db2.gz RCVXBPLUKMPVFU-UHFFFAOYSA-N 2 0 349.420 -1.308 20 0 EAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[NH2+]C1 ZINC001161418550 793598892 /nfs/dbraw/zinc/59/88/92/793598892.db2.gz FXPCRCSQTFYBPT-STQMWFEESA-N 2 0 339.440 -1.225 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423454 793599924 /nfs/dbraw/zinc/59/99/24/793599924.db2.gz AQDUNDVNUFOZOY-AVGNSLFASA-N 2 0 337.424 -1.643 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423455 793599556 /nfs/dbraw/zinc/59/95/56/793599556.db2.gz AQDUNDVNUFOZOY-XQQFMLRXSA-N 2 0 337.424 -1.643 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423609 793600129 /nfs/dbraw/zinc/60/01/29/793600129.db2.gz GWJYUAAXQBZKAV-JTQLQIEISA-N 2 0 340.384 -3.790 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423610 793600098 /nfs/dbraw/zinc/60/00/98/793600098.db2.gz GWJYUAAXQBZKAV-SNVBAGLBSA-N 2 0 340.384 -3.790 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161443327 793599646 /nfs/dbraw/zinc/59/96/46/793599646.db2.gz QEILUYZBJGKPNG-CHWSQXEVSA-N 3 0 328.461 -1.096 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC001161443328 793599247 /nfs/dbraw/zinc/59/92/47/793599247.db2.gz QEILUYZBJGKPNG-OLZOCXBDSA-N 3 0 328.461 -1.096 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161443329 793599433 /nfs/dbraw/zinc/59/94/33/793599433.db2.gz QEILUYZBJGKPNG-QWHCGFSZSA-N 3 0 328.461 -1.096 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)[C@H]1CCC[NH2+]C1 ZINC001161443330 793599804 /nfs/dbraw/zinc/59/98/04/793599804.db2.gz QEILUYZBJGKPNG-STQMWFEESA-N 3 0 328.461 -1.096 20 0 EAADRP C[NH+](C)CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC001161447161 793599587 /nfs/dbraw/zinc/59/95/87/793599587.db2.gz VVHWOBLQZKBTJY-CYBMUJFWSA-N 3 0 349.501 -1.651 20 0 EAADRP C[NH+](C)CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC001161447165 793599884 /nfs/dbraw/zinc/59/98/84/793599884.db2.gz VVHWOBLQZKBTJY-ZDUSSCGKSA-N 3 0 349.501 -1.651 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@H]1CCC[NH2+]C1 ZINC001161447753 793599389 /nfs/dbraw/zinc/59/93/89/793599389.db2.gz ZBRNBLSXOITFDJ-KBPBESRZSA-N 3 0 325.457 -1.541 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161447754 793599975 /nfs/dbraw/zinc/59/99/75/793599975.db2.gz ZBRNBLSXOITFDJ-KGLIPLIRSA-N 3 0 325.457 -1.541 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)[C@H]1CCC[NH2+]C1 ZINC001161447755 793599994 /nfs/dbraw/zinc/59/99/94/793599994.db2.gz ZBRNBLSXOITFDJ-UONOGXRCSA-N 3 0 325.457 -1.541 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161447756 793599190 /nfs/dbraw/zinc/59/91/90/793599190.db2.gz ZBRNBLSXOITFDJ-ZIAGYGMSSA-N 3 0 325.457 -1.541 20 0 EAADRP C[NH+](C)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161448761 793599540 /nfs/dbraw/zinc/59/95/40/793599540.db2.gz HGPRTZQPFOWRHM-KBPBESRZSA-N 3 0 325.457 -1.003 20 0 EAADRP C[NH+](C)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161448762 793599272 /nfs/dbraw/zinc/59/92/72/793599272.db2.gz HGPRTZQPFOWRHM-KGLIPLIRSA-N 3 0 325.457 -1.003 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161449081 793599952 /nfs/dbraw/zinc/59/99/52/793599952.db2.gz JNESGJCNISOLJA-CVEARBPZSA-N 4 0 340.516 -1.121 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161449085 793599653 /nfs/dbraw/zinc/59/96/53/793599653.db2.gz JNESGJCNISOLJA-HOTGVXAUSA-N 4 0 340.516 -1.121 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161449089 793599817 /nfs/dbraw/zinc/59/98/17/793599817.db2.gz JNESGJCNISOLJA-HZPDHXFCSA-N 4 0 340.516 -1.121 20 0 EAADRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161449093 793600024 /nfs/dbraw/zinc/60/00/24/793600024.db2.gz JNESGJCNISOLJA-JKSUJKDBSA-N 4 0 340.516 -1.121 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449364 793599459 /nfs/dbraw/zinc/59/94/59/793599459.db2.gz MLMFSHJGTZDGKW-AVGNSLFASA-N 3 0 329.445 -2.047 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449365 793599892 /nfs/dbraw/zinc/59/98/92/793599892.db2.gz MLMFSHJGTZDGKW-XQQFMLRXSA-N 3 0 329.445 -2.047 20 0 EAADRP CCOC(=O)C1(C(=O)N2CC[C@@]3(C(=O)OC)CC[NH2+][C@@H]3C2)C[NH2+]C1 ZINC001161476272 793600785 /nfs/dbraw/zinc/60/07/85/793600785.db2.gz CFRXFVGJUIUFNP-ABAIWWIYSA-N 2 0 339.392 -1.107 20 0 EAADRP CCOC(=O)C1(C(=O)N2CC[C@]3(C(=O)OC)CC[NH2+][C@@H]3C2)C[NH2+]C1 ZINC001161476274 793600745 /nfs/dbraw/zinc/60/07/45/793600745.db2.gz CFRXFVGJUIUFNP-IAQYHMDHSA-N 2 0 339.392 -1.107 20 0 EAADRP CCOC(=O)C1(C(=O)N2CC[C@@]3(C(=O)OC)CC[NH2+][C@H]3C2)C[NH2+]C1 ZINC001161476275 793601363 /nfs/dbraw/zinc/60/13/63/793601363.db2.gz CFRXFVGJUIUFNP-NHYWBVRUSA-N 2 0 339.392 -1.107 20 0 EAADRP CCOC(=O)C1(C(=O)N2CC[C@]3(C(=O)OC)CC[NH2+][C@H]3C2)C[NH2+]C1 ZINC001161476276 793600861 /nfs/dbraw/zinc/60/08/61/793600861.db2.gz CFRXFVGJUIUFNP-XHDPSFHLSA-N 2 0 339.392 -1.107 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001161476928 793600600 /nfs/dbraw/zinc/60/06/00/793600600.db2.gz CRCWKWCJUKOZFB-COPLHBTASA-N 3 0 330.454 -1.241 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001161476929 793601327 /nfs/dbraw/zinc/60/13/27/793601327.db2.gz CRCWKWCJUKOZFB-MISXGVKJSA-N 3 0 330.454 -1.241 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001161476930 793601596 /nfs/dbraw/zinc/60/15/96/793601596.db2.gz CRCWKWCJUKOZFB-MJVIPROJSA-N 3 0 330.454 -1.241 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001161476931 793602942 /nfs/dbraw/zinc/60/29/42/793602942.db2.gz CRCWKWCJUKOZFB-WDMOLILDSA-N 3 0 330.454 -1.241 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001161476940 793602157 /nfs/dbraw/zinc/60/21/57/793602157.db2.gz CTUUHBCORKKYDQ-HWWQOWPSSA-N 2 0 338.408 -1.392 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001161476941 793603167 /nfs/dbraw/zinc/60/31/67/793603167.db2.gz CTUUHBCORKKYDQ-MKBNYLNASA-N 2 0 338.408 -1.392 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001161476942 793602823 /nfs/dbraw/zinc/60/28/23/793602823.db2.gz CTUUHBCORKKYDQ-MQIPJXDCSA-N 2 0 338.408 -1.392 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001161476943 793602243 /nfs/dbraw/zinc/60/22/43/793602243.db2.gz CTUUHBCORKKYDQ-OZVIIMIRSA-N 2 0 338.408 -1.392 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001161476964 793601984 /nfs/dbraw/zinc/60/19/84/793601984.db2.gz DEFZAAHWVFLEAT-FLDIIAITSA-N 2 0 331.438 -1.164 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001161476965 793602362 /nfs/dbraw/zinc/60/23/62/793602362.db2.gz DEFZAAHWVFLEAT-HEGBDWPZSA-N 2 0 331.438 -1.164 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001161476966 793602898 /nfs/dbraw/zinc/60/28/98/793602898.db2.gz DEFZAAHWVFLEAT-SITBDNABSA-N 2 0 331.438 -1.164 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001161476967 793602395 /nfs/dbraw/zinc/60/23/95/793602395.db2.gz DEFZAAHWVFLEAT-WZPNKDGKSA-N 2 0 331.438 -1.164 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001161477747 793602125 /nfs/dbraw/zinc/60/21/25/793602125.db2.gz GECNOVOOSPMREY-KIGUWFBYSA-N 2 0 342.396 -2.436 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001161477748 793602339 /nfs/dbraw/zinc/60/23/39/793602339.db2.gz GECNOVOOSPMREY-USXUVBGUSA-N 2 0 342.396 -2.436 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001161477749 793602667 /nfs/dbraw/zinc/60/26/67/793602667.db2.gz GECNOVOOSPMREY-VEABSNGSSA-N 2 0 342.396 -2.436 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001161477750 793602408 /nfs/dbraw/zinc/60/24/08/793602408.db2.gz GECNOVOOSPMREY-ZVXAKGHKSA-N 2 0 342.396 -2.436 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001161479573 793602656 /nfs/dbraw/zinc/60/26/56/793602656.db2.gz PQIUDDLJWYWNIJ-BQGCOEIASA-N 3 0 336.436 -1.061 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001161479576 793603028 /nfs/dbraw/zinc/60/30/28/793603028.db2.gz PQIUDDLJWYWNIJ-DLTLXFJOSA-N 3 0 336.436 -1.061 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001161479578 793602773 /nfs/dbraw/zinc/60/27/73/793602773.db2.gz PQIUDDLJWYWNIJ-OSRSDYAFSA-N 3 0 336.436 -1.061 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001161479581 793602831 /nfs/dbraw/zinc/60/28/31/793602831.db2.gz PQIUDDLJWYWNIJ-UTJXIGIESA-N 3 0 336.436 -1.061 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC2 ZINC001161479896 793602352 /nfs/dbraw/zinc/60/23/52/793602352.db2.gz QRHFJQLYXOCJCT-FIXISWKDSA-N 2 0 326.397 -1.277 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC2 ZINC001161479897 793602635 /nfs/dbraw/zinc/60/26/35/793602635.db2.gz QRHFJQLYXOCJCT-PGUXBMHVSA-N 2 0 326.397 -1.277 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC2 ZINC001161479898 793602251 /nfs/dbraw/zinc/60/22/51/793602251.db2.gz QRHFJQLYXOCJCT-RWSFTLGLSA-N 2 0 326.397 -1.277 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC2 ZINC001161479899 793603143 /nfs/dbraw/zinc/60/31/43/793603143.db2.gz QRHFJQLYXOCJCT-ZIBATOQPSA-N 2 0 326.397 -1.277 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001161479946 793602306 /nfs/dbraw/zinc/60/23/06/793602306.db2.gz RBDXLDQMCMGMGN-HSMVNMDESA-N 2 0 338.408 -1.930 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001161479947 793602684 /nfs/dbraw/zinc/60/26/84/793602684.db2.gz RBDXLDQMCMGMGN-MKBNYLNASA-N 2 0 338.408 -1.930 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001161479948 793603003 /nfs/dbraw/zinc/60/30/03/793603003.db2.gz RBDXLDQMCMGMGN-OZVIIMIRSA-N 2 0 338.408 -1.930 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001161479949 793602575 /nfs/dbraw/zinc/60/25/75/793602575.db2.gz RBDXLDQMCMGMGN-WQGACYEGSA-N 2 0 338.408 -1.930 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])CC2 ZINC001161480010 793602072 /nfs/dbraw/zinc/60/20/72/793602072.db2.gz MPEZSJZSFWENAC-KIGUWFBYSA-N 2 0 326.397 -1.408 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])CC2 ZINC001161480011 793602009 /nfs/dbraw/zinc/60/20/09/793602009.db2.gz MPEZSJZSFWENAC-USXUVBGUSA-N 2 0 326.397 -1.408 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])CC2 ZINC001161480012 793602883 /nfs/dbraw/zinc/60/28/83/793602883.db2.gz MPEZSJZSFWENAC-VEABSNGSSA-N 2 0 326.397 -1.408 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])CC2 ZINC001161480013 793602549 /nfs/dbraw/zinc/60/25/49/793602549.db2.gz MPEZSJZSFWENAC-ZVXAKGHKSA-N 2 0 326.397 -1.408 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)COCCOCC[NH3+])CC2 ZINC001161480136 793602736 /nfs/dbraw/zinc/60/27/36/793602736.db2.gz SFGCRNRHDFLFCD-DOMZBBRYSA-N 2 0 329.397 -1.268 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)COCCOCC[NH3+])CC2 ZINC001161480137 793602210 /nfs/dbraw/zinc/60/22/10/793602210.db2.gz SFGCRNRHDFLFCD-IUODEOHRSA-N 2 0 329.397 -1.268 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)COCCOCC[NH3+])CC2 ZINC001161480138 793603088 /nfs/dbraw/zinc/60/30/88/793603088.db2.gz SFGCRNRHDFLFCD-SWLSCSKDSA-N 2 0 329.397 -1.268 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)COCCOCC[NH3+])CC2 ZINC001161480139 793602082 /nfs/dbraw/zinc/60/20/82/793602082.db2.gz SFGCRNRHDFLFCD-WFASDCNBSA-N 2 0 329.397 -1.268 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001161480562 793603105 /nfs/dbraw/zinc/60/31/05/793603105.db2.gz UYHYSEYCYUZEOK-FIXISWKDSA-N 2 0 341.412 -1.484 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001161480563 793603044 /nfs/dbraw/zinc/60/30/44/793603044.db2.gz UYHYSEYCYUZEOK-HFAKWTLXSA-N 2 0 341.412 -1.484 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001161480564 793602266 /nfs/dbraw/zinc/60/22/66/793602266.db2.gz UYHYSEYCYUZEOK-JRPNMDOOSA-N 2 0 341.412 -1.484 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001161480565 793602437 /nfs/dbraw/zinc/60/24/37/793602437.db2.gz UYHYSEYCYUZEOK-PGUXBMHVSA-N 2 0 341.412 -1.484 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001161480566 793602257 /nfs/dbraw/zinc/60/22/57/793602257.db2.gz UYHYSEYCYUZEOK-RWSFTLGLSA-N 2 0 341.412 -1.484 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001161480567 793602017 /nfs/dbraw/zinc/60/20/17/793602017.db2.gz UYHYSEYCYUZEOK-UEKVPHQBSA-N 2 0 341.412 -1.484 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001161480568 793602495 /nfs/dbraw/zinc/60/24/95/793602495.db2.gz UYHYSEYCYUZEOK-ZETOZRRWSA-N 2 0 341.412 -1.484 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001161480569 793602231 /nfs/dbraw/zinc/60/22/31/793602231.db2.gz UYHYSEYCYUZEOK-ZIBATOQPSA-N 2 0 341.412 -1.484 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001161480574 793603094 /nfs/dbraw/zinc/60/30/94/793603094.db2.gz VDSJDONMKYCNHF-IETSOEAISA-N 2 0 336.392 -1.782 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001161480575 793602067 /nfs/dbraw/zinc/60/20/67/793602067.db2.gz VDSJDONMKYCNHF-PKWAYOAASA-N 2 0 336.392 -1.782 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001161480576 793602698 /nfs/dbraw/zinc/60/26/98/793602698.db2.gz VDSJDONMKYCNHF-SIVJFFJCSA-N 2 0 336.392 -1.782 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001161480577 793602388 /nfs/dbraw/zinc/60/23/88/793602388.db2.gz VDSJDONMKYCNHF-XAGWURHQSA-N 2 0 336.392 -1.782 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001161481995 793602844 /nfs/dbraw/zinc/60/28/44/793602844.db2.gz USOFDGURVHIUBF-HWWQOWPSSA-N 2 0 338.408 -1.310 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001161482000 793602791 /nfs/dbraw/zinc/60/27/91/793602791.db2.gz USOFDGURVHIUBF-MKBNYLNASA-N 2 0 338.408 -1.310 20 0 EAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001161482003 793602483 /nfs/dbraw/zinc/60/24/83/793602483.db2.gz USOFDGURVHIUBF-MQIPJXDCSA-N 2 0 338.408 -1.310 20 0 EAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001161482008 793602515 /nfs/dbraw/zinc/60/25/15/793602515.db2.gz USOFDGURVHIUBF-OZVIIMIRSA-N 2 0 338.408 -1.310 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@](C)(C[NH3+])C1)C(N)=O ZINC001161487693 793603016 /nfs/dbraw/zinc/60/30/16/793603016.db2.gz HKOVOXMZEKSYMR-FIXISWKDSA-N 2 0 327.429 -1.329 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@](C)(C[NH3+])C1)C(N)=O ZINC001161487694 793602562 /nfs/dbraw/zinc/60/25/62/793602562.db2.gz HKOVOXMZEKSYMR-RWSFTLGLSA-N 2 0 327.429 -1.329 20 0 EAADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C[C@@H]1[NH3+] ZINC001161491382 793602115 /nfs/dbraw/zinc/60/21/15/793602115.db2.gz DXQXUQXUAIXOHL-GMXVVIOVSA-N 2 0 336.396 -1.502 20 0 EAADRP CO[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]1[NH3+] ZINC001161491874 793602720 /nfs/dbraw/zinc/60/27/20/793602720.db2.gz JLMFQVAWQQUJED-DTWKUNHWSA-N 2 0 344.372 -4.522 20 0 EAADRP CO[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@H]1[NH3+] ZINC001161492891 793602927 /nfs/dbraw/zinc/60/29/27/793602927.db2.gz YUKQIEZKJQAIQL-GRYCIOLGSA-N 2 0 331.438 -1.415 20 0 EAADRP CO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@H]1[NH3+] ZINC001161492892 793601958 /nfs/dbraw/zinc/60/19/58/793601958.db2.gz YUKQIEZKJQAIQL-SDDRHHMPSA-N 2 0 331.438 -1.415 20 0 EAADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1[NH3+] ZINC001161493295 793602324 /nfs/dbraw/zinc/60/23/24/793602324.db2.gz JOSSGUCJDIJJAI-XDQVBPFNSA-N 3 0 341.456 -1.382 20 0 EAADRP CO[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[C@@H]1[NH3+] ZINC001161493894 793602463 /nfs/dbraw/zinc/60/24/63/793602463.db2.gz USSLJEBFEPSMMV-FIQHERPVSA-N 2 0 341.412 -2.375 20 0 EAADRP C[N@H+](C1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1)[C@H]1CCOC1 ZINC001161498181 793602606 /nfs/dbraw/zinc/60/26/06/793602606.db2.gz ISWGJENSLGFTER-NSHDSACASA-N 2 0 334.442 -1.862 20 0 EAADRP [NH3+][C@H]1CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161499766 793602589 /nfs/dbraw/zinc/60/25/89/793602589.db2.gz IBJAGQJXNCZKGJ-NEPJUHHUSA-N 2 0 332.408 -1.285 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161499768 793602046 /nfs/dbraw/zinc/60/20/46/793602046.db2.gz IBJAGQJXNCZKGJ-NWDGAFQWSA-N 2 0 332.408 -1.285 20 0 EAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161499771 793602424 /nfs/dbraw/zinc/60/24/24/793602424.db2.gz IBJAGQJXNCZKGJ-RYUDHWBXSA-N 2 0 332.408 -1.285 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161499773 793602646 /nfs/dbraw/zinc/60/26/46/793602646.db2.gz IBJAGQJXNCZKGJ-VXGBXAGGSA-N 2 0 332.408 -1.285 20 0 EAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161500810 793603502 /nfs/dbraw/zinc/60/35/02/793603502.db2.gz QBGUSBFVNGWYHH-AAEUAGOBSA-N 2 0 348.407 -1.500 20 0 EAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161500812 793604135 /nfs/dbraw/zinc/60/41/35/793604135.db2.gz QBGUSBFVNGWYHH-WCQYABFASA-N 2 0 348.407 -1.500 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161501097 793603964 /nfs/dbraw/zinc/60/39/64/793603964.db2.gz XQLRYXVQIGGSNX-NHCYSSNCSA-N 2 0 341.412 -2.375 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161501286 793603543 /nfs/dbraw/zinc/60/35/43/793603543.db2.gz UMQJNPILVCLORL-GHMZBOCLSA-N 2 0 333.396 -1.890 20 0 EAADRP [NH3+][C@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161501287 793603634 /nfs/dbraw/zinc/60/36/34/793603634.db2.gz UMQJNPILVCLORL-MNOVXSKESA-N 2 0 333.396 -1.890 20 0 EAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161501288 793604193 /nfs/dbraw/zinc/60/41/93/793604193.db2.gz UMQJNPILVCLORL-QWRGUYRKSA-N 2 0 333.396 -1.890 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161501289 793603437 /nfs/dbraw/zinc/60/34/37/793603437.db2.gz UMQJNPILVCLORL-WDEREUQCSA-N 2 0 333.396 -1.890 20 0 EAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161508130 793604103 /nfs/dbraw/zinc/60/41/03/793604103.db2.gz XMJHHVOCSPJYCR-CHWSQXEVSA-N 2 0 339.440 -1.552 20 0 EAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161508131 793603791 /nfs/dbraw/zinc/60/37/91/793603791.db2.gz XMJHHVOCSPJYCR-OLZOCXBDSA-N 2 0 339.440 -1.552 20 0 EAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161508132 793604151 /nfs/dbraw/zinc/60/41/51/793604151.db2.gz XMJHHVOCSPJYCR-QWHCGFSZSA-N 2 0 339.440 -1.552 20 0 EAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161508133 793603550 /nfs/dbraw/zinc/60/35/50/793603550.db2.gz XMJHHVOCSPJYCR-STQMWFEESA-N 2 0 339.440 -1.552 20 0 EAADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510850 793604052 /nfs/dbraw/zinc/60/40/52/793604052.db2.gz SZCDWYACUYMRLO-KBPBESRZSA-N 2 0 332.404 -1.141 20 0 EAADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510851 793603759 /nfs/dbraw/zinc/60/37/59/793603759.db2.gz SZCDWYACUYMRLO-UONOGXRCSA-N 2 0 332.404 -1.141 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511047 793603857 /nfs/dbraw/zinc/60/38/57/793603857.db2.gz VOKMUMUZAJWVPF-QWRGUYRKSA-N 2 0 328.413 -1.569 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511048 793604233 /nfs/dbraw/zinc/60/42/33/793604233.db2.gz VOKMUMUZAJWVPF-WDEREUQCSA-N 2 0 328.413 -1.569 20 0 EAADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC12COC2 ZINC001161511077 793603461 /nfs/dbraw/zinc/60/34/61/793603461.db2.gz WCZHHXCWTQYOLZ-NEPJUHHUSA-N 2 0 343.449 -1.413 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC12COC2 ZINC001161511078 793604200 /nfs/dbraw/zinc/60/42/00/793604200.db2.gz WCZHHXCWTQYOLZ-NWDGAFQWSA-N 2 0 343.449 -1.413 20 0 EAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC12COC2 ZINC001161511079 793603396 /nfs/dbraw/zinc/60/33/96/793603396.db2.gz WCZHHXCWTQYOLZ-RYUDHWBXSA-N 2 0 343.449 -1.413 20 0 EAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC12COC2 ZINC001161511080 793603442 /nfs/dbraw/zinc/60/34/42/793603442.db2.gz WCZHHXCWTQYOLZ-VXGBXAGGSA-N 2 0 343.449 -1.413 20 0 EAADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511111 793603479 /nfs/dbraw/zinc/60/34/79/793603479.db2.gz WQJKJWQATZBAPM-KBPBESRZSA-N 2 0 332.404 -1.141 20 0 EAADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511112 793603389 /nfs/dbraw/zinc/60/33/89/793603389.db2.gz WQJKJWQATZBAPM-UONOGXRCSA-N 2 0 332.404 -1.141 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@H]([NH3+])C2(COC2)C1)C(N)=O ZINC001161511131 793604009 /nfs/dbraw/zinc/60/40/09/793604009.db2.gz WYXLKBJHWJBKBG-AEJSXWLSSA-N 2 0 327.385 -2.730 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C(N)=O ZINC001161511132 793603715 /nfs/dbraw/zinc/60/37/15/793603715.db2.gz WYXLKBJHWJBKBG-IVZWLZJFSA-N 2 0 327.385 -2.730 20 0 EAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161529398 793603569 /nfs/dbraw/zinc/60/35/69/793603569.db2.gz AIJWDBUJPWWJGM-BDAKNGLRSA-N 2 0 328.373 -3.758 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530294 793604280 /nfs/dbraw/zinc/60/42/80/793604280.db2.gz UXMPWFZRTQUUOG-RHYQMDGZSA-N 2 0 325.413 -1.611 20 0 EAADRP C[NH+]1CC2(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2)C1 ZINC001161532067 793604998 /nfs/dbraw/zinc/60/49/98/793604998.db2.gz MBQJORCRNMVZFW-UHFFFAOYSA-N 2 0 340.384 -3.932 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161532088 793605291 /nfs/dbraw/zinc/60/52/91/793605291.db2.gz MYHHZQVYUABCFW-RYUDHWBXSA-N 2 0 337.424 -1.785 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161548681 793605643 /nfs/dbraw/zinc/60/56/43/793605643.db2.gz VOGLFYCDZGDBLK-UHFFFAOYSA-N 2 0 340.384 -3.742 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550824 793605742 /nfs/dbraw/zinc/60/57/42/793605742.db2.gz QWNHHFSRBXOBNT-RYUDHWBXSA-N 2 0 337.424 -1.595 20 0 EAADRP COC(=O)CC[C@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161571884 793604708 /nfs/dbraw/zinc/60/47/08/793604708.db2.gz XRFHMPGAWCQTEW-KBPBESRZSA-N 2 0 342.440 -1.083 20 0 EAADRP COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161571886 793604961 /nfs/dbraw/zinc/60/49/61/793604961.db2.gz XRFHMPGAWCQTEW-KGLIPLIRSA-N 2 0 342.440 -1.083 20 0 EAADRP COC(=O)CC[C@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161571888 793605313 /nfs/dbraw/zinc/60/53/13/793605313.db2.gz XRFHMPGAWCQTEW-UONOGXRCSA-N 2 0 342.440 -1.083 20 0 EAADRP COC(=O)CC[C@@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161571890 793605039 /nfs/dbraw/zinc/60/50/39/793605039.db2.gz XRFHMPGAWCQTEW-ZIAGYGMSSA-N 2 0 342.440 -1.083 20 0 EAADRP O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872272 793631795 /nfs/dbraw/zinc/63/17/95/793631795.db2.gz MNHSPIHMWZJDBY-BBBYJDLNSA-N 2 0 327.425 -1.046 20 0 EAADRP O=C(NCCC[NH2+]CCOCCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872273 793630831 /nfs/dbraw/zinc/63/08/31/793630831.db2.gz MNHSPIHMWZJDBY-NPCAHTBFSA-N 2 0 327.425 -1.046 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872301 793630905 /nfs/dbraw/zinc/63/09/05/793630905.db2.gz NIGWNTKGEDVMBY-LOIXOFCESA-N 2 0 339.396 -1.860 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872302 793631140 /nfs/dbraw/zinc/63/11/40/793631140.db2.gz NIGWNTKGEDVMBY-VTWZXRTESA-N 2 0 339.396 -1.860 20 0 EAADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872328 793631084 /nfs/dbraw/zinc/63/10/84/793631084.db2.gz OFVADRYTPGBMDB-IOSBVQAASA-N 2 0 327.425 -1.047 20 0 EAADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872329 793631972 /nfs/dbraw/zinc/63/19/72/793631972.db2.gz OFVADRYTPGBMDB-IQXANGCESA-N 2 0 327.425 -1.047 20 0 EAADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872330 793631984 /nfs/dbraw/zinc/63/19/84/793631984.db2.gz OFVADRYTPGBMDB-MYMJJRTCSA-N 2 0 327.425 -1.047 20 0 EAADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872331 793631859 /nfs/dbraw/zinc/63/18/59/793631859.db2.gz OFVADRYTPGBMDB-WJEHIRDRSA-N 2 0 327.425 -1.047 20 0 EAADRP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872396 793631211 /nfs/dbraw/zinc/63/12/11/793631211.db2.gz QNQJUUZSYWTAMF-JVWICGRDSA-N 2 0 345.465 -1.010 20 0 EAADRP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872397 793631294 /nfs/dbraw/zinc/63/12/94/793631294.db2.gz QNQJUUZSYWTAMF-OWYJLGKBSA-N 2 0 345.465 -1.010 20 0 EAADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872472 793631777 /nfs/dbraw/zinc/63/17/77/793631777.db2.gz SXHCTFBTROXCRL-AVERBVTBSA-N 2 0 335.412 -1.331 20 0 EAADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872473 793632015 /nfs/dbraw/zinc/63/20/15/793632015.db2.gz SXHCTFBTROXCRL-MQYJIDSJSA-N 2 0 335.412 -1.331 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001164536034 793663599 /nfs/dbraw/zinc/66/35/99/793663599.db2.gz LCXKDHRFYFARKM-NEPJUHHUSA-N 2 0 343.428 -1.225 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001164536035 793663454 /nfs/dbraw/zinc/66/34/54/793663454.db2.gz LCXKDHRFYFARKM-NWDGAFQWSA-N 2 0 343.428 -1.225 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001164536036 793663125 /nfs/dbraw/zinc/66/31/25/793663125.db2.gz LCXKDHRFYFARKM-RYUDHWBXSA-N 2 0 343.428 -1.225 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001164536037 793662547 /nfs/dbraw/zinc/66/25/47/793662547.db2.gz LCXKDHRFYFARKM-VXGBXAGGSA-N 2 0 343.428 -1.225 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001164536296 793662962 /nfs/dbraw/zinc/66/29/62/793662962.db2.gz PTLFVDWPXWQQPG-LLVKDONJSA-N 2 0 329.401 -1.614 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001164536297 793663485 /nfs/dbraw/zinc/66/34/85/793663485.db2.gz PTLFVDWPXWQQPG-NSHDSACASA-N 2 0 329.401 -1.614 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001164538351 793663527 /nfs/dbraw/zinc/66/35/27/793663527.db2.gz FIGDKEHZXUOSNM-CHWSQXEVSA-N 2 0 340.424 -1.003 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001164538353 793663027 /nfs/dbraw/zinc/66/30/27/793663027.db2.gz FIGDKEHZXUOSNM-OLZOCXBDSA-N 2 0 340.424 -1.003 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001164538354 793662761 /nfs/dbraw/zinc/66/27/61/793662761.db2.gz FIGDKEHZXUOSNM-QWHCGFSZSA-N 2 0 340.424 -1.003 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001164538356 793663186 /nfs/dbraw/zinc/66/31/86/793663186.db2.gz FIGDKEHZXUOSNM-STQMWFEESA-N 2 0 340.424 -1.003 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164539094 793663403 /nfs/dbraw/zinc/66/34/03/793663403.db2.gz SBECDCJCMSVEPE-GFCCVEGCSA-N 2 0 343.428 -1.353 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164539095 793663511 /nfs/dbraw/zinc/66/35/11/793663511.db2.gz SBECDCJCMSVEPE-LBPRGKRZSA-N 2 0 343.428 -1.353 20 0 EAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001164539392 793663560 /nfs/dbraw/zinc/66/35/60/793663560.db2.gz ZQABOMILGWCVEJ-GFCCVEGCSA-N 2 0 325.417 -1.085 20 0 EAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001164539394 793662917 /nfs/dbraw/zinc/66/29/17/793662917.db2.gz ZQABOMILGWCVEJ-LBPRGKRZSA-N 2 0 325.417 -1.085 20 0 EAADRP O=C1CN(c2ccc(N3CC[NH2+]CC3)nn2)CC2(CC[NH2+]CC2)N1 ZINC001165252772 793666440 /nfs/dbraw/zinc/66/64/40/793666440.db2.gz QKLPLUATJUEAGM-UHFFFAOYSA-N 2 0 331.424 -1.055 20 0 EAADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001165252955 793666088 /nfs/dbraw/zinc/66/60/88/793666088.db2.gz CWTYPHWFFOVBOG-UHFFFAOYSA-N 2 0 339.440 -1.618 20 0 EAADRP O=C1CN(c2cncc(N3CC[NH2+]CC3)n2)CC2(CC[NH2+]CC2)N1 ZINC001165256182 793666744 /nfs/dbraw/zinc/66/67/44/793666744.db2.gz ODTAAUGDELASCN-UHFFFAOYSA-N 2 0 331.424 -1.055 20 0 EAADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001165263403 793666686 /nfs/dbraw/zinc/66/66/86/793666686.db2.gz OGKBAVSJLHXDEO-UHFFFAOYSA-N 2 0 325.413 -1.024 20 0 EAADRP O=C(c1cccnc1N1CCNC(=O)C12C[NH2+]C2)N1CC[NH2+]CC1 ZINC001165302060 793667611 /nfs/dbraw/zinc/66/76/11/793667611.db2.gz GSOFPJNMXKPDDP-UHFFFAOYSA-N 2 0 330.392 -1.595 20 0 EAADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001165360778 793667686 /nfs/dbraw/zinc/66/76/86/793667686.db2.gz SARXIWPINOZSQY-CYBMUJFWSA-N 2 0 342.440 -1.066 20 0 EAADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001165360783 793668126 /nfs/dbraw/zinc/66/81/26/793668126.db2.gz SARXIWPINOZSQY-ZDUSSCGKSA-N 2 0 342.440 -1.066 20 0 EAADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001165367115 793668010 /nfs/dbraw/zinc/66/80/10/793668010.db2.gz MITNPWTXKUCYCR-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP [NH3+][C@H]1[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H]12 ZINC001165383065 793668027 /nfs/dbraw/zinc/66/80/27/793668027.db2.gz OHHKRICNWVKTHK-CLLJXQQHSA-N 2 0 347.423 -1.062 20 0 EAADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001165771884 793675351 /nfs/dbraw/zinc/67/53/51/793675351.db2.gz DSBQNEHQZUDBNO-UHFFFAOYSA-N 2 0 339.440 -1.618 20 0 EAADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001165776546 793674599 /nfs/dbraw/zinc/67/45/99/793674599.db2.gz KUKUBSHVTNLKBO-UHFFFAOYSA-N 2 0 325.413 -1.024 20 0 EAADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001165781192 793674325 /nfs/dbraw/zinc/67/43/25/793674325.db2.gz KKAVWNIQEMUZKX-GFCCVEGCSA-N 2 0 328.413 -1.456 20 0 EAADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001165781193 793674904 /nfs/dbraw/zinc/67/49/04/793674904.db2.gz KKAVWNIQEMUZKX-LBPRGKRZSA-N 2 0 328.413 -1.456 20 0 EAADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001165781313 793675466 /nfs/dbraw/zinc/67/54/66/793675466.db2.gz PEJPOHBGWVISDB-UHFFFAOYSA-N 2 0 341.456 -1.242 20 0 EAADRP Cn1c(C[NH2+]CCCNC(=O)CC[NH+](C)C)cc(=O)n(C)c1=O ZINC001165788266 793674622 /nfs/dbraw/zinc/67/46/22/793674622.db2.gz CEYMBWLPRKFXDC-UHFFFAOYSA-N 2 0 325.413 -1.368 20 0 EAADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001165788427 793674978 /nfs/dbraw/zinc/67/49/78/793674978.db2.gz KTOSWJHGONEWEH-CYBMUJFWSA-N 2 0 341.456 -1.242 20 0 EAADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001165788428 793675343 /nfs/dbraw/zinc/67/53/43/793675343.db2.gz KTOSWJHGONEWEH-ZDUSSCGKSA-N 2 0 341.456 -1.242 20 0 EAADRP CC(=O)N1CCN(C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)CC1 ZINC001165788776 793674689 /nfs/dbraw/zinc/67/46/89/793674689.db2.gz UTHDXDSFSKHASK-UHFFFAOYSA-N 2 0 341.456 -1.275 20 0 EAADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001165800824 793675033 /nfs/dbraw/zinc/67/50/33/793675033.db2.gz JGWMBMIEZHYEBR-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165801462 793675059 /nfs/dbraw/zinc/67/50/59/793675059.db2.gz UYYUIFGDOYOFDL-GFCCVEGCSA-N 2 0 345.444 -1.105 20 0 EAADRP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165801463 793674350 /nfs/dbraw/zinc/67/43/50/793674350.db2.gz UYYUIFGDOYOFDL-LBPRGKRZSA-N 2 0 345.444 -1.105 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001165801535 793674168 /nfs/dbraw/zinc/67/41/68/793674168.db2.gz YMIZPSRCRKVHOH-GFCCVEGCSA-N 2 0 329.445 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001165801536 793675266 /nfs/dbraw/zinc/67/52/66/793675266.db2.gz YMIZPSRCRKVHOH-LBPRGKRZSA-N 2 0 329.445 -1.373 20 0 EAADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001166004304 793677030 /nfs/dbraw/zinc/67/70/30/793677030.db2.gz KBFQNFDZTYNGKU-OAHLLOKOSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166634915 793684305 /nfs/dbraw/zinc/68/43/05/793684305.db2.gz YKTSSDWBKDIJSL-CYBMUJFWSA-N 2 0 339.440 -1.475 20 0 EAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166634916 793684006 /nfs/dbraw/zinc/68/40/06/793684006.db2.gz YKTSSDWBKDIJSL-ZDUSSCGKSA-N 2 0 339.440 -1.475 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001166668265 793683808 /nfs/dbraw/zinc/68/38/08/793683808.db2.gz XFZSNSHLXSYQEJ-CYBMUJFWSA-N 2 0 339.440 -1.618 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001166668266 793684094 /nfs/dbraw/zinc/68/40/94/793684094.db2.gz XFZSNSHLXSYQEJ-ZDUSSCGKSA-N 2 0 339.440 -1.618 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001166677841 793683832 /nfs/dbraw/zinc/68/38/32/793683832.db2.gz OFWKRLYTPBDJCV-GFCCVEGCSA-N 2 0 325.413 -1.024 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001166677842 793684634 /nfs/dbraw/zinc/68/46/34/793684634.db2.gz OFWKRLYTPBDJCV-LBPRGKRZSA-N 2 0 325.413 -1.024 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166694543 793685517 /nfs/dbraw/zinc/68/55/17/793685517.db2.gz XTUYOEBKZGEKGF-NEPJUHHUSA-N 2 0 325.413 -1.168 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166694544 793686358 /nfs/dbraw/zinc/68/63/58/793686358.db2.gz XTUYOEBKZGEKGF-NWDGAFQWSA-N 2 0 325.413 -1.168 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166694545 793685425 /nfs/dbraw/zinc/68/54/25/793685425.db2.gz XTUYOEBKZGEKGF-RYUDHWBXSA-N 2 0 325.413 -1.168 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166694546 793685549 /nfs/dbraw/zinc/68/55/49/793685549.db2.gz XTUYOEBKZGEKGF-VXGBXAGGSA-N 2 0 325.413 -1.168 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166707294 793686292 /nfs/dbraw/zinc/68/62/92/793686292.db2.gz FJQSENAOUVXQNC-CHWSQXEVSA-N 2 0 339.440 -1.762 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166707295 793685988 /nfs/dbraw/zinc/68/59/88/793685988.db2.gz FJQSENAOUVXQNC-OLZOCXBDSA-N 2 0 339.440 -1.762 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166707296 793685100 /nfs/dbraw/zinc/68/51/00/793685100.db2.gz FJQSENAOUVXQNC-QWHCGFSZSA-N 2 0 339.440 -1.762 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166707297 793685886 /nfs/dbraw/zinc/68/58/86/793685886.db2.gz FJQSENAOUVXQNC-STQMWFEESA-N 2 0 339.440 -1.762 20 0 EAADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001166852351 793687127 /nfs/dbraw/zinc/68/71/27/793687127.db2.gz PTYHOWSBTXHFFV-OLZOCXBDSA-N 2 0 342.440 -1.068 20 0 EAADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)[NH+](C)C ZINC001166852353 793687219 /nfs/dbraw/zinc/68/72/19/793687219.db2.gz PTYHOWSBTXHFFV-STQMWFEESA-N 2 0 342.440 -1.068 20 0 EAADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001166858103 793687263 /nfs/dbraw/zinc/68/72/63/793687263.db2.gz MZZSZQICVAIHLI-LBPRGKRZSA-N 2 0 327.429 -1.619 20 0 EAADRP C[C@H](COCC(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001166930754 793689476 /nfs/dbraw/zinc/68/94/76/793689476.db2.gz MZVPSJDCPLPMDG-GFCCVEGCSA-N 2 0 343.428 -1.222 20 0 EAADRP C[C@@H](COCC(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001166930755 793689466 /nfs/dbraw/zinc/68/94/66/793689466.db2.gz MZVPSJDCPLPMDG-LBPRGKRZSA-N 2 0 343.428 -1.222 20 0 EAADRP CS(=O)(=O)c1nc2c(c(N3CCO[C@@H](C[NH3+])C3)n1)CC[NH2+]CC2 ZINC001166937496 793689003 /nfs/dbraw/zinc/68/90/03/793689003.db2.gz AGCAJWTYVBPDJX-JTQLQIEISA-N 2 0 341.437 -1.268 20 0 EAADRP CS(=O)(=O)c1nc2c(c(N3C[C@@H](O)[C@@H]([NH3+])C3)n1)CC[NH2+]CC2 ZINC001167089062 785088647 /nfs/dbraw/zinc/08/86/47/785088647.db2.gz ACXFSXPEBGRBRM-GXSJLCMTSA-N 2 0 327.410 -1.924 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167732477 785286055 /nfs/dbraw/zinc/28/60/55/785286055.db2.gz DKMALEZSQSKLJC-UHFFFAOYSA-N 2 0 343.428 -1.364 20 0 EAADRP C[NH+]1CCC(NC(=O)c2ccc(-n3nnc(CC[NH3+])n3)nn2)CC1 ZINC001167790078 785373928 /nfs/dbraw/zinc/37/39/28/785373928.db2.gz CMXIXRCLKANEPK-UHFFFAOYSA-N 2 0 331.384 -1.223 20 0 EAADRP OC[C@H]1O[C@H](O)[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](O)[C@@H]1O ZINC001167968193 785601423 /nfs/dbraw/zinc/60/14/23/785601423.db2.gz NUFLRGGGAGWRPQ-IAOFBZOJSA-N 2 0 342.436 -1.219 20 0 EAADRP OC[C@H]1O[C@@H](O)[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](O)[C@@H]1O ZINC001167968194 785602147 /nfs/dbraw/zinc/60/21/47/785602147.db2.gz NUFLRGGGAGWRPQ-OUUCUMNPSA-N 2 0 342.436 -1.219 20 0 EAADRP Cn1nnnc1C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043351 785668836 /nfs/dbraw/zinc/66/88/36/785668836.db2.gz JKWXWVCSCJTIOZ-UHFFFAOYSA-N 2 0 335.416 -1.122 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001168052486 785704877 /nfs/dbraw/zinc/70/48/77/785704877.db2.gz RORMGLVZNVTJGK-UHFFFAOYSA-N 2 0 339.400 -1.651 20 0 EAADRP COCCCNC(=O)C[NH2+]CCCNC(=O)CCN1CCOCC1 ZINC001168416986 785939190 /nfs/dbraw/zinc/93/91/90/785939190.db2.gz KTAKZPJYWXATFX-UHFFFAOYSA-N 2 0 344.456 -1.043 20 0 EAADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001168754896 786238418 /nfs/dbraw/zinc/23/84/18/786238418.db2.gz DHJSVDJCDDHAGV-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001168764296 786300022 /nfs/dbraw/zinc/30/00/22/786300022.db2.gz XSWKNMIMSPBOQM-CYBMUJFWSA-N 2 0 342.440 -1.066 20 0 EAADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001168764297 786299495 /nfs/dbraw/zinc/29/94/95/786299495.db2.gz XSWKNMIMSPBOQM-ZDUSSCGKSA-N 2 0 342.440 -1.066 20 0 EAADRP O=C(Cc1ncc[nH]1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001169212080 786502590 /nfs/dbraw/zinc/50/25/90/786502590.db2.gz OMWOLHXUJBFWKU-LLVKDONJSA-N 2 0 337.380 -1.442 20 0 EAADRP O=C(Cc1ncc[nH]1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001169212081 786502221 /nfs/dbraw/zinc/50/22/21/786502221.db2.gz OMWOLHXUJBFWKU-NSHDSACASA-N 2 0 337.380 -1.442 20 0 EAADRP Cn1c(=O)cc(C[NH2+]CCCNC(=O)Cc2ncc[nH]2)n(C)c1=O ZINC001169229327 786501616 /nfs/dbraw/zinc/50/16/16/786501616.db2.gz XQZMCBRUFLWCKM-UHFFFAOYSA-N 2 0 334.380 -1.354 20 0 EAADRP CCOC(=O)CNC(=O)CNC(=O)CNC1CC[NH+](CC)CC1 ZINC001169233069 786501691 /nfs/dbraw/zinc/50/16/91/786501691.db2.gz IWUGLISUJRXNPD-UHFFFAOYSA-N 2 0 328.413 -1.144 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)Cc1ncc[nH]1)C(=O)N(C)C ZINC001169235992 786502051 /nfs/dbraw/zinc/50/20/51/786502051.db2.gz FPBLPULDSVZGJZ-LLVKDONJSA-N 2 0 338.412 -1.359 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)Cc1ncc[nH]1)C(=O)N(C)C ZINC001169235995 786502532 /nfs/dbraw/zinc/50/25/32/786502532.db2.gz FPBLPULDSVZGJZ-NSHDSACASA-N 2 0 338.412 -1.359 20 0 EAADRP CC[NH+]1CCC(NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001169244428 786502708 /nfs/dbraw/zinc/50/27/08/786502708.db2.gz OAHVOUREMXNFSL-ZDUSSCGKSA-N 2 0 339.440 -1.347 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001169531428 786518399 /nfs/dbraw/zinc/51/83/99/786518399.db2.gz RCZBIQVXMSCTOF-CYBMUJFWSA-N 2 0 340.424 -1.002 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001169531429 786518227 /nfs/dbraw/zinc/51/82/27/786518227.db2.gz RCZBIQVXMSCTOF-ZDUSSCGKSA-N 2 0 340.424 -1.002 20 0 EAADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001169531818 786518404 /nfs/dbraw/zinc/51/84/04/786518404.db2.gz UPOVOFCNBNJINU-UHFFFAOYSA-N 2 0 329.401 -1.612 20 0 EAADRP C[C@@H]([NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001169532209 786518109 /nfs/dbraw/zinc/51/81/09/786518109.db2.gz ZKZKOZLXERNWMM-LLVKDONJSA-N 2 0 343.428 -1.224 20 0 EAADRP C[C@H]([NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001169532210 786518055 /nfs/dbraw/zinc/51/80/55/786518055.db2.gz ZKZKOZLXERNWMM-NSHDSACASA-N 2 0 343.428 -1.224 20 0 EAADRP Cn1nnnc1C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541209 786519116 /nfs/dbraw/zinc/51/91/16/786519116.db2.gz GEIMCYACQMXNHN-UHFFFAOYSA-N 2 0 325.417 -1.083 20 0 EAADRP Cn1[nH]c(C[NH2+]CCCNC(=O)COC2CC[NH+](C)CC2)nc1=O ZINC001169541699 786519246 /nfs/dbraw/zinc/51/92/46/786519246.db2.gz OICRLNMRHKGSKB-UHFFFAOYSA-N 2 0 340.428 -1.185 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541823 786519030 /nfs/dbraw/zinc/51/90/30/786519030.db2.gz PDRCJSYJCLSGNC-UHFFFAOYSA-N 2 0 343.428 -1.351 20 0 EAADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001170211126 786781110 /nfs/dbraw/zinc/78/11/10/786781110.db2.gz KNMCAZNYNPQECZ-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001170221592 786780998 /nfs/dbraw/zinc/78/09/98/786780998.db2.gz FGWKKLIFDXVOLR-CYBMUJFWSA-N 2 0 342.440 -1.066 20 0 EAADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001170221936 786781408 /nfs/dbraw/zinc/78/14/08/786781408.db2.gz FGWKKLIFDXVOLR-ZDUSSCGKSA-N 2 0 342.440 -1.066 20 0 EAADRP COC(=O)CNS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170897582 787336678 /nfs/dbraw/zinc/33/66/78/787336678.db2.gz OBJBWOMJODIZTQ-JTQLQIEISA-N 2 0 331.398 -1.032 20 0 EAADRP COC(=O)CNS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170897583 787336476 /nfs/dbraw/zinc/33/64/76/787336476.db2.gz OBJBWOMJODIZTQ-SNVBAGLBSA-N 2 0 331.398 -1.032 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001171197647 787466889 /nfs/dbraw/zinc/46/68/89/787466889.db2.gz IYIIITLTCNEGCI-UHFFFAOYSA-N 2 0 344.456 -1.044 20 0 EAADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171198510 787466228 /nfs/dbraw/zinc/46/62/28/787466228.db2.gz PNIDSQWCTQTFNI-GFCCVEGCSA-N 2 0 345.444 -1.105 20 0 EAADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171198517 787466421 /nfs/dbraw/zinc/46/64/21/787466421.db2.gz PNIDSQWCTQTFNI-LBPRGKRZSA-N 2 0 345.444 -1.105 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001171204505 787469608 /nfs/dbraw/zinc/46/96/08/787469608.db2.gz BFTKSKMSDBAHJG-UHFFFAOYSA-N 2 0 343.428 -1.398 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001171204619 787468906 /nfs/dbraw/zinc/46/89/06/787468906.db2.gz DFIQCLOAQFAYAS-UHFFFAOYSA-N 2 0 330.429 -1.481 20 0 EAADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)CCO1 ZINC001171204640 787469177 /nfs/dbraw/zinc/46/91/77/787469177.db2.gz DQKRJPAXCUIZTR-AWEZNQCLSA-N 2 0 344.456 -1.092 20 0 EAADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)CCO1 ZINC001171204642 787469362 /nfs/dbraw/zinc/46/93/62/787469362.db2.gz DQKRJPAXCUIZTR-CQSZACIVSA-N 2 0 344.456 -1.092 20 0 EAADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204659 787469081 /nfs/dbraw/zinc/46/90/81/787469081.db2.gz DYMGJVMVROQCIR-UHFFFAOYSA-N 2 0 332.445 -1.187 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001171204752 787469040 /nfs/dbraw/zinc/46/90/40/787469040.db2.gz FBFULRFWVHXLJK-UHFFFAOYSA-N 2 0 343.428 -2.381 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204901 787469380 /nfs/dbraw/zinc/46/93/80/787469380.db2.gz HPDPZCHAVUUIBR-UHFFFAOYSA-N 2 0 331.417 -1.494 20 0 EAADRP CN(CC[NH2+]CCCNC(=O)COCC[NH+](C)C)S(C)(=O)=O ZINC001171204920 787469417 /nfs/dbraw/zinc/46/94/17/787469417.db2.gz IGNUARCNPSLRSE-UHFFFAOYSA-N 2 0 338.474 -1.448 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001171204979 787469136 /nfs/dbraw/zinc/46/91/36/787469136.db2.gz JVAWHRBANDWNMM-UHFFFAOYSA-N 2 0 340.428 -1.018 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001171205146 787469688 /nfs/dbraw/zinc/46/96/88/787469688.db2.gz NOGKVWYTNGKJDP-AWEZNQCLSA-N 2 0 344.456 -1.356 20 0 EAADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205183 787469050 /nfs/dbraw/zinc/46/90/50/787469050.db2.gz PUKBGEQUSAFREK-AWEZNQCLSA-N 2 0 335.445 -1.316 20 0 EAADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205184 787468925 /nfs/dbraw/zinc/46/89/25/787468925.db2.gz PUKBGEQUSAFREK-CQSZACIVSA-N 2 0 335.445 -1.316 20 0 EAADRP COCCCNC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205193 787469428 /nfs/dbraw/zinc/46/94/28/787469428.db2.gz QDTWGGLEDFATKK-UHFFFAOYSA-N 2 0 332.445 -1.187 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001171205795 787469241 /nfs/dbraw/zinc/46/92/41/787469241.db2.gz XMXYLFRLKSOXPV-UHFFFAOYSA-N 2 0 343.428 -1.351 20 0 EAADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205797 787470397 /nfs/dbraw/zinc/47/03/97/787470397.db2.gz XOJPGJJRJGCDOA-UHFFFAOYSA-N 2 0 332.445 -1.187 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171205800 787470275 /nfs/dbraw/zinc/47/02/75/787470275.db2.gz XQNKKJWUDIDPOK-UHFFFAOYSA-N 2 0 329.401 -1.788 20 0 EAADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205817 787470348 /nfs/dbraw/zinc/47/03/48/787470348.db2.gz XVYFPJSGUFNALT-UHFFFAOYSA-N 2 0 345.444 -1.104 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001171205826 787470427 /nfs/dbraw/zinc/47/04/27/787470427.db2.gz XXFAZUCVQXQAJC-AWEZNQCLSA-N 2 0 344.456 -1.044 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001171205828 787470568 /nfs/dbraw/zinc/47/05/68/787470568.db2.gz XXFAZUCVQXQAJC-CQSZACIVSA-N 2 0 344.456 -1.044 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001171215353 787472217 /nfs/dbraw/zinc/47/22/17/787472217.db2.gz AUAQLFWGDQIFCU-AWEZNQCLSA-N 2 0 344.456 -1.187 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001171215354 787472890 /nfs/dbraw/zinc/47/28/90/787472890.db2.gz AUAQLFWGDQIFCU-CQSZACIVSA-N 2 0 344.456 -1.187 20 0 EAADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216913 787474075 /nfs/dbraw/zinc/47/40/75/787474075.db2.gz KYCZSRKPAHIPLC-UHFFFAOYSA-N 2 0 338.474 -1.400 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001171217450 787472909 /nfs/dbraw/zinc/47/29/09/787472909.db2.gz MXWYTHWKMXJCQU-AWEZNQCLSA-N 2 0 327.429 -1.082 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001171217451 787472848 /nfs/dbraw/zinc/47/28/48/787472848.db2.gz MXWYTHWKMXJCQU-CQSZACIVSA-N 2 0 327.429 -1.082 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171217891 787472235 /nfs/dbraw/zinc/47/22/35/787472235.db2.gz OYBVVZDSHYPVIM-LLVKDONJSA-N 2 0 331.417 -1.495 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171217895 787472731 /nfs/dbraw/zinc/47/27/31/787472731.db2.gz OYBVVZDSHYPVIM-NSHDSACASA-N 2 0 331.417 -1.495 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001171219235 787474053 /nfs/dbraw/zinc/47/40/53/787474053.db2.gz WJLFKGDTMCTLDZ-CYBMUJFWSA-N 2 0 339.440 -1.618 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001171219237 787474079 /nfs/dbraw/zinc/47/40/79/787474079.db2.gz WJLFKGDTMCTLDZ-ZDUSSCGKSA-N 2 0 339.440 -1.618 20 0 EAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001171219269 787473542 /nfs/dbraw/zinc/47/35/42/787473542.db2.gz WUCZHCYTJUTEDT-UHFFFAOYSA-N 2 0 328.413 -1.191 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001171226435 787475055 /nfs/dbraw/zinc/47/50/55/787475055.db2.gz GSTVFTQLUYGIHY-GFCCVEGCSA-N 2 0 325.413 -1.024 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001171226436 787475336 /nfs/dbraw/zinc/47/53/36/787475336.db2.gz GSTVFTQLUYGIHY-LBPRGKRZSA-N 2 0 325.413 -1.024 20 0 EAADRP Cn1c(C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)cc(=O)n(C)c1=O ZINC001171303564 787544728 /nfs/dbraw/zinc/54/47/28/787544728.db2.gz QNVPSVXJXQCFQX-UHFFFAOYSA-N 2 0 349.435 -1.224 20 0 EAADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)N1CCNC(=O)C1 ZINC001171303666 787543855 /nfs/dbraw/zinc/54/38/55/787543855.db2.gz WASCILZMKMJGBN-UHFFFAOYSA-N 2 0 337.424 -1.864 20 0 EAADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001171579280 787804223 /nfs/dbraw/zinc/80/42/23/787804223.db2.gz SNQUDHQZWYPFLX-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001171726031 787805927 /nfs/dbraw/zinc/80/59/27/787805927.db2.gz UPGUISPGQRIABB-UHFFFAOYSA-N 2 0 341.456 -1.227 20 0 EAADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001171763278 787807881 /nfs/dbraw/zinc/80/78/81/787807881.db2.gz XHACMCWCXJDMLY-UHFFFAOYSA-N 2 0 327.429 -1.618 20 0 EAADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001171769623 787807526 /nfs/dbraw/zinc/80/75/26/787807526.db2.gz AWJCUTSGSMISDZ-CYBMUJFWSA-N 2 0 342.440 -1.066 20 0 EAADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001171769624 787807583 /nfs/dbraw/zinc/80/75/83/787807583.db2.gz AWJCUTSGSMISDZ-ZDUSSCGKSA-N 2 0 342.440 -1.066 20 0 EAADRP CC[NH+](CC)C1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001173109279 787815724 /nfs/dbraw/zinc/81/57/24/787815724.db2.gz AYOWDVGWJAJGBZ-UHFFFAOYSA-N 2 0 341.456 -1.053 20 0 EAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C[C@@H]1C(=O)OC ZINC001173569442 787822910 /nfs/dbraw/zinc/82/29/10/787822910.db2.gz IKDFHNTZALVPNF-JGPRNRPPSA-N 2 0 347.372 -1.135 20 0 EAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C[C@@H]1C(=O)OC ZINC001173569443 787823137 /nfs/dbraw/zinc/82/31/37/787823137.db2.gz IKDFHNTZALVPNF-RTCCRHLQSA-N 2 0 347.372 -1.135 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001176058380 787856044 /nfs/dbraw/zinc/85/60/44/787856044.db2.gz WHDOYXFZLCNXPP-CHWSQXEVSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001176058381 787856216 /nfs/dbraw/zinc/85/62/16/787856216.db2.gz WHDOYXFZLCNXPP-OLZOCXBDSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001176058382 787854678 /nfs/dbraw/zinc/85/46/78/787854678.db2.gz WHDOYXFZLCNXPP-QWHCGFSZSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001176058383 787854983 /nfs/dbraw/zinc/85/49/83/787854983.db2.gz WHDOYXFZLCNXPP-STQMWFEESA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001176058638 787856165 /nfs/dbraw/zinc/85/61/65/787856165.db2.gz ZLXUEVBYLLZQEA-GFCCVEGCSA-N 2 0 325.413 -1.024 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001176058640 787854766 /nfs/dbraw/zinc/85/47/66/787854766.db2.gz ZLXUEVBYLLZQEA-LBPRGKRZSA-N 2 0 325.413 -1.024 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001176071924 787853363 /nfs/dbraw/zinc/85/33/63/787853363.db2.gz KSOUDAIJSLYGGP-GFCCVEGCSA-N 2 0 325.413 -2.008 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001176071927 787853716 /nfs/dbraw/zinc/85/37/16/787853716.db2.gz KSOUDAIJSLYGGP-LBPRGKRZSA-N 2 0 325.413 -2.008 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001176095845 787855864 /nfs/dbraw/zinc/85/58/64/787855864.db2.gz JHDFKXBVCVMKJJ-CHWSQXEVSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001176095846 787856312 /nfs/dbraw/zinc/85/63/12/787856312.db2.gz JHDFKXBVCVMKJJ-OLZOCXBDSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001176095847 787856181 /nfs/dbraw/zinc/85/61/81/787856181.db2.gz JHDFKXBVCVMKJJ-QWHCGFSZSA-N 2 0 341.456 -1.373 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001176095848 787855166 /nfs/dbraw/zinc/85/51/66/787855166.db2.gz JHDFKXBVCVMKJJ-STQMWFEESA-N 2 0 341.456 -1.373 20 0 EAADRP Cn1c(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001176096303 787855738 /nfs/dbraw/zinc/85/57/38/787855738.db2.gz OYLTYAZDQSZBRO-GFCCVEGCSA-N 2 0 337.424 -1.368 20 0 EAADRP Cn1c(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001176096304 787855468 /nfs/dbraw/zinc/85/54/68/787855468.db2.gz OYLTYAZDQSZBRO-LBPRGKRZSA-N 2 0 337.424 -1.368 20 0 EAADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176103447 787856337 /nfs/dbraw/zinc/85/63/37/787856337.db2.gz YYWZVEIOBQMFAN-UHFFFAOYSA-N 2 0 325.413 -1.864 20 0 EAADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001176109689 787855413 /nfs/dbraw/zinc/85/54/13/787855413.db2.gz CIQZBXUUVMJSPE-CYBMUJFWSA-N 2 0 340.424 -1.312 20 0 EAADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001176109694 787854946 /nfs/dbraw/zinc/85/49/46/787854946.db2.gz CIQZBXUUVMJSPE-ZDUSSCGKSA-N 2 0 340.424 -1.312 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001176118158 787855069 /nfs/dbraw/zinc/85/50/69/787855069.db2.gz KDZFOPSYRAFPMT-CYBMUJFWSA-N 2 0 341.456 -1.229 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001176118159 787854874 /nfs/dbraw/zinc/85/48/74/787854874.db2.gz KDZFOPSYRAFPMT-ZDUSSCGKSA-N 2 0 341.456 -1.229 20 0 EAADRP Cn1c(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)cc(=O)n(C)c1=O ZINC001176118573 787854649 /nfs/dbraw/zinc/85/46/49/787854649.db2.gz OISZWZBNYWJCID-UHFFFAOYSA-N 2 0 337.424 -1.224 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176152715 787855665 /nfs/dbraw/zinc/85/56/65/787855665.db2.gz HJCNLRGWYPWMIC-LLVKDONJSA-N 2 0 329.401 -1.755 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176152716 787855432 /nfs/dbraw/zinc/85/54/32/787855432.db2.gz HJCNLRGWYPWMIC-NSHDSACASA-N 2 0 329.401 -1.755 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176153125 787855695 /nfs/dbraw/zinc/85/56/95/787855695.db2.gz PNNUQUKFTUDJAZ-GFCCVEGCSA-N 2 0 343.428 -1.494 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176153126 787854744 /nfs/dbraw/zinc/85/47/44/787854744.db2.gz PNNUQUKFTUDJAZ-LBPRGKRZSA-N 2 0 343.428 -1.494 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176161038 787857241 /nfs/dbraw/zinc/85/72/41/787857241.db2.gz MFKHJPQZJDRBLG-NEPJUHHUSA-N 2 0 343.428 -1.366 20 0 EAADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001176161039 787857171 /nfs/dbraw/zinc/85/71/71/787857171.db2.gz MFKHJPQZJDRBLG-NWDGAFQWSA-N 2 0 343.428 -1.366 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176161040 787857928 /nfs/dbraw/zinc/85/79/28/787857928.db2.gz MFKHJPQZJDRBLG-RYUDHWBXSA-N 2 0 343.428 -1.366 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001176161041 787856541 /nfs/dbraw/zinc/85/65/41/787856541.db2.gz MFKHJPQZJDRBLG-VXGBXAGGSA-N 2 0 343.428 -1.366 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176161091 787857037 /nfs/dbraw/zinc/85/70/37/787857037.db2.gz NOHUXTVSSSDNML-CHWSQXEVSA-N 2 0 340.424 -1.144 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176161092 787856677 /nfs/dbraw/zinc/85/66/77/787856677.db2.gz NOHUXTVSSSDNML-OLZOCXBDSA-N 2 0 340.424 -1.144 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176161093 787857835 /nfs/dbraw/zinc/85/78/35/787857835.db2.gz NOHUXTVSSSDNML-QWHCGFSZSA-N 2 0 340.424 -1.144 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176161094 787857526 /nfs/dbraw/zinc/85/75/26/787857526.db2.gz NOHUXTVSSSDNML-STQMWFEESA-N 2 0 340.424 -1.144 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176169601 787855554 /nfs/dbraw/zinc/85/55/54/787855554.db2.gz NARZVECYZHUJDJ-GFCCVEGCSA-N 2 0 325.417 -1.226 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176169604 787855621 /nfs/dbraw/zinc/85/56/21/787855621.db2.gz NARZVECYZHUJDJ-LBPRGKRZSA-N 2 0 325.417 -1.226 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176972344 787885000 /nfs/dbraw/zinc/88/50/00/787885000.db2.gz XINQXVNOHDJJJY-UHFFFAOYSA-N 2 0 327.429 -1.619 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001176975057 787885309 /nfs/dbraw/zinc/88/53/09/787885309.db2.gz JMPZWBQMRRPBRT-CYBMUJFWSA-N 2 0 342.440 -1.068 20 0 EAADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001176975058 787884937 /nfs/dbraw/zinc/88/49/37/787884937.db2.gz JMPZWBQMRRPBRT-ZDUSSCGKSA-N 2 0 342.440 -1.068 20 0 EAADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)CCN1C(=O)CC[NH+](C)C ZINC001179481105 787947437 /nfs/dbraw/zinc/94/74/37/787947437.db2.gz AYTGMPOPPKQEQI-STQMWFEESA-N 2 0 339.440 -1.525 20 0 EAADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCN1CCOCC1 ZINC001179720011 787951801 /nfs/dbraw/zinc/95/18/01/787951801.db2.gz UIDHZZAQGXGSJS-RYUDHWBXSA-N 2 0 341.412 -1.517 20 0 EAADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)COCC[NH+](C)C ZINC001179929237 787954604 /nfs/dbraw/zinc/95/46/04/787954604.db2.gz IIYGVMMBTDKXGY-RYUDHWBXSA-N 2 0 340.428 -1.234 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933616 787955361 /nfs/dbraw/zinc/95/53/61/787955361.db2.gz JUMRDDYJJIDJAZ-RYUDHWBXSA-N 2 0 343.428 -1.401 20 0 EAADRP C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179933983 787955452 /nfs/dbraw/zinc/95/54/52/787955452.db2.gz PWSUQJKJGSKEQV-AVGNSLFASA-N 2 0 340.424 -1.051 20 0 EAADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179933984 787955381 /nfs/dbraw/zinc/95/53/81/787955381.db2.gz PWSUQJKJGSKEQV-RWMBFGLXSA-N 2 0 340.424 -1.051 20 0 EAADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934287 787954657 /nfs/dbraw/zinc/95/46/57/787954657.db2.gz XDGCEHDIYRBSAP-QWRGUYRKSA-N 2 0 329.401 -1.662 20 0 EAADRP C[C@H]([NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179936802 787954470 /nfs/dbraw/zinc/95/44/70/787954470.db2.gz XLYHRELIVTYKMW-SRVKXCTJSA-N 2 0 343.428 -1.273 20 0 EAADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179936807 787954419 /nfs/dbraw/zinc/95/44/19/787954419.db2.gz XLYHRELIVTYKMW-WOPDTQHZSA-N 2 0 343.428 -1.273 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124742 787959172 /nfs/dbraw/zinc/95/91/72/787959172.db2.gz PXPAEOPCDIXIGB-SRVKXCTJSA-N 2 0 325.413 -1.027 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124743 787959007 /nfs/dbraw/zinc/95/90/07/787959007.db2.gz PXPAEOPCDIXIGB-TUAOUCFPSA-N 2 0 325.413 -1.027 20 0 EAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180267985 787963512 /nfs/dbraw/zinc/96/35/12/787963512.db2.gz BPWWXXJYZYPVKQ-UHFFFAOYSA-N 2 0 326.401 -1.424 20 0 EAADRP CC(C)[NH+]1CCN(CC(=O)NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001180351035 787965049 /nfs/dbraw/zinc/96/50/49/787965049.db2.gz MXJXAJYFRLDPNG-UHFFFAOYSA-N 2 0 331.421 -1.323 20 0 EAADRP NC(=O)C1CC[NH+](CCC(=O)NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001180612401 787970002 /nfs/dbraw/zinc/97/00/02/787970002.db2.gz CWXZUYDXOGWCCV-UHFFFAOYSA-N 2 0 345.404 -1.762 20 0 EAADRP CCOC(=O)CN(CC[NH3+])C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180612705 787969382 /nfs/dbraw/zinc/96/93/82/787969382.db2.gz GDVBADILXGLIHU-UHFFFAOYSA-N 2 0 328.413 -1.076 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623196 789690156 /nfs/dbraw/zinc/69/01/56/789690156.db2.gz GFMDRVMNXHFOCL-CHWSQXEVSA-N 2 0 337.424 -1.026 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623197 789690994 /nfs/dbraw/zinc/69/09/94/789690994.db2.gz GFMDRVMNXHFOCL-OLZOCXBDSA-N 2 0 337.424 -1.026 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676341 789693057 /nfs/dbraw/zinc/69/30/57/789693057.db2.gz IJOAGESMJAGJJZ-IJLUTSLNSA-N 2 0 325.413 -1.027 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267785 790323604 /nfs/dbraw/zinc/32/36/04/790323604.db2.gz MZUXJUDKNYWJKV-DGCLKSJQSA-N 2 0 325.413 -1.027 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267786 790322234 /nfs/dbraw/zinc/32/22/34/790322234.db2.gz MZUXJUDKNYWJKV-YPMHNXCESA-N 2 0 325.413 -1.027 20 0 EAADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183728612 790341642 /nfs/dbraw/zinc/34/16/42/790341642.db2.gz LETVODAWSRTLQW-ZDUSSCGKSA-N 2 0 341.456 -1.277 20 0 EAADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001183765050 790343680 /nfs/dbraw/zinc/34/36/80/790343680.db2.gz NFAJQILLTBXWMV-GHMZBOCLSA-N 2 0 334.380 -1.169 20 0 EAADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001183765052 790343172 /nfs/dbraw/zinc/34/31/72/790343172.db2.gz NFAJQILLTBXWMV-WDEREUQCSA-N 2 0 334.380 -1.169 20 0 EAADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001183771822 790343834 /nfs/dbraw/zinc/34/38/34/790343834.db2.gz BGIIEDSOYCWYKI-GHMZBOCLSA-N 2 0 334.380 -1.169 20 0 EAADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001183771824 790342698 /nfs/dbraw/zinc/34/26/98/790342698.db2.gz BGIIEDSOYCWYKI-WDEREUQCSA-N 2 0 334.380 -1.169 20 0 EAADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001183773615 790342610 /nfs/dbraw/zinc/34/26/10/790342610.db2.gz REAKLPMNWWSONW-GHMZBOCLSA-N 2 0 334.380 -1.169 20 0 EAADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001183773616 790342013 /nfs/dbraw/zinc/34/20/13/790342013.db2.gz REAKLPMNWWSONW-WDEREUQCSA-N 2 0 334.380 -1.169 20 0 EAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O ZINC001184100392 790357316 /nfs/dbraw/zinc/35/73/16/790357316.db2.gz BQQOQZISMUULIO-QWRGUYRKSA-N 2 0 340.428 -1.166 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230472 790390182 /nfs/dbraw/zinc/39/01/82/790390182.db2.gz UTMQTZHBTBXVMT-LLVKDONJSA-N 2 0 325.413 -1.026 20 0 EAADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001185248438 790388521 /nfs/dbraw/zinc/38/85/21/790388521.db2.gz FQFNYWVRTBPPFT-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP Cn1c(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc(=O)n(C)c1=O ZINC001185400603 790396008 /nfs/dbraw/zinc/39/60/08/790396008.db2.gz FHOZCJNFMGAHBF-GFCCVEGCSA-N 2 0 337.424 -1.274 20 0 EAADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001185400860 790395932 /nfs/dbraw/zinc/39/59/32/790395932.db2.gz KXPNVTVIKXFLQI-CHWSQXEVSA-N 2 0 341.456 -1.279 20 0 EAADRP C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N(C)C ZINC001185401159 790396833 /nfs/dbraw/zinc/39/68/33/790396833.db2.gz KXPNVTVIKXFLQI-QWHCGFSZSA-N 2 0 341.456 -1.279 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401233 790397372 /nfs/dbraw/zinc/39/73/72/790397372.db2.gz NIBSFKSWNDAXGP-GFCCVEGCSA-N 2 0 325.413 -1.026 20 0 EAADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001185408111 790396609 /nfs/dbraw/zinc/39/66/09/790396609.db2.gz LDZDYLCKVYNDLO-GFCCVEGCSA-N 2 0 325.413 -1.913 20 0 EAADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001185415680 790398747 /nfs/dbraw/zinc/39/87/47/790398747.db2.gz DPTLDNQDSITWOO-CHWSQXEVSA-N 2 0 340.424 -1.362 20 0 EAADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001185415681 790398734 /nfs/dbraw/zinc/39/87/34/790398734.db2.gz DPTLDNQDSITWOO-OLZOCXBDSA-N 2 0 340.424 -1.362 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659718 790402859 /nfs/dbraw/zinc/40/28/59/790402859.db2.gz PDVOUOAFNIPTLU-NWDGAFQWSA-N 2 0 325.413 -1.026 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659719 790403679 /nfs/dbraw/zinc/40/36/79/790403679.db2.gz PDVOUOAFNIPTLU-VXGBXAGGSA-N 2 0 325.413 -1.026 20 0 EAADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001186458583 790436669 /nfs/dbraw/zinc/43/66/69/790436669.db2.gz PUXOURHCRKNGFF-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC(=O)[C@H](CO)NC(C)=O ZINC001186607211 790446488 /nfs/dbraw/zinc/44/64/88/790446488.db2.gz JAZSQHSMKCKHOV-NSHDSACASA-N 2 0 344.416 -2.337 20 0 EAADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001186615483 790441748 /nfs/dbraw/zinc/44/17/48/790441748.db2.gz FTHZSBJMZUAPIL-LLVKDONJSA-N 2 0 341.412 -1.517 20 0 EAADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001186824990 790453928 /nfs/dbraw/zinc/45/39/28/790453928.db2.gz TVXPGRHRJUFSRO-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001187106073 790462658 /nfs/dbraw/zinc/46/26/58/790462658.db2.gz AFYBQYLYCCXFCW-CYBMUJFWSA-N 2 0 340.424 -1.096 20 0 EAADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106503 790462514 /nfs/dbraw/zinc/46/25/14/790462514.db2.gz IOYBTSAMRDXFBE-NWDGAFQWSA-N 2 0 343.428 -1.401 20 0 EAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106504 790461714 /nfs/dbraw/zinc/46/17/14/790461714.db2.gz IOYBTSAMRDXFBE-VXGBXAGGSA-N 2 0 343.428 -1.401 20 0 EAADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001187107035 790461863 /nfs/dbraw/zinc/46/18/63/790461863.db2.gz SWVMODJAYXQMER-GHMZBOCLSA-N 2 0 329.401 -1.662 20 0 EAADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001187107040 790460743 /nfs/dbraw/zinc/46/07/43/790460743.db2.gz SWVMODJAYXQMER-WDEREUQCSA-N 2 0 329.401 -1.662 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187107261 790461800 /nfs/dbraw/zinc/46/18/00/790461800.db2.gz ZGFYVXQBOZFKHT-NWDGAFQWSA-N 2 0 325.413 -1.026 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187107262 790462356 /nfs/dbraw/zinc/46/23/56/790462356.db2.gz ZGFYVXQBOZFKHT-VXGBXAGGSA-N 2 0 325.413 -1.026 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115292 790461493 /nfs/dbraw/zinc/46/14/93/790461493.db2.gz IQLPFNUOSLOPCU-GFCCVEGCSA-N 2 0 343.428 -1.399 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115314 790461392 /nfs/dbraw/zinc/46/13/92/790461392.db2.gz IXANNBWEOYAEOV-LLVKDONJSA-N 2 0 329.401 -1.789 20 0 EAADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115602 790462240 /nfs/dbraw/zinc/46/22/40/790462240.db2.gz OKGVSIPQDGAPHR-CQSZACIVSA-N 2 0 344.456 -1.092 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001187115766 790460771 /nfs/dbraw/zinc/46/07/71/790460771.db2.gz RMSOAJDFPNVFPC-CQSZACIVSA-N 2 0 342.440 -1.386 20 0 EAADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187116003 790461308 /nfs/dbraw/zinc/46/13/08/790461308.db2.gz YLMCYIMUGOERMY-CQSZACIVSA-N 2 0 344.456 -1.092 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001187121041 790464725 /nfs/dbraw/zinc/46/47/25/790464725.db2.gz AAYJROAXXCXQSW-GFCCVEGCSA-N 2 0 341.412 -1.693 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001187121138 790464786 /nfs/dbraw/zinc/46/47/86/790464786.db2.gz DUKKUABTXUFDMA-CYBMUJFWSA-N 2 0 327.429 -1.220 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187121148 790463359 /nfs/dbraw/zinc/46/33/59/790463359.db2.gz FCIPZDWEEDRCEW-GFCCVEGCSA-N 2 0 336.458 -1.696 20 0 EAADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121293 790463922 /nfs/dbraw/zinc/46/39/22/790463922.db2.gz GPPPZRKMZZEVON-GFCCVEGCSA-N 2 0 330.454 -1.178 20 0 EAADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121406 790463955 /nfs/dbraw/zinc/46/39/55/790463955.db2.gz JNYIKVPMRKIVCG-OAHLLOKOSA-N 2 0 344.456 -1.092 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001187121838 790464571 /nfs/dbraw/zinc/46/45/71/790464571.db2.gz NPVYHNLYSJTMMH-NEPJUHHUSA-N 2 0 326.397 -1.440 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001187121840 790464521 /nfs/dbraw/zinc/46/45/21/790464521.db2.gz NPVYHNLYSJTMMH-VXGBXAGGSA-N 2 0 326.397 -1.440 20 0 EAADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121860 790464192 /nfs/dbraw/zinc/46/41/92/790464192.db2.gz OFKUWOKDOFQUNT-CABCVRRESA-N 2 0 347.456 -1.221 20 0 EAADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121867 790464371 /nfs/dbraw/zinc/46/43/71/790464371.db2.gz OFKUWOKDOFQUNT-HUUCEWRRSA-N 2 0 347.456 -1.221 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001187291589 790466035 /nfs/dbraw/zinc/46/60/35/790466035.db2.gz VYWZIFBMMOIKCY-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187526070 790476061 /nfs/dbraw/zinc/47/60/61/790476061.db2.gz MJYQRPUTLQHXPK-JTQLQIEISA-N 2 0 326.401 -1.555 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817311 790488601 /nfs/dbraw/zinc/48/86/01/790488601.db2.gz FANDMFCIIPCSCV-NWDGAFQWSA-N 2 0 325.413 -1.026 20 0 EAADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817312 790489374 /nfs/dbraw/zinc/48/93/74/790489374.db2.gz FANDMFCIIPCSCV-VXGBXAGGSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187851258 790490612 /nfs/dbraw/zinc/49/06/12/790490612.db2.gz NEUXVAGKHNAKQD-NWDGAFQWSA-N 2 0 341.412 -1.660 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187851259 790490738 /nfs/dbraw/zinc/49/07/38/790490738.db2.gz NEUXVAGKHNAKQD-VXGBXAGGSA-N 2 0 341.412 -1.660 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001188146170 790508097 /nfs/dbraw/zinc/50/80/97/790508097.db2.gz XBRPJOVHCXFQEC-CYBMUJFWSA-N 2 0 339.440 -1.525 20 0 EAADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NC(N)=O)C2)O1 ZINC001190900063 790620992 /nfs/dbraw/zinc/62/09/92/790620992.db2.gz NPTGUAMEGGBFKD-GRYCIOLGSA-N 2 0 341.412 -1.567 20 0 EAADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NC(N)=O)C2)O1 ZINC001190900067 790620890 /nfs/dbraw/zinc/62/08/90/790620890.db2.gz NPTGUAMEGGBFKD-IJLUTSLNSA-N 2 0 341.412 -1.567 20 0 EAADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488026 790861141 /nfs/dbraw/zinc/86/11/41/790861141.db2.gz KYGNXYWTSIKGGD-NEPJUHHUSA-N 2 0 343.428 -1.319 20 0 EAADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488027 790860723 /nfs/dbraw/zinc/86/07/23/790860723.db2.gz KYGNXYWTSIKGGD-NWDGAFQWSA-N 2 0 343.428 -1.319 20 0 EAADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488028 790861181 /nfs/dbraw/zinc/86/11/81/790861181.db2.gz KYGNXYWTSIKGGD-RYUDHWBXSA-N 2 0 343.428 -1.319 20 0 EAADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488029 790859308 /nfs/dbraw/zinc/85/93/08/790859308.db2.gz KYGNXYWTSIKGGD-VXGBXAGGSA-N 2 0 343.428 -1.319 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001193489255 790861766 /nfs/dbraw/zinc/86/17/66/790861766.db2.gz VFEOEIHVTGFCGF-CHWSQXEVSA-N 2 0 340.424 -1.098 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001193489256 790862259 /nfs/dbraw/zinc/86/22/59/790862259.db2.gz VFEOEIHVTGFCGF-OLZOCXBDSA-N 2 0 340.424 -1.098 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001193489257 790860485 /nfs/dbraw/zinc/86/04/85/790860485.db2.gz VFEOEIHVTGFCGF-QWHCGFSZSA-N 2 0 340.424 -1.098 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001193489258 790860859 /nfs/dbraw/zinc/86/08/59/790860859.db2.gz VFEOEIHVTGFCGF-STQMWFEESA-N 2 0 340.424 -1.098 20 0 EAADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O)[NH+](C)C ZINC001194095714 790927313 /nfs/dbraw/zinc/92/73/13/790927313.db2.gz MPNRFMJXFSLPDA-RBSFLKMASA-N 2 0 344.456 -1.359 20 0 EAADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102105 790926739 /nfs/dbraw/zinc/92/67/39/790926739.db2.gz BTWPXXZZBYNVDU-BFHYXJOUSA-N 2 0 329.441 -1.113 20 0 EAADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102106 790926992 /nfs/dbraw/zinc/92/69/92/790926992.db2.gz BTWPXXZZBYNVDU-MGPQQGTHSA-N 2 0 329.441 -1.113 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001194103378 790925966 /nfs/dbraw/zinc/92/59/66/790925966.db2.gz ZBLTXXNHTUXGBI-ZIAGYGMSSA-N 2 0 329.441 -1.112 20 0 EAADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001195594682 791020807 /nfs/dbraw/zinc/02/08/07/791020807.db2.gz UCIGAWIEQZQCOG-BTFPBAQTSA-N 2 0 329.441 -1.115 20 0 EAADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001195594684 791020091 /nfs/dbraw/zinc/02/00/91/791020091.db2.gz UCIGAWIEQZQCOG-VQJWOFKYSA-N 2 0 329.441 -1.115 20 0 EAADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859234 791044879 /nfs/dbraw/zinc/04/48/79/791044879.db2.gz HAYVIYODEKNHFC-ZIAGYGMSSA-N 2 0 330.429 -1.748 20 0 EAADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860528 791044988 /nfs/dbraw/zinc/04/49/88/791044988.db2.gz YOBXUPDSWIXLOF-BFHYXJOUSA-N 2 0 333.429 -1.877 20 0 EAADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860529 791044591 /nfs/dbraw/zinc/04/45/91/791044591.db2.gz YOBXUPDSWIXLOF-MGPQQGTHSA-N 2 0 333.429 -1.877 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001195869908 791050996 /nfs/dbraw/zinc/05/09/96/791050996.db2.gz FTLXHVJWOAOLNG-VXGBXAGGSA-N 2 0 341.412 -1.959 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001195869928 791049195 /nfs/dbraw/zinc/04/91/95/791049195.db2.gz GAKOGKKTNBRTIU-BFHYXJOUSA-N 2 0 325.413 -1.643 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001195869931 791050456 /nfs/dbraw/zinc/05/04/56/791050456.db2.gz GAKOGKKTNBRTIU-MGPQQGTHSA-N 2 0 325.413 -1.643 20 0 EAADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001195973191 791052000 /nfs/dbraw/zinc/05/20/00/791052000.db2.gz PZEVICUJZBHJFY-UMVBOHGHSA-N 2 0 326.441 -1.034 20 0 EAADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O)[NH+](C)C ZINC001195981242 791051902 /nfs/dbraw/zinc/05/19/02/791051902.db2.gz QLCOHKHGDNYUDO-MGPQQGTHSA-N 2 0 341.456 -1.241 20 0 EAADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O)[NH+](C)C ZINC001196267971 791076221 /nfs/dbraw/zinc/07/62/21/791076221.db2.gz MPNRFMJXFSLPDA-QLFBSQMISA-N 2 0 344.456 -1.359 20 0 EAADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001196636454 791107087 /nfs/dbraw/zinc/10/70/87/791107087.db2.gz APWDFCVJPBHTJX-HUUCEWRRSA-N 2 0 329.441 -1.112 20 0 EAADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637831 791107617 /nfs/dbraw/zinc/10/76/17/791107617.db2.gz NKCBAAJKESSRFB-RBSFLKMASA-N 2 0 329.441 -1.113 20 0 EAADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637833 791107710 /nfs/dbraw/zinc/10/77/10/791107710.db2.gz NKCBAAJKESSRFB-RRFJBIMHSA-N 2 0 329.441 -1.113 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197048466 791134026 /nfs/dbraw/zinc/13/40/26/791134026.db2.gz BRDANOVYJQCQGJ-RBSFLKMASA-N 2 0 339.440 -1.253 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197048474 791134502 /nfs/dbraw/zinc/13/45/02/791134502.db2.gz BRDANOVYJQCQGJ-RRFJBIMHSA-N 2 0 339.440 -1.253 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001197058654 791133777 /nfs/dbraw/zinc/13/37/77/791133777.db2.gz VTFGTLKCSNLZGT-HUUCEWRRSA-N 2 0 344.456 -1.358 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001197058655 791133649 /nfs/dbraw/zinc/13/36/49/791133649.db2.gz VTHWJFZEFSNTAM-RBSFLKMASA-N 2 0 347.456 -1.487 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001197058656 791134684 /nfs/dbraw/zinc/13/46/84/791134684.db2.gz VTHWJFZEFSNTAM-RRFJBIMHSA-N 2 0 347.456 -1.487 20 0 EAADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)CC1 ZINC001197319482 791147588 /nfs/dbraw/zinc/14/75/88/791147588.db2.gz JOKXVZULRFMKRT-HUUCEWRRSA-N 2 0 345.440 -1.733 20 0 EAADRP CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319494 791148415 /nfs/dbraw/zinc/14/84/15/791148415.db2.gz KBGMSLCXYBEQRD-ZIAGYGMSSA-N 2 0 342.440 -1.653 20 0 EAADRP CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319672 791147630 /nfs/dbraw/zinc/14/76/30/791147630.db2.gz NUXMFXOEGPDPSW-HZSPNIEDSA-N 2 0 342.440 -1.478 20 0 EAADRP CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319673 791148269 /nfs/dbraw/zinc/14/82/69/791148269.db2.gz NUXMFXOEGPDPSW-MGPQQGTHSA-N 2 0 342.440 -1.478 20 0 EAADRP CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320390 791147883 /nfs/dbraw/zinc/14/78/83/791147883.db2.gz YYASDFAIABNGKS-IACUBPJLSA-N 2 0 342.440 -1.607 20 0 EAADRP CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320393 791148740 /nfs/dbraw/zinc/14/87/40/791148740.db2.gz YYASDFAIABNGKS-MRVWCRGKSA-N 2 0 342.440 -1.607 20 0 EAADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197320439 791148178 /nfs/dbraw/zinc/14/81/78/791148178.db2.gz ZSBJLVYCKFYCNE-HZSPNIEDSA-N 2 0 340.424 -1.853 20 0 EAADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001197320440 791147777 /nfs/dbraw/zinc/14/77/77/791147777.db2.gz ZSBJLVYCKFYCNE-MGPQQGTHSA-N 2 0 340.424 -1.853 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197493256 791162858 /nfs/dbraw/zinc/16/28/58/791162858.db2.gz HVRAKBVBNQCXGP-RBSFLKMASA-N 2 0 339.440 -1.253 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197493259 791164059 /nfs/dbraw/zinc/16/40/59/791164059.db2.gz HVRAKBVBNQCXGP-RRFJBIMHSA-N 2 0 339.440 -1.253 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001197536256 791162780 /nfs/dbraw/zinc/16/27/80/791162780.db2.gz QKOVLKUKOZHSAZ-RBSFLKMASA-N 2 0 347.456 -1.487 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1O ZINC001197536257 791163722 /nfs/dbraw/zinc/16/37/22/791163722.db2.gz QKOVLKUKOZHSAZ-RRFJBIMHSA-N 2 0 347.456 -1.487 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1O ZINC001197536666 791162711 /nfs/dbraw/zinc/16/27/11/791162711.db2.gz ZABQSGAOJDVBHF-HUUCEWRRSA-N 2 0 344.456 -1.358 20 0 EAADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001197825434 791181674 /nfs/dbraw/zinc/18/16/74/791181674.db2.gz DGSVNAOUBQERNZ-HUUCEWRRSA-N 2 0 339.440 -1.298 20 0 EAADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825438 791181178 /nfs/dbraw/zinc/18/11/78/791181178.db2.gz DMXHNCJKPHHNMU-HUUCEWRRSA-N 2 0 339.440 -1.298 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1O ZINC001198028552 791192650 /nfs/dbraw/zinc/19/26/50/791192650.db2.gz CXRPAMIZPUXMCW-HUUCEWRRSA-N 2 0 344.456 -1.358 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001198029135 791191729 /nfs/dbraw/zinc/19/17/29/791191729.db2.gz NNJMDPVNAIOLGP-RBSFLKMASA-N 2 0 347.456 -1.487 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1O ZINC001198029136 791193032 /nfs/dbraw/zinc/19/30/32/791193032.db2.gz NNJMDPVNAIOLGP-RRFJBIMHSA-N 2 0 347.456 -1.487 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001198046401 791190365 /nfs/dbraw/zinc/19/03/65/791190365.db2.gz CIQUFHYEJVSSSQ-RBSFLKMASA-N 2 0 339.440 -1.253 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001198046408 791190812 /nfs/dbraw/zinc/19/08/12/791190812.db2.gz CIQUFHYEJVSSSQ-RRFJBIMHSA-N 2 0 339.440 -1.253 20 0 EAADRP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198652884 791224034 /nfs/dbraw/zinc/22/40/34/791224034.db2.gz DKGDSFQWRJPRGK-RBSFLKMASA-N 2 0 342.440 -1.748 20 0 EAADRP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198652886 791223394 /nfs/dbraw/zinc/22/33/94/791223394.db2.gz DKGDSFQWRJPRGK-RRFJBIMHSA-N 2 0 342.440 -1.748 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001199103943 791255473 /nfs/dbraw/zinc/25/54/73/791255473.db2.gz FGDCMYMDDFYZFM-RBSFLKMASA-N 2 0 339.440 -1.255 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001199103944 791256031 /nfs/dbraw/zinc/25/60/31/791256031.db2.gz FGDCMYMDDFYZFM-RRFJBIMHSA-N 2 0 339.440 -1.255 20 0 EAADRP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111582 791257124 /nfs/dbraw/zinc/25/71/24/791257124.db2.gz BTVOMYPDMAHUQP-HUUCEWRRSA-N 2 0 344.456 -1.359 20 0 EAADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111823 791257684 /nfs/dbraw/zinc/25/76/84/791257684.db2.gz OAAYLXHDQOYZRJ-RBSFLKMASA-N 2 0 347.456 -1.488 20 0 EAADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111824 791257327 /nfs/dbraw/zinc/25/73/27/791257327.db2.gz OAAYLXHDQOYZRJ-RRFJBIMHSA-N 2 0 347.456 -1.488 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200122875 791304481 /nfs/dbraw/zinc/30/44/81/791304481.db2.gz JIAGPIYQOSPYMS-NEPJUHHUSA-N 2 0 341.412 -1.517 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200122876 791304323 /nfs/dbraw/zinc/30/43/23/791304323.db2.gz JIAGPIYQOSPYMS-NWDGAFQWSA-N 2 0 341.412 -1.517 20 0 EAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200122879 791303873 /nfs/dbraw/zinc/30/38/73/791303873.db2.gz JIAGPIYQOSPYMS-RYUDHWBXSA-N 2 0 341.412 -1.517 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200122881 791304091 /nfs/dbraw/zinc/30/40/91/791304091.db2.gz JIAGPIYQOSPYMS-VXGBXAGGSA-N 2 0 341.412 -1.517 20 0 EAADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 ZINC001200180651 791307906 /nfs/dbraw/zinc/30/79/06/791307906.db2.gz ARXVQGWKXNVHOB-KBPBESRZSA-N 2 0 342.440 -1.388 20 0 EAADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 ZINC001200180653 791306796 /nfs/dbraw/zinc/30/67/96/791306796.db2.gz ARXVQGWKXNVHOB-KGLIPLIRSA-N 2 0 342.440 -1.388 20 0 EAADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 ZINC001200180654 791307602 /nfs/dbraw/zinc/30/76/02/791307602.db2.gz ARXVQGWKXNVHOB-UONOGXRCSA-N 2 0 342.440 -1.388 20 0 EAADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 ZINC001200180656 791306884 /nfs/dbraw/zinc/30/68/84/791306884.db2.gz ARXVQGWKXNVHOB-ZIAGYGMSSA-N 2 0 342.440 -1.388 20 0 EAADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 ZINC001200180670 791307760 /nfs/dbraw/zinc/30/77/60/791307760.db2.gz BEOBGIVNOUIUDT-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 ZINC001200180671 791306952 /nfs/dbraw/zinc/30/69/52/791306952.db2.gz BEOBGIVNOUIUDT-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 ZINC001200180672 791306990 /nfs/dbraw/zinc/30/69/90/791306990.db2.gz BEOBGIVNOUIUDT-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 ZINC001200180673 791306760 /nfs/dbraw/zinc/30/67/60/791306760.db2.gz BEOBGIVNOUIUDT-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP CN1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181437 791307484 /nfs/dbraw/zinc/30/74/84/791307484.db2.gz IMCDLHDKSWMIBK-CABCVRRESA-N 2 0 345.440 -1.467 20 0 EAADRP CN1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181440 791307500 /nfs/dbraw/zinc/30/75/00/791307500.db2.gz IMCDLHDKSWMIBK-GJZGRUSLSA-N 2 0 345.440 -1.467 20 0 EAADRP CN1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181443 791306692 /nfs/dbraw/zinc/30/66/92/791306692.db2.gz IMCDLHDKSWMIBK-HUUCEWRRSA-N 2 0 345.440 -1.467 20 0 EAADRP CN1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181444 791307735 /nfs/dbraw/zinc/30/77/35/791307735.db2.gz IMCDLHDKSWMIBK-LSDHHAIUSA-N 2 0 345.440 -1.467 20 0 EAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 ZINC001200182742 791308031 /nfs/dbraw/zinc/30/80/31/791308031.db2.gz TVVGQXPHLYHUIQ-CHWSQXEVSA-N 2 0 328.413 -1.730 20 0 EAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 ZINC001200182743 791307928 /nfs/dbraw/zinc/30/79/28/791307928.db2.gz TVVGQXPHLYHUIQ-OLZOCXBDSA-N 2 0 328.413 -1.730 20 0 EAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 ZINC001200182744 791307808 /nfs/dbraw/zinc/30/78/08/791307808.db2.gz TVVGQXPHLYHUIQ-QWHCGFSZSA-N 2 0 328.413 -1.730 20 0 EAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 ZINC001200182745 791306817 /nfs/dbraw/zinc/30/68/17/791306817.db2.gz TVVGQXPHLYHUIQ-STQMWFEESA-N 2 0 328.413 -1.730 20 0 EAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 ZINC001200787141 791338870 /nfs/dbraw/zinc/33/88/70/791338870.db2.gz NHMUOXLSILTKHT-HZSPNIEDSA-N 2 0 342.440 -1.341 20 0 EAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 ZINC001200787142 791339675 /nfs/dbraw/zinc/33/96/75/791339675.db2.gz NHMUOXLSILTKHT-MGPQQGTHSA-N 2 0 342.440 -1.341 20 0 EAADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)O1 ZINC001200788105 791339226 /nfs/dbraw/zinc/33/92/26/791339226.db2.gz XMMOKEUGQVPPLD-FRRDWIJNSA-N 2 0 328.413 -1.602 20 0 EAADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)O1 ZINC001200788136 791338947 /nfs/dbraw/zinc/33/89/47/791338947.db2.gz XMMOKEUGQVPPLD-JHJVBQTASA-N 2 0 328.413 -1.602 20 0 EAADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001200796400 791338602 /nfs/dbraw/zinc/33/86/02/791338602.db2.gz XJFUWTPLIIPVFG-NWDGAFQWSA-N 2 0 343.428 -1.271 20 0 EAADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001200796401 791338983 /nfs/dbraw/zinc/33/89/83/791338983.db2.gz XJFUWTPLIIPVFG-VXGBXAGGSA-N 2 0 343.428 -1.271 20 0 EAADRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201275838 791362171 /nfs/dbraw/zinc/36/21/71/791362171.db2.gz CCMGMRRKFMQJTA-GFCCVEGCSA-N 2 0 343.428 -1.270 20 0 EAADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201275839 791362212 /nfs/dbraw/zinc/36/22/12/791362212.db2.gz CCMGMRRKFMQJTA-LBPRGKRZSA-N 2 0 343.428 -1.270 20 0 EAADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC(N)=O ZINC001201319789 791364569 /nfs/dbraw/zinc/36/45/69/791364569.db2.gz UKKZPQRYHYZYKF-NEPJUHHUSA-N 2 0 343.428 -1.271 20 0 EAADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC(N)=O ZINC001201319790 791365308 /nfs/dbraw/zinc/36/53/08/791365308.db2.gz UKKZPQRYHYZYKF-NWDGAFQWSA-N 2 0 343.428 -1.271 20 0 EAADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC(N)=O ZINC001201319791 791364839 /nfs/dbraw/zinc/36/48/39/791364839.db2.gz UKKZPQRYHYZYKF-RYUDHWBXSA-N 2 0 343.428 -1.271 20 0 EAADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC(N)=O ZINC001201319792 791365140 /nfs/dbraw/zinc/36/51/40/791365140.db2.gz UKKZPQRYHYZYKF-VXGBXAGGSA-N 2 0 343.428 -1.271 20 0 EAADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001201334464 791366047 /nfs/dbraw/zinc/36/60/47/791366047.db2.gz IKBYQWHRFHUQRH-CHWSQXEVSA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001201334465 791366693 /nfs/dbraw/zinc/36/66/93/791366693.db2.gz IKBYQWHRFHUQRH-OLZOCXBDSA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001201334466 791366775 /nfs/dbraw/zinc/36/67/75/791366775.db2.gz IKBYQWHRFHUQRH-QWHCGFSZSA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001201334467 791366894 /nfs/dbraw/zinc/36/68/94/791366894.db2.gz IKBYQWHRFHUQRH-STQMWFEESA-N 2 0 340.424 -1.050 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336183 791366459 /nfs/dbraw/zinc/36/64/59/791366459.db2.gz SNGZIHRYYLDRHO-GFCCVEGCSA-N 2 0 343.428 -1.399 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336186 791366507 /nfs/dbraw/zinc/36/65/07/791366507.db2.gz SNGZIHRYYLDRHO-LBPRGKRZSA-N 2 0 343.428 -1.399 20 0 EAADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201336640 791367758 /nfs/dbraw/zinc/36/77/58/791367758.db2.gz XFVVABJBMDZBCZ-LLVKDONJSA-N 2 0 329.401 -1.660 20 0 EAADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201336641 791367624 /nfs/dbraw/zinc/36/76/24/791367624.db2.gz XFVVABJBMDZBCZ-NSHDSACASA-N 2 0 329.401 -1.660 20 0 EAADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001201412221 791369449 /nfs/dbraw/zinc/36/94/49/791369449.db2.gz XJFUWTPLIIPVFG-NEPJUHHUSA-N 2 0 343.428 -1.271 20 0 EAADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001201412223 791369904 /nfs/dbraw/zinc/36/99/04/791369904.db2.gz XJFUWTPLIIPVFG-RYUDHWBXSA-N 2 0 343.428 -1.271 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201677459 791378227 /nfs/dbraw/zinc/37/82/27/791378227.db2.gz CEBBXTRHWFKPMP-GFCCVEGCSA-N 2 0 343.428 -1.270 20 0 EAADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201677460 791377919 /nfs/dbraw/zinc/37/79/19/791377919.db2.gz CEBBXTRHWFKPMP-LBPRGKRZSA-N 2 0 343.428 -1.270 20 0 EAADRP C[NH+]1CCC(OCC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001201727391 791381770 /nfs/dbraw/zinc/38/17/70/791381770.db2.gz WUCKOXPSAXWZFG-AWEZNQCLSA-N 2 0 342.440 -1.210 20 0 EAADRP C[NH+]1CCC(OCC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001201727393 791380872 /nfs/dbraw/zinc/38/08/72/791380872.db2.gz WUCKOXPSAXWZFG-CQSZACIVSA-N 2 0 342.440 -1.210 20 0 EAADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201809032 791383857 /nfs/dbraw/zinc/38/38/57/791383857.db2.gz JIYTWFXXXUVEMH-GFCCVEGCSA-N 2 0 343.428 -1.270 20 0 EAADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201809034 791383388 /nfs/dbraw/zinc/38/33/88/791383388.db2.gz JIYTWFXXXUVEMH-LBPRGKRZSA-N 2 0 343.428 -1.270 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201862447 791385000 /nfs/dbraw/zinc/38/50/00/791385000.db2.gz BEPFVHVAGQDHCM-HNNXBMFYSA-N 2 0 347.456 -1.219 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201862448 791385884 /nfs/dbraw/zinc/38/58/84/791385884.db2.gz BEPFVHVAGQDHCM-OAHLLOKOSA-N 2 0 347.456 -1.219 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201862537 791385231 /nfs/dbraw/zinc/38/52/31/791385231.db2.gz DRPMCVCNMFJKQK-KBPBESRZSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201862539 791385870 /nfs/dbraw/zinc/38/58/70/791385870.db2.gz DRPMCVCNMFJKQK-KGLIPLIRSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201862540 791385355 /nfs/dbraw/zinc/38/53/55/791385355.db2.gz DRPMCVCNMFJKQK-UONOGXRCSA-N 2 0 342.440 -1.340 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201862541 791384810 /nfs/dbraw/zinc/38/48/10/791384810.db2.gz DRPMCVCNMFJKQK-ZIAGYGMSSA-N 2 0 342.440 -1.340 20 0 EAADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201862546 791384557 /nfs/dbraw/zinc/38/45/57/791384557.db2.gz DUMHZMOQURDAHI-CHWSQXEVSA-N 2 0 330.429 -1.355 20 0 EAADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201862547 791385703 /nfs/dbraw/zinc/38/57/03/791385703.db2.gz DUMHZMOQURDAHI-OLZOCXBDSA-N 2 0 330.429 -1.355 20 0 EAADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201862548 791385047 /nfs/dbraw/zinc/38/50/47/791385047.db2.gz DUMHZMOQURDAHI-QWHCGFSZSA-N 2 0 330.429 -1.355 20 0 EAADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201862549 791384702 /nfs/dbraw/zinc/38/47/02/791384702.db2.gz DUMHZMOQURDAHI-STQMWFEESA-N 2 0 330.429 -1.355 20 0 EAADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862844 791384953 /nfs/dbraw/zinc/38/49/53/791384953.db2.gz GSQLHHHISYKVDB-CABCVRRESA-N 2 0 347.456 -1.221 20 0 EAADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862850 791385045 /nfs/dbraw/zinc/38/50/45/791385045.db2.gz GSQLHHHISYKVDB-GJZGRUSLSA-N 2 0 347.456 -1.221 20 0 EAADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862851 791384480 /nfs/dbraw/zinc/38/44/80/791384480.db2.gz GSQLHHHISYKVDB-HUUCEWRRSA-N 2 0 347.456 -1.221 20 0 EAADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862852 791384360 /nfs/dbraw/zinc/38/43/60/791384360.db2.gz GSQLHHHISYKVDB-LSDHHAIUSA-N 2 0 347.456 -1.221 20 0 EAADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863396 791384968 /nfs/dbraw/zinc/38/49/68/791384968.db2.gz MIIMDZGPFXBADA-AWEZNQCLSA-N 2 0 344.456 -1.092 20 0 EAADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863397 791385254 /nfs/dbraw/zinc/38/52/54/791385254.db2.gz MIIMDZGPFXBADA-CQSZACIVSA-N 2 0 344.456 -1.092 20 0 EAADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863768 791384750 /nfs/dbraw/zinc/38/47/50/791384750.db2.gz PJXNFMDBSJCRKA-AWEZNQCLSA-N 2 0 344.456 -1.140 20 0 EAADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863772 791385127 /nfs/dbraw/zinc/38/51/27/791385127.db2.gz PJXNFMDBSJCRKA-CQSZACIVSA-N 2 0 344.456 -1.140 20 0 EAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864043 791385604 /nfs/dbraw/zinc/38/56/04/791385604.db2.gz SFQRVUJTKRDJRJ-CYBMUJFWSA-N 2 0 330.429 -1.482 20 0 EAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864044 791384447 /nfs/dbraw/zinc/38/44/47/791384447.db2.gz SFQRVUJTKRDJRJ-ZDUSSCGKSA-N 2 0 330.429 -1.482 20 0 EAADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864390 791385850 /nfs/dbraw/zinc/38/58/50/791385850.db2.gz WHQZPJLQYXDIFV-KBPBESRZSA-N 2 0 344.456 -1.094 20 0 EAADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864391 791385272 /nfs/dbraw/zinc/38/52/72/791385272.db2.gz WHQZPJLQYXDIFV-KGLIPLIRSA-N 2 0 344.456 -1.094 20 0 EAADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864392 791385658 /nfs/dbraw/zinc/38/56/58/791385658.db2.gz WHQZPJLQYXDIFV-UONOGXRCSA-N 2 0 344.456 -1.094 20 0 EAADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864393 791385540 /nfs/dbraw/zinc/38/55/40/791385540.db2.gz WHQZPJLQYXDIFV-ZIAGYGMSSA-N 2 0 344.456 -1.094 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201931664 791389932 /nfs/dbraw/zinc/38/99/32/791389932.db2.gz NSKUXPTYMITJFR-GFCCVEGCSA-N 2 0 343.428 -1.270 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201931665 791389882 /nfs/dbraw/zinc/38/98/82/791389882.db2.gz NSKUXPTYMITJFR-LBPRGKRZSA-N 2 0 343.428 -1.270 20 0 EAADRP NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050200 791394929 /nfs/dbraw/zinc/39/49/29/791394929.db2.gz TZWPKKZKGSBYOP-GFCCVEGCSA-N 2 0 341.412 -1.516 20 0 EAADRP NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050201 791395747 /nfs/dbraw/zinc/39/57/47/791395747.db2.gz TZWPKKZKGSBYOP-LBPRGKRZSA-N 2 0 341.412 -1.516 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001202057768 791397015 /nfs/dbraw/zinc/39/70/15/791397015.db2.gz HIMUXDICRMLPPM-NEPJUHHUSA-N 2 0 341.412 -1.660 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001202057769 791396621 /nfs/dbraw/zinc/39/66/21/791396621.db2.gz HIMUXDICRMLPPM-NWDGAFQWSA-N 2 0 341.412 -1.660 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001202057770 791397204 /nfs/dbraw/zinc/39/72/04/791397204.db2.gz HIMUXDICRMLPPM-RYUDHWBXSA-N 2 0 341.412 -1.660 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001202057771 791396472 /nfs/dbraw/zinc/39/64/72/791396472.db2.gz HIMUXDICRMLPPM-VXGBXAGGSA-N 2 0 341.412 -1.660 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202066713 791397461 /nfs/dbraw/zinc/39/74/61/791397461.db2.gz ABGRPWFPJMVBGY-KBPBESRZSA-N 2 0 342.440 -1.353 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202066718 791396399 /nfs/dbraw/zinc/39/63/99/791396399.db2.gz ABGRPWFPJMVBGY-KGLIPLIRSA-N 2 0 342.440 -1.353 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202066721 791397280 /nfs/dbraw/zinc/39/72/80/791397280.db2.gz ABGRPWFPJMVBGY-UONOGXRCSA-N 2 0 342.440 -1.353 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202066723 791397588 /nfs/dbraw/zinc/39/75/88/791397588.db2.gz ABGRPWFPJMVBGY-ZIAGYGMSSA-N 2 0 342.440 -1.353 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202165562 791401548 /nfs/dbraw/zinc/40/15/48/791401548.db2.gz RQSRITJJUWOVHL-GFCCVEGCSA-N 2 0 343.428 -1.271 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202165563 791401733 /nfs/dbraw/zinc/40/17/33/791401733.db2.gz RQSRITJJUWOVHL-LBPRGKRZSA-N 2 0 343.428 -1.271 20 0 EAADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001202315857 791407702 /nfs/dbraw/zinc/40/77/02/791407702.db2.gz GYNRKBNAUACIAV-UHFFFAOYSA-N 2 0 339.440 -1.523 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202502634 791418129 /nfs/dbraw/zinc/41/81/29/791418129.db2.gz GGSDBSZWUMEPPY-CMPLNLGQSA-N 2 0 325.413 -1.040 20 0 EAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202502639 791418483 /nfs/dbraw/zinc/41/84/83/791418483.db2.gz GGSDBSZWUMEPPY-JQWIXIFHSA-N 2 0 325.413 -1.040 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202502641 791418122 /nfs/dbraw/zinc/41/81/22/791418122.db2.gz GGSDBSZWUMEPPY-PWSUYJOCSA-N 2 0 325.413 -1.040 20 0 EAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202502643 791418496 /nfs/dbraw/zinc/41/84/96/791418496.db2.gz GGSDBSZWUMEPPY-ZYHUDNBSSA-N 2 0 325.413 -1.040 20 0 EAADRP C[C@@H]([NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001203330631 786493219 /nfs/dbraw/zinc/49/32/19/786493219.db2.gz MTAUQRRRQRCUPF-LLVKDONJSA-N 2 0 343.428 -1.271 20 0 EAADRP C[C@H]([NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001203330632 786493921 /nfs/dbraw/zinc/49/39/21/786493921.db2.gz MTAUQRRRQRCUPF-NSHDSACASA-N 2 0 343.428 -1.271 20 0 EAADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349073 787825356 /nfs/dbraw/zinc/82/53/56/787825356.db2.gz GDZQNBJCKAGFFU-UHFFFAOYSA-N 2 0 325.417 -1.131 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203349397 787827002 /nfs/dbraw/zinc/82/70/02/787827002.db2.gz MVKCWFOJJWHAGA-UHFFFAOYSA-N 2 0 329.401 -1.660 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349508 787826721 /nfs/dbraw/zinc/82/67/21/787826721.db2.gz RDLVODOIFLAYOH-UHFFFAOYSA-N 2 0 343.428 -1.399 20 0 EAADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)nc1=O ZINC001203349619 787826778 /nfs/dbraw/zinc/82/67/78/787826778.db2.gz SHIJREILKRCGQE-UHFFFAOYSA-N 2 0 340.428 -1.233 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001203349692 787826454 /nfs/dbraw/zinc/82/64/54/787826454.db2.gz XQKRBAIDJXGFBN-CYBMUJFWSA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001203349693 787826394 /nfs/dbraw/zinc/82/63/94/787826394.db2.gz XQKRBAIDJXGFBN-ZDUSSCGKSA-N 2 0 340.424 -1.050 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699747 793694940 /nfs/dbraw/zinc/69/49/40/793694940.db2.gz RKBJLOYRLSWSJF-LLVKDONJSA-N 2 0 325.413 -1.026 20 0 EAADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699748 793695059 /nfs/dbraw/zinc/69/50/59/793695059.db2.gz RKBJLOYRLSWSJF-NSHDSACASA-N 2 0 325.413 -1.026 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206872952 793725752 /nfs/dbraw/zinc/72/57/52/793725752.db2.gz ZOGIIYROVNOMOD-UHFFFAOYSA-N 2 0 343.428 -1.412 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206928711 793730811 /nfs/dbraw/zinc/73/08/11/793730811.db2.gz GFTLKNUJOAIQPQ-GFCCVEGCSA-N 2 0 325.413 -1.039 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206928712 793730032 /nfs/dbraw/zinc/73/00/32/793730032.db2.gz GFTLKNUJOAIQPQ-LBPRGKRZSA-N 2 0 325.413 -1.039 20 0 EAADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496479 793794966 /nfs/dbraw/zinc/79/49/66/793794966.db2.gz VKEINXXDVXSFOX-VXGBXAGGSA-N 2 0 325.413 -1.074 20 0 EAADRP CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001209420225 793818293 /nfs/dbraw/zinc/81/82/93/793818293.db2.gz STLPNNYGWNMVTL-AAEUAGOBSA-N 2 0 336.396 -1.477 20 0 EAADRP CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001209420226 793818135 /nfs/dbraw/zinc/81/81/35/793818135.db2.gz STLPNNYGWNMVTL-YPMHNXCESA-N 2 0 336.396 -1.477 20 0 EAADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001209443813 793818456 /nfs/dbraw/zinc/81/84/56/793818456.db2.gz BOZRRGUUECTESB-CYBMUJFWSA-N 2 0 339.440 -1.523 20 0 EAADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001209443815 793818046 /nfs/dbraw/zinc/81/80/46/793818046.db2.gz BOZRRGUUECTESB-ZDUSSCGKSA-N 2 0 339.440 -1.523 20 0 EAADRP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)nc1=O ZINC001210676197 793845011 /nfs/dbraw/zinc/84/50/11/793845011.db2.gz DOBMEEOPPVMIBF-GFCCVEGCSA-N 2 0 340.428 -1.233 20 0 EAADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)nc1=O ZINC001210676198 793844952 /nfs/dbraw/zinc/84/49/52/793844952.db2.gz DOBMEEOPPVMIBF-LBPRGKRZSA-N 2 0 340.428 -1.233 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001210683802 793847883 /nfs/dbraw/zinc/84/78/83/793847883.db2.gz BORNAIXTHYGIOH-CHWSQXEVSA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001210683805 793848200 /nfs/dbraw/zinc/84/82/00/793848200.db2.gz BORNAIXTHYGIOH-OLZOCXBDSA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001210683806 793847583 /nfs/dbraw/zinc/84/75/83/793847583.db2.gz BORNAIXTHYGIOH-QWHCGFSZSA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001210683807 793847510 /nfs/dbraw/zinc/84/75/10/793847510.db2.gz BORNAIXTHYGIOH-STQMWFEESA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210684867 793846055 /nfs/dbraw/zinc/84/60/55/793846055.db2.gz JTWVACCGMFEAHP-LLVKDONJSA-N 2 0 329.401 -1.660 20 0 EAADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210684868 793847205 /nfs/dbraw/zinc/84/72/05/793847205.db2.gz JTWVACCGMFEAHP-NSHDSACASA-N 2 0 329.401 -1.660 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685066 793847928 /nfs/dbraw/zinc/84/79/28/793847928.db2.gz MDHXCLLOLNJEDC-GFCCVEGCSA-N 2 0 343.428 -1.399 20 0 EAADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685067 793847462 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CN1CCN(c2cc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)ncn2)CC1 ZINC001218571946 794015224 /nfs/dbraw/zinc/01/52/24/794015224.db2.gz CXFPTXKWIKKQHB-GFCCVEGCSA-N 2 0 331.424 -1.024 20 0 EAADRP CN1CCN(c2cc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)ncn2)CC1 ZINC001218571948 794014428 /nfs/dbraw/zinc/01/44/28/794014428.db2.gz CXFPTXKWIKKQHB-LBPRGKRZSA-N 2 0 331.424 -1.024 20 0 EAADRP CN1CCN(c2ncc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cn2)CC1 ZINC001218580988 794014264 /nfs/dbraw/zinc/01/42/64/794014264.db2.gz ZUWBZIZSRPVHJH-CYBMUJFWSA-N 2 0 331.424 -1.024 20 0 EAADRP CN1CCN(c2ncc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cn2)CC1 ZINC001218580989 794015099 /nfs/dbraw/zinc/01/50/99/794015099.db2.gz ZUWBZIZSRPVHJH-ZDUSSCGKSA-N 2 0 331.424 -1.024 20 0 EAADRP Nc1c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c(=O)c1=O ZINC001218586950 794015254 /nfs/dbraw/zinc/01/52/54/794015254.db2.gz HYKGWNBCFBOSSC-IUCAKERBSA-N 2 0 337.380 -1.749 20 0 EAADRP Nc1cn(C(=O)[C@H]2C[NH2+]C[C@@H]2N)ccc1=[NH+]CCN1CCOCC1 ZINC001218619395 794017115 /nfs/dbraw/zinc/01/71/15/794017115.db2.gz GVIVGXZRLUFEDR-STQMWFEESA-N 2 0 334.424 -1.510 20 0 EAADRP Nc1cn(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619438 794016075 /nfs/dbraw/zinc/01/60/75/794016075.db2.gz HOIYIPQKCAHKJZ-IUODEOHRSA-N 2 0 335.408 -1.334 20 0 EAADRP Nc1cn(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619439 794016536 /nfs/dbraw/zinc/01/65/36/794016536.db2.gz HOIYIPQKCAHKJZ-WFASDCNBSA-N 2 0 335.408 -1.334 20 0 EAADRP Nc1cn(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)ccc1=[NH+]CCN1CCOCC1 ZINC001218619727 794017392 /nfs/dbraw/zinc/01/73/92/794017392.db2.gz JUDVDZPIQZEIIC-DOMZBBRYSA-N 2 0 335.408 -1.476 20 0 EAADRP Nc1cn(C(=O)[C@@H]2C[NH2+]C[C@H]2O)ccc1=[NH+]CCN1CCOCC1 ZINC001218619738 794017148 /nfs/dbraw/zinc/01/71/48/794017148.db2.gz JUDVDZPIQZEIIC-IUODEOHRSA-N 2 0 335.408 -1.476 20 0 EAADRP Nc1cn(C(=O)[C@H]2C[NH2+]C[C@H]2O)ccc1=[NH+]CCN1CCOCC1 ZINC001218619740 794016243 /nfs/dbraw/zinc/01/62/43/794016243.db2.gz JUDVDZPIQZEIIC-SWLSCSKDSA-N 2 0 335.408 -1.476 20 0 EAADRP Nc1cn(C(=O)[C@H]2C[NH2+]C[C@@H]2O)ccc1=[NH+]CCN1CCOCC1 ZINC001218619742 794017386 /nfs/dbraw/zinc/01/73/86/794017386.db2.gz JUDVDZPIQZEIIC-WFASDCNBSA-N 2 0 335.408 -1.476 20 0 EAADRP Nc1cn(C(=O)CN2CC[NH2+]CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620357 794016350 /nfs/dbraw/zinc/01/63/50/794016350.db2.gz PWICIEXDFQNLKH-UHFFFAOYSA-N 2 0 348.451 -1.151 20 0 EAADRP Nc1cn(C(=O)[C@@H]2C[NH2+]CCN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620771 794016096 /nfs/dbraw/zinc/01/60/96/794016096.db2.gz QYVBUGYQIIFKAE-HNNXBMFYSA-N 2 0 334.424 -1.495 20 0 EAADRP Nc1cn(C(=O)[C@H]2[NH2+]CC[C@H]2O)ccc1=[NH+]CCN1CCOCC1 ZINC001218620780 794018395 /nfs/dbraw/zinc/01/83/95/794018395.db2.gz QYYVEUVKFMNCRE-CABCVRRESA-N 2 0 335.408 -1.334 20 0 EAADRP Nc1cn(C(=O)[C@H]2[NH2+]CC[C@@H]2O)ccc1=[NH+]CCN1CCOCC1 ZINC001218620783 794019446 /nfs/dbraw/zinc/01/94/46/794019446.db2.gz QYYVEUVKFMNCRE-GJZGRUSLSA-N 2 0 335.408 -1.334 20 0 EAADRP Nc1cn(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620933 794017911 /nfs/dbraw/zinc/01/79/11/794017911.db2.gz SMVTVMZVDRGJHU-DOMZBBRYSA-N 2 0 334.424 -1.367 20 0 EAADRP Nc1cn(C(=O)[C@@H]2C[C@H]([NH3+])CN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620934 794019030 /nfs/dbraw/zinc/01/90/30/794019030.db2.gz SMVTVMZVDRGJHU-WFASDCNBSA-N 2 0 334.424 -1.367 20 0 EAADRP Nc1cn(C(=O)[C@]2(N)CC[NH2+]C2)ccc1=[NH+]CCN1CCOCC1 ZINC001218621408 794017976 /nfs/dbraw/zinc/01/79/76/794017976.db2.gz UEIRHANGGTVXET-INIZCTEOSA-N 2 0 334.424 -1.366 20 0 EAADRP Nc1cn(C(=O)[C@@]2(N)CC[NH2+]C2)ccc1=[NH+]CCN1CCOCC1 ZINC001218621409 794017661 /nfs/dbraw/zinc/01/76/61/794017661.db2.gz UEIRHANGGTVXET-MRXNPFEDSA-N 2 0 334.424 -1.366 20 0 EAADRP CSc1[nH]nc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1C(N)=O ZINC001218637984 794018009 /nfs/dbraw/zinc/01/80/09/794018009.db2.gz IMYMUUBMFCUIIT-MRVPVSSYSA-N 2 0 341.441 -1.081 20 0 EAADRP CSc1[nH]nc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1C(N)=O ZINC001218637993 794018402 /nfs/dbraw/zinc/01/84/02/794018402.db2.gz IMYMUUBMFCUIIT-QMMMGPOBSA-N 2 0 341.441 -1.081 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1cnn(C2C[NH2+]C2)c1)C(N)=O ZINC001218639698 794018523 /nfs/dbraw/zinc/01/85/23/794018523.db2.gz AUKGSDKPQSZQRX-GZMMTYOYSA-N 2 0 337.384 -1.937 20 0 EAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218641554 794017590 /nfs/dbraw/zinc/01/75/90/794017590.db2.gz TYNWJLCGHMUMJF-LLVKDONJSA-N 2 0 325.394 -1.257 20 0 EAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218641561 794018650 /nfs/dbraw/zinc/01/86/50/794018650.db2.gz TYNWJLCGHMUMJF-NSHDSACASA-N 2 0 325.394 -1.257 20 0 EAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218641751 794018856 /nfs/dbraw/zinc/01/88/56/794018856.db2.gz ZRIQRIBEZRAXQI-GFCCVEGCSA-N 2 0 343.395 -1.096 20 0 EAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218641752 794018846 /nfs/dbraw/zinc/01/88/46/794018846.db2.gz ZRIQRIBEZRAXQI-LBPRGKRZSA-N 2 0 343.395 -1.096 20 0 EAADRP O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218668824 794017847 /nfs/dbraw/zinc/01/78/47/794017847.db2.gz IZQRZEHEHRHCTI-AWEZNQCLSA-N 2 0 334.424 -1.037 20 0 EAADRP O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218668825 794018737 /nfs/dbraw/zinc/01/87/37/794018737.db2.gz IZQRZEHEHRHCTI-CQSZACIVSA-N 2 0 334.424 -1.037 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218693769 794020301 /nfs/dbraw/zinc/02/03/01/794020301.db2.gz OBZUDJUVRMBOBA-CABZTGNLSA-N 2 0 334.380 -1.356 20 0 EAADRP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218701548 794020259 /nfs/dbraw/zinc/02/02/59/794020259.db2.gz ADDRZVOANZXMDH-MRVPVSSYSA-N 2 0 338.372 -2.033 20 0 EAADRP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218701560 794020724 /nfs/dbraw/zinc/02/07/24/794020724.db2.gz ADDRZVOANZXMDH-QMMMGPOBSA-N 2 0 338.372 -2.033 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705594 794021276 /nfs/dbraw/zinc/02/12/76/794021276.db2.gz VPMMBZRQVDPZBV-GWCFXTLKSA-N 2 0 348.407 -1.067 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218714065 794022629 /nfs/dbraw/zinc/02/26/29/794022629.db2.gz WTMRPAZUPQUYKY-NRPADANISA-N 2 0 338.368 -1.255 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218714066 794022897 /nfs/dbraw/zinc/02/28/97/794022897.db2.gz WTMRPAZUPQUYKY-XKSSXDPKSA-N 2 0 338.368 -1.255 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730802 794021734 /nfs/dbraw/zinc/02/17/34/794021734.db2.gz FKTNVINVGIDZLK-WCQGTBRESA-N 2 0 337.380 -1.415 20 0 EAADRP NS(=O)(=O)c1cncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218750707 794022869 /nfs/dbraw/zinc/02/28/69/794022869.db2.gz JEOZXZRXKRIMHU-GFCCVEGCSA-N 2 0 342.425 -1.582 20 0 EAADRP NS(=O)(=O)c1cncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218750710 794022460 /nfs/dbraw/zinc/02/24/60/794022460.db2.gz JEOZXZRXKRIMHU-LBPRGKRZSA-N 2 0 342.425 -1.582 20 0 EAADRP C[C@@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218774792 794024099 /nfs/dbraw/zinc/02/40/99/794024099.db2.gz BJOWXPJUJWMQMV-HLTSFMKQSA-N 2 0 328.804 -1.023 20 0 EAADRP C[C@@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218774793 794025032 /nfs/dbraw/zinc/02/50/32/794025032.db2.gz BJOWXPJUJWMQMV-HRDYMLBCSA-N 2 0 328.804 -1.023 20 0 EAADRP C[C@@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218774794 794024397 /nfs/dbraw/zinc/02/43/97/794024397.db2.gz BJOWXPJUJWMQMV-IWSPIJDZSA-N 2 0 328.804 -1.023 20 0 EAADRP C[C@@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218774795 794024073 /nfs/dbraw/zinc/02/40/73/794024073.db2.gz BJOWXPJUJWMQMV-VGMNWLOBSA-N 2 0 328.804 -1.023 20 0 EAADRP Nc1ncn(C(=O)[C@@H](O)C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777989 794024416 /nfs/dbraw/zinc/02/44/16/794024416.db2.gz RGECCRCCYWCADV-CIUDSAMLSA-N 2 0 344.803 -2.050 20 0 EAADRP Nc1ncn(C(=O)[C@@H](O)C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777995 794024970 /nfs/dbraw/zinc/02/49/70/794024970.db2.gz RGECCRCCYWCADV-HRDYMLBCSA-N 2 0 344.803 -2.050 20 0 EAADRP Nc1ncn(C(=O)[C@@H](O)C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777997 794024582 /nfs/dbraw/zinc/02/45/82/794024582.db2.gz RGECCRCCYWCADV-VGMNWLOBSA-N 2 0 344.803 -2.050 20 0 EAADRP Nc1ncn(C(=O)[C@@H](O)C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777999 794025121 /nfs/dbraw/zinc/02/51/21/794025121.db2.gz RGECCRCCYWCADV-XHNCKOQMSA-N 2 0 344.803 -2.050 20 0 EAADRP Nc1ncn(C(=O)[C@@H](N)C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779217 794024269 /nfs/dbraw/zinc/02/42/69/794024269.db2.gz VXHCNYHRNJDINJ-CIUDSAMLSA-N 2 0 343.819 -2.084 20 0 EAADRP Nc1ncn(C(=O)[C@@H](N)C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779229 794024782 /nfs/dbraw/zinc/02/47/82/794024782.db2.gz VXHCNYHRNJDINJ-HRDYMLBCSA-N 2 0 343.819 -2.084 20 0 EAADRP Nc1ncn(C(=O)[C@@H](N)C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779234 794024476 /nfs/dbraw/zinc/02/44/76/794024476.db2.gz VXHCNYHRNJDINJ-VGMNWLOBSA-N 2 0 343.819 -2.084 20 0 EAADRP Nc1ncn(C(=O)[C@@H](N)C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779242 794025046 /nfs/dbraw/zinc/02/50/46/794025046.db2.gz VXHCNYHRNJDINJ-XHNCKOQMSA-N 2 0 343.819 -2.084 20 0 EAADRP Nc1ncn(C(=O)[C@@H]2CC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780338 794025161 /nfs/dbraw/zinc/02/51/61/794025161.db2.gz PBQXZTVXKMILKB-GUBZILKMSA-N 2 0 340.815 -1.008 20 0 EAADRP Nc1ncn(C(=O)[C@@H]2CC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780342 794024927 /nfs/dbraw/zinc/02/49/27/794024927.db2.gz PBQXZTVXKMILKB-KXUCPTDWSA-N 2 0 340.815 -1.008 20 0 EAADRP Nc1ncn(C(=O)[C@@H]2CC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780344 794023777 /nfs/dbraw/zinc/02/37/77/794023777.db2.gz PBQXZTVXKMILKB-LPEHRKFASA-N 2 0 340.815 -1.008 20 0 EAADRP Nc1ncn(C(=O)[C@@H]2CC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780345 794025133 /nfs/dbraw/zinc/02/51/33/794025133.db2.gz PBQXZTVXKMILKB-UTLUCORTSA-N 2 0 340.815 -1.008 20 0 EAADRP CCc1c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(C(N)=O)nn1C ZINC001218788018 794024668 /nfs/dbraw/zinc/02/46/68/794024668.db2.gz INYMDTFVBGPOOW-JTQLQIEISA-N 2 0 337.428 -1.230 20 0 EAADRP CCc1c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(C(N)=O)nn1C ZINC001218788019 794024120 /nfs/dbraw/zinc/02/41/20/794024120.db2.gz INYMDTFVBGPOOW-SNVBAGLBSA-N 2 0 337.428 -1.230 20 0 EAADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218914121 794027327 /nfs/dbraw/zinc/02/73/27/794027327.db2.gz QQVUVSIKLVNRDR-VIFPVBQESA-N 2 0 333.439 -1.126 20 0 EAADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218915381 794029102 /nfs/dbraw/zinc/02/91/02/794029102.db2.gz OMXZPKHTOAABCC-SECBINFHSA-N 2 0 325.394 -1.336 20 0 EAADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218915387 794027802 /nfs/dbraw/zinc/02/78/02/794027802.db2.gz OMXZPKHTOAABCC-VIFPVBQESA-N 2 0 325.394 -1.336 20 0 EAADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971037 794030498 /nfs/dbraw/zinc/03/04/98/794030498.db2.gz RONABOCPHNHQIO-QLFBSQMISA-N 2 0 345.440 -1.517 20 0 EAADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971039 794031081 /nfs/dbraw/zinc/03/10/81/794031081.db2.gz RONABOCPHNHQIO-SOUVJXGZSA-N 2 0 345.440 -1.517 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219029806 794031939 /nfs/dbraw/zinc/03/19/39/794031939.db2.gz OUBMIXISEXRJKW-CABZTGNLSA-N 2 0 349.391 -1.186 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219117896 794044441 /nfs/dbraw/zinc/04/44/41/794044441.db2.gz GQNYJBHGPWENHU-FZMZJTMJSA-N 2 0 335.408 -1.141 20 0 EAADRP COc1cc2c(cc1NC(=O)CNC(=O)C[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219498181 794116557 /nfs/dbraw/zinc/11/65/57/794116557.db2.gz RIVOFZYSUZQHBP-INIZCTEOSA-N 2 0 347.375 -1.108 20 0 EAADRP COc1cc2c(cc1NC(=O)CNC(=O)C[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498182 794115600 /nfs/dbraw/zinc/11/56/00/794115600.db2.gz RIVOFZYSUZQHBP-MRXNPFEDSA-N 2 0 347.375 -1.108 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219541896 794127175 /nfs/dbraw/zinc/12/71/75/794127175.db2.gz NUXLZQSRZKYDSY-AVWBDOJWSA-N 2 0 334.376 -1.103 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219541897 794126728 /nfs/dbraw/zinc/12/67/28/794126728.db2.gz NUXLZQSRZKYDSY-MPXOCVNLSA-N 2 0 334.376 -1.103 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219541898 794126976 /nfs/dbraw/zinc/12/69/76/794126976.db2.gz NUXLZQSRZKYDSY-WJZNIJOASA-N 2 0 334.376 -1.103 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219541899 794126912 /nfs/dbraw/zinc/12/69/12/794126912.db2.gz NUXLZQSRZKYDSY-YVNDNENWSA-N 2 0 334.376 -1.103 20 0 EAADRP C[NH+](C)CCNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001219553563 794130337 /nfs/dbraw/zinc/13/03/37/794130337.db2.gz ALBORANPGLDSIC-KBPBESRZSA-N 2 0 338.408 -1.583 20 0 EAADRP CC[NH+](CC)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219555554 794129514 /nfs/dbraw/zinc/12/95/14/794129514.db2.gz FYVMQZWCFWXWDN-UHFFFAOYSA-N 2 0 344.416 -3.248 20 0 EAADRP CC[NH+](CC)CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219555585 794130178 /nfs/dbraw/zinc/13/01/78/794130178.db2.gz HOGKUFICBXWRGZ-STQMWFEESA-N 2 0 341.456 -1.101 20 0 EAADRP C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219557999 794131185 /nfs/dbraw/zinc/13/11/85/794131185.db2.gz IXVQPUVTKQDMHH-XQHKEYJVSA-N 2 0 330.429 -1.708 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCn1ccnn1 ZINC001219565712 794134616 /nfs/dbraw/zinc/13/46/16/794134616.db2.gz MPRFWNYOFQIQSC-STQMWFEESA-N 2 0 337.428 -1.158 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573844 794136042 /nfs/dbraw/zinc/13/60/42/794136042.db2.gz YJUMVJFWVVKRMO-CYBMUJFWSA-N 2 0 327.429 -1.898 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573845 794135841 /nfs/dbraw/zinc/13/58/41/794135841.db2.gz YJUMVJFWVVKRMO-ZDUSSCGKSA-N 2 0 327.429 -1.898 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219586944 794137967 /nfs/dbraw/zinc/13/79/67/794137967.db2.gz KISNROZWABYTOG-CYDGBPFRSA-N 2 0 339.440 -1.303 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)COC1(C)C ZINC001219595655 794139627 /nfs/dbraw/zinc/13/96/27/794139627.db2.gz JTMDPIKIFBCOGI-IUCAKERBSA-N 2 0 336.414 -1.956 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001219595695 794139603 /nfs/dbraw/zinc/13/96/03/794139603.db2.gz KVGLZUQTYZPCQG-LBPRGKRZSA-N 2 0 342.421 -1.581 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001219595705 794139112 /nfs/dbraw/zinc/13/91/12/794139112.db2.gz LKSJEQWMKXTSFL-LBPRGKRZSA-N 2 0 342.421 -1.581 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595845 794138889 /nfs/dbraw/zinc/13/88/89/794138889.db2.gz SQIGCLGBQBJCRQ-VIFPVBQESA-N 2 0 338.430 -2.008 20 0 EAADRP CS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219607891 794141004 /nfs/dbraw/zinc/14/10/04/794141004.db2.gz GGKFBPXHLQFKCD-RYUDHWBXSA-N 2 0 348.469 -1.406 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611145 794140831 /nfs/dbraw/zinc/14/08/31/794140831.db2.gz WOQGJFNCZIFPHW-SECBINFHSA-N 2 0 332.348 -1.383 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611146 794140768 /nfs/dbraw/zinc/14/07/68/794140768.db2.gz WOQGJFNCZIFPHW-VIFPVBQESA-N 2 0 332.348 -1.383 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612950 794143050 /nfs/dbraw/zinc/14/30/50/794143050.db2.gz HIZCWIMLNRDGBM-HFJPGXAFSA-N 2 0 339.318 -1.896 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612951 794142945 /nfs/dbraw/zinc/14/29/45/794142945.db2.gz HIZCWIMLNRDGBM-OKTBNZSVSA-N 2 0 339.318 -1.896 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)OC2(CC[NH2+]CC2)C1 ZINC001219616770 794141794 /nfs/dbraw/zinc/14/17/94/794141794.db2.gz CNGOUEXCENHSDH-DVOMOZLQSA-N 3 0 344.431 -1.382 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)OC2(CC[NH2+]CC2)C1 ZINC001219616771 794144085 /nfs/dbraw/zinc/14/40/85/794144085.db2.gz CNGOUEXCENHSDH-HEHGZKQESA-N 3 0 344.431 -1.382 20 0 EAADRP NC(=O)C1CC[NH+](CCC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219617647 794143631 /nfs/dbraw/zinc/14/36/31/794143631.db2.gz NTNWDEAMURLUSC-SWLSCSKDSA-N 2 0 330.404 -1.248 20 0 EAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219617899 794144121 /nfs/dbraw/zinc/14/41/21/794144121.db2.gz PWQYIMLKVFSWQW-JRPNMDOOSA-N 2 0 328.388 -1.719 20 0 EAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219617900 794143782 /nfs/dbraw/zinc/14/37/82/794143782.db2.gz PWQYIMLKVFSWQW-ZIBATOQPSA-N 2 0 328.388 -1.719 20 0 EAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219618129 794144382 /nfs/dbraw/zinc/14/43/82/794144382.db2.gz VXMPBFIKYDULFQ-JBLDHEPKSA-N 2 0 335.401 -2.058 20 0 EAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219618130 794143904 /nfs/dbraw/zinc/14/39/04/794143904.db2.gz VXMPBFIKYDULFQ-JFGNBEQYSA-N 2 0 335.401 -2.058 20 0 EAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219619214 794145034 /nfs/dbraw/zinc/14/50/34/794145034.db2.gz CBDKMYDQUTVSKQ-WFGGJUAMSA-N 2 0 342.415 -1.092 20 0 EAADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001219619224 794145343 /nfs/dbraw/zinc/14/53/43/794145343.db2.gz CKSVSGXCNYQDGO-HEHGZKQESA-N 2 0 338.383 -1.166 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619789 794145156 /nfs/dbraw/zinc/14/51/56/794145156.db2.gz PRPKLFYDNZVICL-GXSJLCMTSA-N 2 0 326.394 -2.615 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621720 794147204 /nfs/dbraw/zinc/14/72/04/794147204.db2.gz FRUHRZCTPVLJIH-ZIBATOQPSA-N 2 0 348.419 -1.576 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)COC1(C)C ZINC001219622231 794146940 /nfs/dbraw/zinc/14/69/40/794146940.db2.gz QEMGDIZDPCXYOP-USXUVBGUSA-N 2 0 346.403 -1.524 20 0 EAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219624328 794147216 /nfs/dbraw/zinc/14/72/16/794147216.db2.gz HJGDLZFUYPRSGY-SWLSCSKDSA-N 2 0 338.387 -1.322 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635714 794148549 /nfs/dbraw/zinc/14/85/49/794148549.db2.gz OOMQKXAZOVYAAI-BJDJZHNGSA-N 2 0 343.403 -1.743 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1)C(N)=O ZINC001219648836 794150535 /nfs/dbraw/zinc/15/05/35/794150535.db2.gz BARPUACSMPEWMM-FIQHERPVSA-N 2 0 327.429 -1.554 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1)C(N)=O ZINC001219648837 794149555 /nfs/dbraw/zinc/14/95/55/794149555.db2.gz BARPUACSMPEWMM-NNYUYHANSA-N 2 0 327.429 -1.554 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1)C(N)=O ZINC001219648838 794149839 /nfs/dbraw/zinc/14/98/39/794149839.db2.gz BARPUACSMPEWMM-NOOOWODRSA-N 2 0 327.429 -1.554 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1)C(N)=O ZINC001219648839 794150210 /nfs/dbraw/zinc/15/02/10/794150210.db2.gz BARPUACSMPEWMM-WRWGMCAJSA-N 2 0 327.429 -1.554 20 0 EAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676259 794155338 /nfs/dbraw/zinc/15/53/38/794155338.db2.gz CYIPZJIPKPEYOU-ZDUSSCGKSA-N 2 0 349.501 -1.603 20 0 EAADRP O=C(CN1CCNCC1=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676395 794155301 /nfs/dbraw/zinc/15/53/01/794155301.db2.gz IVCZGVQXEFQRAE-UHFFFAOYSA-N 2 0 333.414 -3.231 20 0 EAADRP O=C(CNC1CC[NH2+]CC1)NCCS(=O)(=O)N1CCNCC1 ZINC001219676477 794154864 /nfs/dbraw/zinc/15/48/64/794154864.db2.gz LVSKTBDBWNKAQR-UHFFFAOYSA-N 3 0 333.458 -2.321 20 0 EAADRP CCOC(=O)c1nc[nH]c1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219676588 794155243 /nfs/dbraw/zinc/15/52/43/794155243.db2.gz PPYFDAWZXJHRJM-LLVKDONJSA-N 2 0 338.412 -1.047 20 0 EAADRP CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219676589 794155229 /nfs/dbraw/zinc/15/52/29/794155229.db2.gz PPYFDAWZXJHRJM-NSHDSACASA-N 2 0 338.412 -1.047 20 0 EAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676729 794155024 /nfs/dbraw/zinc/15/50/24/794155024.db2.gz UXJGFXCFIBJHNC-LBPRGKRZSA-N 2 0 335.474 -1.945 20 0 EAADRP O=C(NCCS(=O)(=O)N1CCNCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219676832 794154824 /nfs/dbraw/zinc/15/48/24/794154824.db2.gz XOYOXXZYAMUZOT-TZMCWYRMSA-N 2 0 345.469 -2.463 20 0 EAADRP O=C(NCCS(=O)(=O)N1CCNCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219676867 794155518 /nfs/dbraw/zinc/15/55/18/794155518.db2.gz YAHDUQDHDHOJMJ-LLVKDONJSA-N 2 0 331.442 -2.853 20 0 EAADRP O=C(NCCS(=O)(=O)N1CCNCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219676870 794154716 /nfs/dbraw/zinc/15/47/16/794154716.db2.gz YAHDUQDHDHOJMJ-NSHDSACASA-N 2 0 331.442 -2.853 20 0 EAADRP [NH3+][C@@H](C(=O)NCCS(=O)(=O)N1CCNCC1)C1CC[NH2+]CC1 ZINC001219678143 794156968 /nfs/dbraw/zinc/15/69/68/794156968.db2.gz FFMDXOKZPJUZBA-GFCCVEGCSA-N 2 0 333.458 -2.336 20 0 EAADRP [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CCNCC1)C1CC[NH2+]CC1 ZINC001219678144 794156613 /nfs/dbraw/zinc/15/66/13/794156613.db2.gz FFMDXOKZPJUZBA-LBPRGKRZSA-N 2 0 333.458 -2.336 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678435 794156913 /nfs/dbraw/zinc/15/69/13/794156913.db2.gz OBNQCGPKGDAJEF-JTQLQIEISA-N 2 0 339.487 -2.643 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678661 794156574 /nfs/dbraw/zinc/15/65/74/794156574.db2.gz YVQAJZJKTJCFLG-LBPRGKRZSA-N 2 0 335.474 -1.816 20 0 EAADRP NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001219681846 794158500 /nfs/dbraw/zinc/15/85/00/794158500.db2.gz CSMPQSFCDJZRMU-QWRGUYRKSA-N 2 0 325.413 -1.432 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219684556 794159512 /nfs/dbraw/zinc/15/95/12/794159512.db2.gz PZLUKPBUMAMHTE-XQHKEYJVSA-N 2 0 339.440 -1.445 20 0 EAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219694000 794159530 /nfs/dbraw/zinc/15/95/30/794159530.db2.gz CPTFVXQJMBLQGM-NSHDSACASA-N 2 0 336.396 -1.846 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219696337 794159699 /nfs/dbraw/zinc/15/96/99/794159699.db2.gz IIZFPYAKJBHULH-LLVKDONJSA-N 2 0 331.438 -1.759 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219696338 794159714 /nfs/dbraw/zinc/15/97/14/794159714.db2.gz IIZFPYAKJBHULH-NSHDSACASA-N 2 0 331.438 -1.759 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696687 794159087 /nfs/dbraw/zinc/15/90/87/794159087.db2.gz LNJSKOGZKGXGEX-QWRGUYRKSA-N 2 0 341.412 -2.719 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697030 794158911 /nfs/dbraw/zinc/15/89/11/794158911.db2.gz OYFUMSKWPBIQQA-STQMWFEESA-N 3 0 341.456 -1.726 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219697044 794159634 /nfs/dbraw/zinc/15/96/34/794159634.db2.gz PIVPQTRJGNBKQA-KBPBESRZSA-N 2 0 330.388 -1.060 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219697045 794158773 /nfs/dbraw/zinc/15/87/73/794158773.db2.gz PIVPQTRJGNBKQA-KGLIPLIRSA-N 2 0 330.388 -1.060 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001219697046 794158964 /nfs/dbraw/zinc/15/89/64/794158964.db2.gz PIVPQTRJGNBKQA-UONOGXRCSA-N 2 0 330.388 -1.060 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001219697047 794159435 /nfs/dbraw/zinc/15/94/35/794159435.db2.gz PIVPQTRJGNBKQA-ZIAGYGMSSA-N 2 0 330.388 -1.060 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219697284 794159581 /nfs/dbraw/zinc/15/95/81/794159581.db2.gz QPODPAKALKCQMP-PXAZEXFGSA-N 2 0 330.388 -1.064 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219697285 794159559 /nfs/dbraw/zinc/15/95/59/794159559.db2.gz QPODPAKALKCQMP-SJCJKPOMSA-N 2 0 330.388 -1.064 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219697286 794158896 /nfs/dbraw/zinc/15/88/96/794158896.db2.gz QPODPAKALKCQMP-SJKOYZFVSA-N 2 0 330.388 -1.064 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219697287 794159316 /nfs/dbraw/zinc/15/93/16/794159316.db2.gz QPODPAKALKCQMP-YVEFUNNKSA-N 2 0 330.388 -1.064 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219698478 794159214 /nfs/dbraw/zinc/15/92/14/794159214.db2.gz CASVYCULJBAUCR-CYBMUJFWSA-N 2 0 346.391 -1.156 20 0 EAADRP O=C(NCCC1(O)C[NH2+]C1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219698479 794160368 /nfs/dbraw/zinc/16/03/68/794160368.db2.gz CASVYCULJBAUCR-ZDUSSCGKSA-N 2 0 346.391 -1.156 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219706246 794161057 /nfs/dbraw/zinc/16/10/57/794161057.db2.gz YZQAWOSUGPMRNO-HZMBPMFUSA-N 2 0 347.419 -1.344 20 0 EAADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711987 794160938 /nfs/dbraw/zinc/16/09/38/794160938.db2.gz JRLZJKMMRFVJFX-IACUBPJLSA-N 2 0 335.408 -1.242 20 0 EAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219713955 794162279 /nfs/dbraw/zinc/16/22/79/794162279.db2.gz AWONTFCDIQFSQZ-RAIGVLPGSA-N 2 0 332.364 -1.547 20 0 EAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219713956 794162460 /nfs/dbraw/zinc/16/24/60/794162460.db2.gz AWONTFCDIQFSQZ-RTXFEEFZSA-N 2 0 332.364 -1.547 20 0 EAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219714453 794161646 /nfs/dbraw/zinc/16/16/46/794161646.db2.gz LJGZFTFZNXSRBS-CAOSSQGBSA-N 2 0 346.431 -1.085 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714539 794162119 /nfs/dbraw/zinc/16/21/19/794162119.db2.gz OEXMJIYQNNACRE-QNWHQSFQSA-N 3 0 327.429 -2.117 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714601 794162024 /nfs/dbraw/zinc/16/20/24/794162024.db2.gz QDTOVCBFEWLRHN-QNWHQSFQSA-N 2 0 342.440 -1.431 20 0 EAADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714663 794162352 /nfs/dbraw/zinc/16/23/52/794162352.db2.gz SGMUJTCATRSXFM-DJLDLDEBSA-N 2 0 326.319 -1.389 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714666 794162318 /nfs/dbraw/zinc/16/23/18/794162318.db2.gz SIVHFQBEPCNHPA-ZRUFSTJUSA-N 2 0 327.385 -3.110 20 0 EAADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714707 794162048 /nfs/dbraw/zinc/16/20/48/794162048.db2.gz VEHHGRBBDPYIPF-LVQVYYBASA-N 2 0 346.431 -1.004 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719934 794162071 /nfs/dbraw/zinc/16/20/71/794162071.db2.gz AQUSIXJWVWMTMM-RVMXOQNASA-N 2 0 342.440 -1.038 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720343 794162486 /nfs/dbraw/zinc/16/24/86/794162486.db2.gz JELAYPJCSRLGBP-MMWGEVLESA-N 2 0 327.385 -2.717 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720389 794161926 /nfs/dbraw/zinc/16/19/26/794161926.db2.gz LENRNMSLWJHOLS-RVMXOQNASA-N 3 0 327.429 -1.724 20 0 EAADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219721082 794162648 /nfs/dbraw/zinc/16/26/48/794162648.db2.gz YPIPPOFSGIHUGF-AEGPPILISA-N 2 0 345.403 -1.004 20 0 EAADRP [NH3+][C@H]1COC[C@H]1NC(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219723764 794162262 /nfs/dbraw/zinc/16/22/62/794162262.db2.gz RYTXTRWIFVZVJX-DMDPSCGWSA-N 2 0 332.364 -1.154 20 0 EAADRP [NH3+][C@H]1COC[C@H]1NC(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219723765 794161809 /nfs/dbraw/zinc/16/18/09/794161809.db2.gz RYTXTRWIFVZVJX-LOWVWBTDSA-N 2 0 332.364 -1.154 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736885 794170003 /nfs/dbraw/zinc/17/00/03/794170003.db2.gz KNPQIIKIMMYKPN-KBPBESRZSA-N 3 0 338.452 -1.066 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736886 794170054 /nfs/dbraw/zinc/17/00/54/794170054.db2.gz KNPQIIKIMMYKPN-KGLIPLIRSA-N 3 0 338.452 -1.066 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736887 794170209 /nfs/dbraw/zinc/17/02/09/794170209.db2.gz KNPQIIKIMMYKPN-UONOGXRCSA-N 3 0 338.452 -1.066 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736888 794169255 /nfs/dbraw/zinc/16/92/55/794169255.db2.gz KNPQIIKIMMYKPN-ZIAGYGMSSA-N 3 0 338.452 -1.066 20 0 EAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219737065 794169599 /nfs/dbraw/zinc/16/95/99/794169599.db2.gz NVXOETKOFKYDMK-GHMZBOCLSA-N 2 0 329.422 -1.742 20 0 EAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219737066 794170091 /nfs/dbraw/zinc/17/00/91/794170091.db2.gz NVXOETKOFKYDMK-MNOVXSKESA-N 2 0 329.422 -1.742 20 0 EAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219737067 794169165 /nfs/dbraw/zinc/16/91/65/794169165.db2.gz NVXOETKOFKYDMK-QWRGUYRKSA-N 2 0 329.422 -1.742 20 0 EAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219737068 794169898 /nfs/dbraw/zinc/16/98/98/794169898.db2.gz NVXOETKOFKYDMK-WDEREUQCSA-N 2 0 329.422 -1.742 20 0 EAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219737303 794169879 /nfs/dbraw/zinc/16/98/79/794169879.db2.gz SNYRJMSYSFMLAU-NEPJUHHUSA-N 2 0 347.423 -1.581 20 0 EAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219737304 794169510 /nfs/dbraw/zinc/16/95/10/794169510.db2.gz SNYRJMSYSFMLAU-NWDGAFQWSA-N 2 0 347.423 -1.581 20 0 EAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219737305 794169457 /nfs/dbraw/zinc/16/94/57/794169457.db2.gz SNYRJMSYSFMLAU-RYUDHWBXSA-N 2 0 347.423 -1.581 20 0 EAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219737306 794170098 /nfs/dbraw/zinc/17/00/98/794170098.db2.gz SNYRJMSYSFMLAU-VXGBXAGGSA-N 2 0 347.423 -1.581 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219738906 794170776 /nfs/dbraw/zinc/17/07/76/794170776.db2.gz BLYWFCPEUYZIEC-NEPJUHHUSA-N 2 0 342.440 -1.260 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219738907 794170905 /nfs/dbraw/zinc/17/09/05/794170905.db2.gz BLYWFCPEUYZIEC-RYUDHWBXSA-N 2 0 342.440 -1.260 20 0 EAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219738942 794171832 /nfs/dbraw/zinc/17/18/32/794171832.db2.gz CJEAEUSBYSQUKI-GFCCVEGCSA-N 2 0 332.408 -1.006 20 0 EAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219738943 794170811 /nfs/dbraw/zinc/17/08/11/794170811.db2.gz CJEAEUSBYSQUKI-LBPRGKRZSA-N 2 0 332.408 -1.006 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)COC1(C)C ZINC001219739178 794170933 /nfs/dbraw/zinc/17/09/33/794170933.db2.gz INHKVMZOOREZRP-SRVKXCTJSA-N 2 0 340.424 -1.208 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)COC1(C)C ZINC001219739179 794171759 /nfs/dbraw/zinc/17/17/59/794171759.db2.gz INHKVMZOOREZRP-TUAOUCFPSA-N 2 0 340.424 -1.208 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739382 794171207 /nfs/dbraw/zinc/17/12/07/794171207.db2.gz NCVYARDHSNHCLD-AEJSXWLSSA-N 2 0 327.385 -2.812 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739383 794171499 /nfs/dbraw/zinc/17/14/99/794171499.db2.gz NCVYARDHSNHCLD-GUBZILKMSA-N 2 0 327.385 -2.812 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C(N)=O ZINC001219739714 794170973 /nfs/dbraw/zinc/17/09/73/794170973.db2.gz VWFWBBRPXMAMFA-GARJFASQSA-N 2 0 341.412 -2.421 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C(N)=O ZINC001219739715 794171369 /nfs/dbraw/zinc/17/13/69/794171369.db2.gz VWFWBBRPXMAMFA-HBNTYKKESA-N 2 0 341.412 -2.421 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743941 794172581 /nfs/dbraw/zinc/17/25/81/794172581.db2.gz PUBMEWPAXNZSAT-GFCCVEGCSA-N 2 0 348.469 -1.376 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743942 794172396 /nfs/dbraw/zinc/17/23/96/794172396.db2.gz PUBMEWPAXNZSAT-LBPRGKRZSA-N 2 0 348.469 -1.376 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744135 794173270 /nfs/dbraw/zinc/17/32/70/794173270.db2.gz SXFPPCQNTVGGGP-SRVKXCTJSA-N 2 0 328.413 -1.772 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744136 794172299 /nfs/dbraw/zinc/17/22/99/794172299.db2.gz SXFPPCQNTVGGGP-TUAOUCFPSA-N 2 0 328.413 -1.772 20 0 EAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748742 794174223 /nfs/dbraw/zinc/17/42/23/794174223.db2.gz AAKVZHOBBYVHME-GHMZBOCLSA-N 2 0 336.396 -1.214 20 0 EAADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748953 794175130 /nfs/dbraw/zinc/17/51/30/794175130.db2.gz FEIXFBKXVWECGN-QWRGUYRKSA-N 2 0 335.412 -1.274 20 0 EAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219749005 794175207 /nfs/dbraw/zinc/17/52/07/794175207.db2.gz GVOZYRNAFPTZLL-LLVKDONJSA-N 2 0 347.423 -1.497 20 0 EAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219749006 794174755 /nfs/dbraw/zinc/17/47/55/794174755.db2.gz GVOZYRNAFPTZLL-NSHDSACASA-N 2 0 347.423 -1.497 20 0 EAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749009 794174333 /nfs/dbraw/zinc/17/43/33/794174333.db2.gz HAOLUUSVFWPACS-JTQLQIEISA-N 2 0 341.441 -1.458 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749027 794174012 /nfs/dbraw/zinc/17/40/12/794174012.db2.gz HUBISTVBWCZNOG-UHFFFAOYSA-N 2 0 345.429 -2.392 20 0 EAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749223 794176026 /nfs/dbraw/zinc/17/60/26/794176026.db2.gz KMIQQDGIOBENBC-NSHDSACASA-N 2 0 337.428 -1.123 20 0 EAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749849 794176943 /nfs/dbraw/zinc/17/69/43/794176943.db2.gz RNSPYOFTFWFEJI-HZMBPMFUSA-N 2 0 337.428 -1.123 20 0 EAADRP [NH3+][C@H]1CCCCN(CC(=O)NCc2nnc3n2CCC[NH2+]C3)C1=O ZINC001219750258 794176002 /nfs/dbraw/zinc/17/60/02/794176002.db2.gz ZDFDLMTXNDHIGB-NSHDSACASA-N 2 0 335.412 -1.273 20 0 EAADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750261 794175716 /nfs/dbraw/zinc/17/57/16/794175716.db2.gz ZITAEMHNTCRTEV-NSHDSACASA-N 2 0 337.428 -1.123 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750907 794176784 /nfs/dbraw/zinc/17/67/84/794176784.db2.gz KBDHSJDYPWBQEI-GFCCVEGCSA-N 3 0 336.444 -1.862 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750908 794176811 /nfs/dbraw/zinc/17/68/11/794176811.db2.gz KBDHSJDYPWBQEI-LBPRGKRZSA-N 3 0 336.444 -1.862 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219751393 794176588 /nfs/dbraw/zinc/17/65/88/794176588.db2.gz RFJBOXNRMBFRIF-IUCAKERBSA-N 2 0 325.373 -2.788 20 0 EAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764210 794179236 /nfs/dbraw/zinc/17/92/36/794179236.db2.gz ASSGDNDKOUZNHI-AGIUHOORSA-N 2 0 329.470 -1.450 20 0 EAADRP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219764303 794179313 /nfs/dbraw/zinc/17/93/13/794179313.db2.gz CVVBKIBHQIKIOV-AGIUHOORSA-N 2 0 342.465 -1.827 20 0 EAADRP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219764305 794179460 /nfs/dbraw/zinc/17/94/60/794179460.db2.gz CVVBKIBHQIKIOV-FRRDWIJNSA-N 2 0 342.465 -1.827 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764398 794179221 /nfs/dbraw/zinc/17/92/21/794179221.db2.gz FEPPOILMXXPSBV-NEPJUHHUSA-N 2 0 333.458 -2.383 20 0 EAADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764613 794179245 /nfs/dbraw/zinc/17/92/45/794179245.db2.gz IYEDICYHENCQIL-RDBSUJKOSA-N 2 0 325.457 -1.114 20 0 EAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219765071 794179738 /nfs/dbraw/zinc/17/97/38/794179738.db2.gz UBZYCYJNFBMKCO-HZSPNIEDSA-N 2 0 335.452 -1.488 20 0 EAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219765072 794179328 /nfs/dbraw/zinc/17/93/28/794179328.db2.gz UBZYCYJNFBMKCO-RDBSUJKOSA-N 2 0 335.452 -1.488 20 0 EAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765940 794179113 /nfs/dbraw/zinc/17/91/13/794179113.db2.gz IVWIBLQFVRMSOI-RDBSUJKOSA-N 2 0 325.457 -1.114 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765977 794179779 /nfs/dbraw/zinc/17/97/79/794179779.db2.gz JYJYQPSZRWYWDS-USZNOCQGSA-N 2 0 340.428 -2.896 20 0 EAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766567 794179359 /nfs/dbraw/zinc/17/93/59/794179359.db2.gz WMHGOVIFSLLUQT-XFMPKHEZSA-N 2 0 325.457 -1.114 20 0 EAADRP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219766600 794178576 /nfs/dbraw/zinc/17/85/76/794178576.db2.gz XXAQPPRYTMAGPE-KGLIPLIRSA-N 2 0 345.451 -1.090 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@]1(F)CCC[NH2+]C1)C(N)=O ZINC001219771756 794181545 /nfs/dbraw/zinc/18/15/45/794181545.db2.gz RJLQSPSNNRLDSU-IMSIIYSGSA-N 2 0 331.392 -1.708 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@]1(F)CCC[NH2+]C1)C(N)=O ZINC001219771757 794180955 /nfs/dbraw/zinc/18/09/55/794180955.db2.gz RJLQSPSNNRLDSU-RBZYPMLTSA-N 2 0 331.392 -1.708 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC1CC2(C1)CC[NH2+]CC2)C(N)=O ZINC001219779291 794180314 /nfs/dbraw/zinc/18/03/14/794180314.db2.gz BYGLPAZBYVZLKU-CMPLNLGQSA-N 2 0 339.440 -1.268 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779296 794181488 /nfs/dbraw/zinc/18/14/88/794181488.db2.gz CHEVDCJJQXGEBQ-ONGXEEELSA-N 2 0 325.413 -1.658 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219791745 794182297 /nfs/dbraw/zinc/18/22/97/794182297.db2.gz UNPKEANTUGBOBT-OBJOEFQTSA-N 2 0 337.424 -1.462 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219791747 794182550 /nfs/dbraw/zinc/18/25/50/794182550.db2.gz UNPKEANTUGBOBT-SCRDCRAPSA-N 2 0 337.424 -1.462 20 0 EAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219793184 794184864 /nfs/dbraw/zinc/18/48/64/794184864.db2.gz BKZYPMOSHNCGIK-HNNXBMFYSA-N 3 0 337.468 -1.351 20 0 EAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219793185 794184233 /nfs/dbraw/zinc/18/42/33/794184233.db2.gz BKZYPMOSHNCGIK-OAHLLOKOSA-N 3 0 337.468 -1.351 20 0 EAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219793419 794185143 /nfs/dbraw/zinc/18/51/43/794185143.db2.gz FYMIWZUIXFYRCH-HNNXBMFYSA-N 3 0 335.452 -1.203 20 0 EAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219793421 794184989 /nfs/dbraw/zinc/18/49/89/794184989.db2.gz FYMIWZUIXFYRCH-OAHLLOKOSA-N 3 0 335.452 -1.203 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799745 794184627 /nfs/dbraw/zinc/18/46/27/794184627.db2.gz BUSMCQGSFVEKEP-LLVKDONJSA-N 2 0 334.442 -1.909 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799746 794183893 /nfs/dbraw/zinc/18/38/93/794183893.db2.gz BUSMCQGSFVEKEP-NSHDSACASA-N 2 0 334.442 -1.909 20 0 EAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219800968 794184427 /nfs/dbraw/zinc/18/44/27/794184427.db2.gz PONTZZZLSMDWCD-NEPJUHHUSA-N 2 0 343.449 -1.352 20 0 EAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219800969 794183778 /nfs/dbraw/zinc/18/37/78/794183778.db2.gz PONTZZZLSMDWCD-NWDGAFQWSA-N 2 0 343.449 -1.352 20 0 EAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219800970 794184879 /nfs/dbraw/zinc/18/48/79/794184879.db2.gz PONTZZZLSMDWCD-RYUDHWBXSA-N 2 0 343.449 -1.352 20 0 EAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219800971 794184513 /nfs/dbraw/zinc/18/45/13/794184513.db2.gz PONTZZZLSMDWCD-VXGBXAGGSA-N 2 0 343.449 -1.352 20 0 EAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219801408 794183613 /nfs/dbraw/zinc/18/36/13/794183613.db2.gz ZHAWRHAFRWQJEY-CHWSQXEVSA-N 2 0 336.436 -1.013 20 0 EAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219801409 794184321 /nfs/dbraw/zinc/18/43/21/794184321.db2.gz ZHAWRHAFRWQJEY-OLZOCXBDSA-N 2 0 336.436 -1.013 20 0 EAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219801410 794184799 /nfs/dbraw/zinc/18/47/99/794184799.db2.gz ZHAWRHAFRWQJEY-QWHCGFSZSA-N 2 0 336.436 -1.013 20 0 EAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219801411 794184456 /nfs/dbraw/zinc/18/44/56/794184456.db2.gz ZHAWRHAFRWQJEY-STQMWFEESA-N 2 0 336.436 -1.013 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802686 794183753 /nfs/dbraw/zinc/18/37/53/794183753.db2.gz AEIIOSFMGANRGE-GXTWGEPZSA-N 3 0 325.457 -1.378 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802687 794183985 /nfs/dbraw/zinc/18/39/85/794183985.db2.gz AEIIOSFMGANRGE-JSGCOSHPSA-N 3 0 325.457 -1.378 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802688 794183958 /nfs/dbraw/zinc/18/39/58/794183958.db2.gz AEIIOSFMGANRGE-OCCSQVGLSA-N 3 0 325.457 -1.378 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802689 794184270 /nfs/dbraw/zinc/18/42/70/794184270.db2.gz AEIIOSFMGANRGE-TZMCWYRMSA-N 3 0 325.457 -1.378 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803521 794184581 /nfs/dbraw/zinc/18/45/81/794184581.db2.gz WLKCYRISXRMRQH-AXFHLTTASA-N 2 0 341.412 -2.421 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803522 794183626 /nfs/dbraw/zinc/18/36/26/794183626.db2.gz WLKCYRISXRMRQH-DCAQKATOSA-N 2 0 341.412 -2.421 20 0 EAADRP O=C(NCc1cc(=O)n2c(n1)CNCCC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219805605 794185993 /nfs/dbraw/zinc/18/59/93/794185993.db2.gz ALCHWIHWHWSGME-SJKOYZFVSA-N 2 0 346.435 -1.448 20 0 EAADRP [NH3+][C@H](C(=O)NCc1cc(=O)n2c(n1)CNCCC2)C1CC[NH2+]CC1 ZINC001219805760 794185643 /nfs/dbraw/zinc/18/56/43/794185643.db2.gz CGHXRLVXLNXYQI-HNNXBMFYSA-N 2 0 334.424 -1.320 20 0 EAADRP [NH3+][C@@H](C(=O)NCc1cc(=O)n2c(n1)CNCCC2)C1CC[NH2+]CC1 ZINC001219805761 794186520 /nfs/dbraw/zinc/18/65/20/794186520.db2.gz CGHXRLVXLNXYQI-OAHLLOKOSA-N 2 0 334.424 -1.320 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219807687 794186393 /nfs/dbraw/zinc/18/63/93/794186393.db2.gz LHTKFCQDWOBOIN-NSHDSACASA-N 2 0 340.453 -1.628 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219810921 794188422 /nfs/dbraw/zinc/18/84/22/794188422.db2.gz HCIRQXCMCWYZRP-CBAPKCEASA-N 2 0 338.368 -2.356 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811161 794187569 /nfs/dbraw/zinc/18/75/69/794187569.db2.gz MDMVEVJUOGLUFV-UHFFFAOYSA-N 2 0 331.398 -1.843 20 0 EAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219812421 794187263 /nfs/dbraw/zinc/18/72/63/794187263.db2.gz AVAPTJDVXUTBCD-GVXVVHGQSA-N 2 0 329.422 -1.885 20 0 EAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219812425 794187925 /nfs/dbraw/zinc/18/79/25/794187925.db2.gz AVAPTJDVXUTBCD-LOWVWBTDSA-N 2 0 329.422 -1.885 20 0 EAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219812908 794187467 /nfs/dbraw/zinc/18/74/67/794187467.db2.gz KSDGZBLHWPEWJR-XEZPLFJOSA-N 2 0 346.435 -1.119 20 0 EAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219812909 794187124 /nfs/dbraw/zinc/18/71/24/794187124.db2.gz KSDGZBLHWPEWJR-ZENOOKHLSA-N 2 0 346.435 -1.119 20 0 EAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219813082 794187728 /nfs/dbraw/zinc/18/77/28/794187728.db2.gz NSWZLORUYFFLOX-HUBLWGQQSA-N 2 0 347.423 -1.724 20 0 EAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219813083 794188048 /nfs/dbraw/zinc/18/80/48/794188048.db2.gz NSWZLORUYFFLOX-ZOWXZIJZSA-N 2 0 347.423 -1.724 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)OC2(CC[NH2+]CC2)C1 ZINC001219813133 794187655 /nfs/dbraw/zinc/18/76/55/794187655.db2.gz ORHBTUDTHHDTEP-DZKIICNBSA-N 3 0 338.452 -1.209 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)OC2(CC[NH2+]CC2)C1 ZINC001219813134 794187207 /nfs/dbraw/zinc/18/72/07/794187207.db2.gz ORHBTUDTHHDTEP-LZWOXQAQSA-N 3 0 338.452 -1.209 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814847 794187743 /nfs/dbraw/zinc/18/77/43/794187743.db2.gz NVPFUMPBTCUVHT-MKBNYLNASA-N 2 0 342.440 -1.403 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219815215 794188498 /nfs/dbraw/zinc/18/84/98/794188498.db2.gz VBMBWRGYMMMOJK-QSDJMHMYSA-N 2 0 327.385 -2.954 20 0 EAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219815359 794187735 /nfs/dbraw/zinc/18/77/35/794187735.db2.gz XUWUFIDOJYFZES-LRDDRELGSA-N 2 0 332.408 -1.148 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)COC1(C)C ZINC001219815385 794187988 /nfs/dbraw/zinc/18/79/88/794187988.db2.gz YBVAAYUFIXZKJW-YWDSYVAPSA-N 2 0 340.424 -1.351 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818338 794188736 /nfs/dbraw/zinc/18/87/36/794188736.db2.gz CUHQHXLUJIODGX-QJZXMWHDSA-N 2 0 347.419 -1.087 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825358 794189372 /nfs/dbraw/zinc/18/93/72/794189372.db2.gz IIFRKOYTHGLKNW-HGNGGELXSA-N 2 0 339.421 -1.284 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825359 794189497 /nfs/dbraw/zinc/18/94/97/794189497.db2.gz IIFRKOYTHGLKNW-UJNFCWOMSA-N 2 0 339.421 -1.284 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831221 794190900 /nfs/dbraw/zinc/19/09/00/794190900.db2.gz BYQCMEUDTQUUTM-NDBYEHHHSA-N 2 0 342.440 -1.262 20 0 EAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219831369 794190879 /nfs/dbraw/zinc/19/08/79/794190879.db2.gz IJDOAGWIVJKGHO-KKOKHZNYSA-N 2 0 329.422 -1.744 20 0 EAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219831370 794191126 /nfs/dbraw/zinc/19/11/26/794191126.db2.gz IJDOAGWIVJKGHO-WYUUTHIRSA-N 2 0 329.422 -1.744 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C(N)=O ZINC001219831400 794191113 /nfs/dbraw/zinc/19/11/13/794191113.db2.gz JMASXQOGIUQGNZ-KQSJRHEJSA-N 2 0 341.412 -2.423 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)OC2(CC[NH2+]CC2)C1 ZINC001219831428 794190906 /nfs/dbraw/zinc/19/09/06/794190906.db2.gz KIHCTEJYKKARIU-APIJFGDWSA-N 3 0 338.452 -1.068 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)OC2(CC[NH2+]CC2)C1 ZINC001219831429 794191367 /nfs/dbraw/zinc/19/13/67/794191367.db2.gz KIHCTEJYKKARIU-KBXIAJHMSA-N 3 0 338.452 -1.068 20 0 EAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219831560 794191499 /nfs/dbraw/zinc/19/14/99/794191499.db2.gz OYXDSLXYHLBVNW-LPWJVIDDSA-N 2 0 347.423 -1.583 20 0 EAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219831561 794191042 /nfs/dbraw/zinc/19/10/42/794191042.db2.gz OYXDSLXYHLBVNW-NDBYEHHHSA-N 2 0 347.423 -1.583 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831690 794191030 /nfs/dbraw/zinc/19/10/30/794191030.db2.gz UNRDWKQPFYKFCI-GEVSDDDWSA-N 2 0 327.385 -2.813 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)COC1(C)C ZINC001219831801 794190649 /nfs/dbraw/zinc/19/06/49/794190649.db2.gz YTFDJDHNOIBOMA-QWQWKMKNSA-N 2 0 340.424 -1.210 20 0 EAADRP [NH3+]CCNC(=O)/C=C/C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833249 794192308 /nfs/dbraw/zinc/19/23/08/794192308.db2.gz BASRBKFDMRZPHD-AOPKSKQMSA-N 2 0 326.397 -1.871 20 0 EAADRP [NH3+]CCNC(=O)/C=C/C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833253 794192288 /nfs/dbraw/zinc/19/22/88/794192288.db2.gz BASRBKFDMRZPHD-BDRICWQKSA-N 2 0 326.397 -1.871 20 0 EAADRP [NH3+]CCNC(=O)/C=C/C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833254 794192189 /nfs/dbraw/zinc/19/21/89/794192189.db2.gz BASRBKFDMRZPHD-LEKDSDBISA-N 2 0 326.397 -1.871 20 0 EAADRP [NH3+]CCNC(=O)/C=C/C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833256 794192247 /nfs/dbraw/zinc/19/22/47/794192247.db2.gz BASRBKFDMRZPHD-YAENAXOSSA-N 2 0 326.397 -1.871 20 0 EAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219833268 794192087 /nfs/dbraw/zinc/19/20/87/794192087.db2.gz BDCHUSGJQPSKKZ-IPYPFGDCSA-N 2 0 340.424 -2.172 20 0 EAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219833270 794192127 /nfs/dbraw/zinc/19/21/27/794192127.db2.gz BDCHUSGJQPSKKZ-NFAWXSAZSA-N 2 0 340.424 -2.172 20 0 EAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219833271 794192312 /nfs/dbraw/zinc/19/23/12/794192312.db2.gz BDCHUSGJQPSKKZ-UMVBOHGHSA-N 2 0 340.424 -2.172 20 0 EAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219833272 794192297 /nfs/dbraw/zinc/19/22/97/794192297.db2.gz BDCHUSGJQPSKKZ-VNHYZAJKSA-N 2 0 340.424 -2.172 20 0 EAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833282 794192207 /nfs/dbraw/zinc/19/22/07/794192207.db2.gz BGDIJLHGHMTPEN-HUBLWGQQSA-N 2 0 343.428 -1.727 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833283 794192286 /nfs/dbraw/zinc/19/22/86/794192286.db2.gz BGDIJLHGHMTPEN-JMSVASOKSA-N 2 0 343.428 -1.727 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833284 794192304 /nfs/dbraw/zinc/19/23/04/794192304.db2.gz BGDIJLHGHMTPEN-LALPHHSUSA-N 2 0 343.428 -1.727 20 0 EAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833285 794192446 /nfs/dbraw/zinc/19/24/46/794192446.db2.gz BGDIJLHGHMTPEN-SLEUVZQESA-N 2 0 343.428 -1.727 20 0 EAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833286 794192357 /nfs/dbraw/zinc/19/23/57/794192357.db2.gz BGDIJLHGHMTPEN-TYNCELHUSA-N 2 0 343.428 -1.727 20 0 EAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833287 794192077 /nfs/dbraw/zinc/19/20/77/794192077.db2.gz BGDIJLHGHMTPEN-XUJVJEKNSA-N 2 0 343.428 -1.727 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833288 794191963 /nfs/dbraw/zinc/19/19/63/794191963.db2.gz BGDIJLHGHMTPEN-YWPYICTPSA-N 2 0 343.428 -1.727 20 0 EAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833289 794192511 /nfs/dbraw/zinc/19/25/11/794192511.db2.gz BGDIJLHGHMTPEN-ZOWXZIJZSA-N 2 0 343.428 -1.727 20 0 EAADRP O=C(CNC1CC[NH2+]CC1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833290 794192575 /nfs/dbraw/zinc/19/25/75/794192575.db2.gz BGFOJSXYMJVCBD-BBRMVZONSA-N 2 0 326.441 -1.161 20 0 EAADRP O=C(CNC1CC[NH2+]CC1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833291 794192240 /nfs/dbraw/zinc/19/22/40/794192240.db2.gz BGFOJSXYMJVCBD-CJNGLKHVSA-N 2 0 326.441 -1.161 20 0 EAADRP O=C(CNC1CC[NH2+]CC1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833292 794192238 /nfs/dbraw/zinc/19/22/38/794192238.db2.gz BGFOJSXYMJVCBD-CZUORRHYSA-N 2 0 326.441 -1.161 20 0 EAADRP O=C(CNC1CC[NH2+]CC1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833293 794192280 /nfs/dbraw/zinc/19/22/80/794192280.db2.gz BGFOJSXYMJVCBD-XJKSGUPXSA-N 2 0 326.441 -1.161 20 0 EAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219833691 794191855 /nfs/dbraw/zinc/19/18/55/794191855.db2.gz GQHYIVNZHOWBJQ-HDEZJCGLSA-N 3 0 338.452 -1.303 20 0 EAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219833692 794191843 /nfs/dbraw/zinc/19/18/43/794191843.db2.gz GQHYIVNZHOWBJQ-MUIFIZLQSA-N 3 0 338.452 -1.303 20 0 EAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219833693 794192216 /nfs/dbraw/zinc/19/22/16/794192216.db2.gz GQHYIVNZHOWBJQ-TXCZRRACSA-N 3 0 338.452 -1.303 20 0 EAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219833694 794192409 /nfs/dbraw/zinc/19/24/09/794192409.db2.gz GQHYIVNZHOWBJQ-XOSAIJSUSA-N 3 0 338.452 -1.303 20 0 EAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219834163 794192187 /nfs/dbraw/zinc/19/21/87/794192187.db2.gz OPOHMMVGSLDPFP-JAAXMTQOSA-N 2 0 325.409 -1.125 20 0 EAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219834164 794192149 /nfs/dbraw/zinc/19/21/49/794192149.db2.gz OPOHMMVGSLDPFP-JTTNIQEDSA-N 2 0 325.409 -1.125 20 0 EAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219834165 794192370 /nfs/dbraw/zinc/19/23/70/794192370.db2.gz OPOHMMVGSLDPFP-SGPHBRAGSA-N 2 0 325.409 -1.125 20 0 EAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219834222 794192472 /nfs/dbraw/zinc/19/24/72/794192472.db2.gz OPOHMMVGSLDPFP-ZHMBSYLPSA-N 2 0 325.409 -1.125 20 0 EAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219834483 794191980 /nfs/dbraw/zinc/19/19/80/794191980.db2.gz QLHJRVDIULKCQL-BZPMIXESSA-N 2 0 332.408 -1.007 20 0 EAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219834695 794192463 /nfs/dbraw/zinc/19/24/63/794192463.db2.gz SFXCQYHORGNJGK-CLWVCHIJSA-N 2 0 325.409 -1.266 20 0 EAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219834696 794192181 /nfs/dbraw/zinc/19/21/81/794192181.db2.gz SFXCQYHORGNJGK-SDADXPQNSA-N 2 0 325.409 -1.266 20 0 EAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219834697 794192435 /nfs/dbraw/zinc/19/24/35/794192435.db2.gz SFXCQYHORGNJGK-UGQVUOCMSA-N 2 0 325.409 -1.266 20 0 EAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219834698 794192303 /nfs/dbraw/zinc/19/23/03/794192303.db2.gz SFXCQYHORGNJGK-VRKREXBASA-N 2 0 325.409 -1.266 20 0 EAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219834892 794191928 /nfs/dbraw/zinc/19/19/28/794191928.db2.gz UFIJXBNKSQYKMT-DETPVDSQSA-N 2 0 338.408 -2.024 20 0 EAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219834893 794192191 /nfs/dbraw/zinc/19/21/91/794192191.db2.gz UFIJXBNKSQYKMT-FFSVYQOJSA-N 2 0 338.408 -2.024 20 0 EAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219834894 794191821 /nfs/dbraw/zinc/19/18/21/794191821.db2.gz UFIJXBNKSQYKMT-PVXIVEMSSA-N 2 0 338.408 -2.024 20 0 EAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219834895 794192275 /nfs/dbraw/zinc/19/22/75/794192275.db2.gz UFIJXBNKSQYKMT-RBOXIYTFSA-N 2 0 338.408 -2.024 20 0 EAADRP C[C@]1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]C[C@@H]1O ZINC001219834913 794192295 /nfs/dbraw/zinc/19/22/95/794192295.db2.gz ULRVJHOSKILFTI-BFJAYTPKSA-N 2 0 327.425 -1.142 20 0 EAADRP C[C@]1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]C[C@H]1O ZINC001219834914 794192290 /nfs/dbraw/zinc/19/22/90/794192290.db2.gz ULRVJHOSKILFTI-LUYZLQTOSA-N 2 0 327.425 -1.142 20 0 EAADRP C[C@]1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]C[C@H]1O ZINC001219834915 794192179 /nfs/dbraw/zinc/19/21/79/794192179.db2.gz ULRVJHOSKILFTI-VDERGJSUSA-N 2 0 327.425 -1.142 20 0 EAADRP C[C@]1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]C[C@@H]1O ZINC001219834916 794192325 /nfs/dbraw/zinc/19/23/25/794192325.db2.gz ULRVJHOSKILFTI-VRKREXBASA-N 2 0 327.425 -1.142 20 0 EAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834940 794192333 /nfs/dbraw/zinc/19/23/33/794192333.db2.gz VHJXMEYFFTZVFW-DUVNUKRYSA-N 2 0 337.424 -1.199 20 0 EAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834941 794192597 /nfs/dbraw/zinc/19/25/97/794192597.db2.gz VHJXMEYFFTZVFW-INWMFGNUSA-N 2 0 337.424 -1.199 20 0 EAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834942 794192193 /nfs/dbraw/zinc/19/21/93/794192193.db2.gz VHJXMEYFFTZVFW-IVMMDQJWSA-N 2 0 337.424 -1.199 20 0 EAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834943 794192267 /nfs/dbraw/zinc/19/22/67/794192267.db2.gz VHJXMEYFFTZVFW-NOLJZWGESA-N 2 0 337.424 -1.199 20 0 EAADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834958 794192244 /nfs/dbraw/zinc/19/22/44/794192244.db2.gz VUVKBEICNMZXKE-HUBLWGQQSA-N 2 0 329.397 -1.222 20 0 EAADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834959 794192183 /nfs/dbraw/zinc/19/21/83/794192183.db2.gz VUVKBEICNMZXKE-SLEUVZQESA-N 2 0 329.397 -1.222 20 0 EAADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834960 794192175 /nfs/dbraw/zinc/19/21/75/794192175.db2.gz VUVKBEICNMZXKE-TYNCELHUSA-N 2 0 329.397 -1.222 20 0 EAADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834961 794192250 /nfs/dbraw/zinc/19/22/50/794192250.db2.gz VUVKBEICNMZXKE-XUJVJEKNSA-N 2 0 329.397 -1.222 20 0 EAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219835078 794192221 /nfs/dbraw/zinc/19/22/21/794192221.db2.gz WDTPNVXQEQHNDF-OJKRMQCYSA-N 2 0 325.409 -1.268 20 0 EAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219835079 794192229 /nfs/dbraw/zinc/19/22/29/794192229.db2.gz WDTPNVXQEQHNDF-QKDZRIPBSA-N 2 0 325.409 -1.268 20 0 EAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219835080 794192242 /nfs/dbraw/zinc/19/22/42/794192242.db2.gz WDTPNVXQEQHNDF-SSZWKKLZSA-N 2 0 325.409 -1.268 20 0 EAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219835081 794192119 /nfs/dbraw/zinc/19/21/19/794192119.db2.gz WDTPNVXQEQHNDF-XYFZXANASA-N 2 0 325.409 -1.268 20 0 EAADRP CCOC(=O)C1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C[NH2+]C1 ZINC001219836869 794193303 /nfs/dbraw/zinc/19/33/03/794193303.db2.gz FWGVLEWVYJAQBB-DOMZBBRYSA-N 2 0 341.408 -1.350 20 0 EAADRP CCOC(=O)C1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C[NH2+]C1 ZINC001219836870 794193515 /nfs/dbraw/zinc/19/35/15/794193515.db2.gz FWGVLEWVYJAQBB-IUODEOHRSA-N 2 0 341.408 -1.350 20 0 EAADRP CCOC(=O)C1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C[NH2+]C1 ZINC001219836871 794193049 /nfs/dbraw/zinc/19/30/49/794193049.db2.gz FWGVLEWVYJAQBB-SWLSCSKDSA-N 2 0 341.408 -1.350 20 0 EAADRP CCOC(=O)C1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C[NH2+]C1 ZINC001219836872 794193184 /nfs/dbraw/zinc/19/31/84/794193184.db2.gz FWGVLEWVYJAQBB-WFASDCNBSA-N 2 0 341.408 -1.350 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837276 794193455 /nfs/dbraw/zinc/19/34/55/794193455.db2.gz ITVDEQPCTXCIMV-DYEKYZERSA-N 3 0 332.470 -1.483 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837277 794193450 /nfs/dbraw/zinc/19/34/50/794193450.db2.gz ITVDEQPCTXCIMV-MBNYWOFBSA-N 3 0 332.470 -1.483 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837278 794193471 /nfs/dbraw/zinc/19/34/71/794193471.db2.gz ITVDEQPCTXCIMV-OBJOEFQTSA-N 3 0 332.470 -1.483 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837279 794193134 /nfs/dbraw/zinc/19/31/34/794193134.db2.gz ITVDEQPCTXCIMV-SGMGOOAPSA-N 3 0 332.470 -1.483 20 0 EAADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001219838492 794193457 /nfs/dbraw/zinc/19/34/57/794193457.db2.gz QWKJKWYXWJFPRO-DUVNUKRYSA-N 3 0 326.441 -1.175 20 0 EAADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001219838493 794193420 /nfs/dbraw/zinc/19/34/20/794193420.db2.gz QWKJKWYXWJFPRO-INWMFGNUSA-N 3 0 326.441 -1.175 20 0 EAADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001219838494 794193272 /nfs/dbraw/zinc/19/32/72/794193272.db2.gz QWKJKWYXWJFPRO-IVMMDQJWSA-N 3 0 326.441 -1.175 20 0 EAADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001219838495 794193437 /nfs/dbraw/zinc/19/34/37/794193437.db2.gz QWKJKWYXWJFPRO-NOLJZWGESA-N 3 0 326.441 -1.175 20 0 EAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838524 794193492 /nfs/dbraw/zinc/19/34/92/794193492.db2.gz RIIPOHRTSITFSY-IJCNEDTMSA-N 2 0 333.454 -1.406 20 0 EAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838525 794193360 /nfs/dbraw/zinc/19/33/60/794193360.db2.gz RIIPOHRTSITFSY-PINYTWQYSA-N 2 0 333.454 -1.406 20 0 EAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838526 794193352 /nfs/dbraw/zinc/19/33/52/794193352.db2.gz RIIPOHRTSITFSY-SLHUMEIXSA-N 2 0 333.454 -1.406 20 0 EAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838527 794193242 /nfs/dbraw/zinc/19/32/42/794193242.db2.gz RIIPOHRTSITFSY-UQWATSJYSA-N 2 0 333.454 -1.406 20 0 EAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838608 794193193 /nfs/dbraw/zinc/19/31/93/794193193.db2.gz SGNAETUPTDWALN-DVOMOZLQSA-N 2 0 340.424 -1.634 20 0 EAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838609 794193512 /nfs/dbraw/zinc/19/35/12/794193512.db2.gz SGNAETUPTDWALN-HEHGZKQESA-N 2 0 340.424 -1.634 20 0 EAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838610 794193265 /nfs/dbraw/zinc/19/32/65/794193265.db2.gz SGNAETUPTDWALN-WWGRRREGSA-N 2 0 340.424 -1.634 20 0 EAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838611 794193215 /nfs/dbraw/zinc/19/32/15/794193215.db2.gz SGNAETUPTDWALN-XEZPLFJOSA-N 2 0 340.424 -1.634 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838668 794193486 /nfs/dbraw/zinc/19/34/86/794193486.db2.gz STNWFLVAXRUDJR-ASHKBJFXSA-N 2 0 344.412 -2.678 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838669 794193402 /nfs/dbraw/zinc/19/34/02/794193402.db2.gz STNWFLVAXRUDJR-JUFZMCDQSA-N 2 0 344.412 -2.678 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838670 794193202 /nfs/dbraw/zinc/19/32/02/794193202.db2.gz STNWFLVAXRUDJR-OXIQGZBJSA-N 2 0 344.412 -2.678 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838671 794193476 /nfs/dbraw/zinc/19/34/76/794193476.db2.gz STNWFLVAXRUDJR-OZTPJHRESA-N 2 0 344.412 -2.678 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838740 794193121 /nfs/dbraw/zinc/19/31/21/794193121.db2.gz UDHHGHUHUZAQON-ASHKBJFXSA-N 2 0 328.413 -1.650 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838741 794193440 /nfs/dbraw/zinc/19/34/40/794193440.db2.gz UDHHGHUHUZAQON-JUFZMCDQSA-N 2 0 328.413 -1.650 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838742 794193462 /nfs/dbraw/zinc/19/34/62/794193462.db2.gz UDHHGHUHUZAQON-OHTBPHCPSA-N 2 0 328.413 -1.650 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838743 794193218 /nfs/dbraw/zinc/19/32/18/794193218.db2.gz UDHHGHUHUZAQON-UUIJZJDISA-N 2 0 328.413 -1.650 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838744 794193379 /nfs/dbraw/zinc/19/33/79/794193379.db2.gz UDVLNLZMVDTVOS-AYDFFVQHSA-N 2 0 341.408 -1.351 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838745 794193500 /nfs/dbraw/zinc/19/35/00/794193500.db2.gz UDVLNLZMVDTVOS-CTASWTNQSA-N 2 0 341.408 -1.351 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838746 794193095 /nfs/dbraw/zinc/19/30/95/794193095.db2.gz UDVLNLZMVDTVOS-HLPPOEQASA-N 2 0 341.408 -1.351 20 0 EAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838747 794193480 /nfs/dbraw/zinc/19/34/80/794193480.db2.gz UDVLNLZMVDTVOS-TTZDDIAXSA-N 2 0 341.408 -1.351 20 0 EAADRP NC(=O)CC[C@H]([NH3+])CC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838800 794193484 /nfs/dbraw/zinc/19/34/84/794193484.db2.gz USFXSGWAOFHMON-HUBLWGQQSA-N 2 0 328.413 -1.519 20 0 EAADRP NC(=O)CC[C@H]([NH3+])CC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838801 794193523 /nfs/dbraw/zinc/19/35/23/794193523.db2.gz USFXSGWAOFHMON-SLEUVZQESA-N 2 0 328.413 -1.519 20 0 EAADRP NC(=O)CC[C@H]([NH3+])CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838802 794192962 /nfs/dbraw/zinc/19/29/62/794192962.db2.gz USFXSGWAOFHMON-TYNCELHUSA-N 2 0 328.413 -1.519 20 0 EAADRP NC(=O)CC[C@H]([NH3+])CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838803 794193000 /nfs/dbraw/zinc/19/30/00/794193000.db2.gz USFXSGWAOFHMON-XUJVJEKNSA-N 2 0 328.413 -1.519 20 0 EAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839054 794193175 /nfs/dbraw/zinc/19/31/75/794193175.db2.gz XJNFEVQIBHABEL-DVOMOZLQSA-N 2 0 340.424 -1.553 20 0 EAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839057 794193409 /nfs/dbraw/zinc/19/34/09/794193409.db2.gz XJNFEVQIBHABEL-HEHGZKQESA-N 2 0 340.424 -1.553 20 0 EAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839058 794192934 /nfs/dbraw/zinc/19/29/34/794192934.db2.gz XJNFEVQIBHABEL-WWGRRREGSA-N 2 0 340.424 -1.553 20 0 EAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839060 794193324 /nfs/dbraw/zinc/19/33/24/794193324.db2.gz XJNFEVQIBHABEL-XEZPLFJOSA-N 2 0 340.424 -1.553 20 0 EAADRP [NH3+]CCOCCOCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839480 794193417 /nfs/dbraw/zinc/19/34/17/794193417.db2.gz ZYDIKOKIYJRBCJ-DZGCQCFKSA-N 2 0 331.413 -1.510 20 0 EAADRP [NH3+]CCOCCOCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839485 794193406 /nfs/dbraw/zinc/19/34/06/794193406.db2.gz ZYDIKOKIYJRBCJ-HIFRSBDPSA-N 2 0 331.413 -1.510 20 0 EAADRP [NH3+]CCOCCOCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839486 794193485 /nfs/dbraw/zinc/19/34/85/794193485.db2.gz ZYDIKOKIYJRBCJ-UKRRQHHQSA-N 2 0 331.413 -1.510 20 0 EAADRP [NH3+]CCOCCOCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839487 794193415 /nfs/dbraw/zinc/19/34/15/794193415.db2.gz ZYDIKOKIYJRBCJ-ZFWWWQNUSA-N 2 0 331.413 -1.510 20 0 EAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219847650 794196803 /nfs/dbraw/zinc/19/68/03/794196803.db2.gz NOZZWEDITQOZJJ-MROQNXINSA-N 2 0 347.423 -1.440 20 0 EAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219847651 794196752 /nfs/dbraw/zinc/19/67/52/794196752.db2.gz NOZZWEDITQOZJJ-ZDEQEGDKSA-N 2 0 347.423 -1.440 20 0 EAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219847798 794196127 /nfs/dbraw/zinc/19/61/27/794196127.db2.gz SNZKIDUICLDGGW-FIQHERPVSA-N 2 0 329.422 -1.601 20 0 EAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219847799 794196492 /nfs/dbraw/zinc/19/64/92/794196492.db2.gz SNZKIDUICLDGGW-NOOOWODRSA-N 2 0 329.422 -1.601 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219849700 794196424 /nfs/dbraw/zinc/19/64/24/794196424.db2.gz FXJTXIXJEPFWGO-ZJQBRPOHSA-N 2 0 342.440 -1.119 20 0 EAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219849723 794196533 /nfs/dbraw/zinc/19/65/33/794196533.db2.gz GYGPPDMTVKXLTH-WUHRBBMRSA-N 2 0 343.449 -1.496 20 0 EAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219849724 794197692 /nfs/dbraw/zinc/19/76/92/794197692.db2.gz GYGPPDMTVKXLTH-ZDEQEGDKSA-N 2 0 343.449 -1.496 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C(N)=O ZINC001219850027 794197467 /nfs/dbraw/zinc/19/74/67/794197467.db2.gz LOVLFKKZVVJOMW-HKLXJQGRSA-N 2 0 341.412 -2.281 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)COC1(C)C ZINC001219850166 794197834 /nfs/dbraw/zinc/19/78/34/794197834.db2.gz MTTVRBGOYPVBJM-PJSNJIKXSA-N 2 0 340.424 -1.067 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219850370 794197686 /nfs/dbraw/zinc/19/76/86/794197686.db2.gz RLIXGGDQFPYIAV-VGBILLHSSA-N 2 0 327.385 -2.671 20 0 EAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219850422 794197792 /nfs/dbraw/zinc/19/77/92/794197792.db2.gz SWTGUBSXKPKEMQ-IGQOVBAYSA-N 2 0 336.436 -1.157 20 0 EAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219850424 794197647 /nfs/dbraw/zinc/19/76/47/794197647.db2.gz SWTGUBSXKPKEMQ-XDQVBPFNSA-N 2 0 336.436 -1.157 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852186 794197283 /nfs/dbraw/zinc/19/72/83/794197283.db2.gz NOKZVTIZSXYXJT-UHFZAUJKSA-N 2 0 341.412 -2.566 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852381 794197810 /nfs/dbraw/zinc/19/78/10/794197810.db2.gz QQLBDKMLVAOGGL-CYUUQNCZSA-N 3 0 325.457 -1.523 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852385 794197947 /nfs/dbraw/zinc/19/79/47/794197947.db2.gz QQLBDKMLVAOGGL-SPWCGHHHSA-N 3 0 325.457 -1.523 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852703 794197480 /nfs/dbraw/zinc/19/74/80/794197480.db2.gz XOBQIGPZIWWYEQ-SDDRHHMPSA-N 2 0 334.442 -2.053 20 0 EAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852724 794197390 /nfs/dbraw/zinc/19/73/90/794197390.db2.gz XZMNHSVNCNJTKA-ZDEQEGDKSA-N 2 0 330.454 -1.119 20 0 EAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219854434 794198174 /nfs/dbraw/zinc/19/81/74/794198174.db2.gz IMUXTKSTBAVNEX-NOOOWODRSA-N 2 0 333.396 -1.973 20 0 EAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219854436 794197748 /nfs/dbraw/zinc/19/77/48/794197748.db2.gz IMUXTKSTBAVNEX-WISYIIOYSA-N 2 0 333.396 -1.973 20 0 EAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219854485 794197703 /nfs/dbraw/zinc/19/77/03/794197703.db2.gz KBVRFOGBGVWXAE-FVCCEPFGSA-N 2 0 343.449 -1.496 20 0 EAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219854486 794197573 /nfs/dbraw/zinc/19/75/73/794197573.db2.gz KBVRFOGBGVWXAE-MROQNXINSA-N 2 0 343.449 -1.496 20 0 EAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854646 794197890 /nfs/dbraw/zinc/19/78/90/794197890.db2.gz OEPRIVTWJBEESF-UVLXDEKHSA-N 2 0 348.407 -1.583 20 0 EAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219854720 794197677 /nfs/dbraw/zinc/19/76/77/794197677.db2.gz RDAJVOOYTGATMB-FVCCEPFGSA-N 2 0 332.408 -1.368 20 0 EAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219854721 794197802 /nfs/dbraw/zinc/19/78/02/794197802.db2.gz RDAJVOOYTGATMB-MROQNXINSA-N 2 0 332.408 -1.368 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)COC1(C)C ZINC001219856344 794199667 /nfs/dbraw/zinc/19/96/67/794199667.db2.gz JBCPSEKOQRNPME-KZZRWZIVSA-N 2 0 326.397 -1.600 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C(N)=O ZINC001219856372 794198900 /nfs/dbraw/zinc/19/89/00/794198900.db2.gz KJPMYQIQLBTAMW-UNQZSWDGSA-N 2 0 327.385 -2.813 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856491 794199701 /nfs/dbraw/zinc/19/97/01/794199701.db2.gz OUUINDRMZBMCSN-NOOOWODRSA-N 2 0 328.413 -1.652 20 0 EAADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856620 794199216 /nfs/dbraw/zinc/19/92/16/794199216.db2.gz UPTAXZLXAPQTDW-CBBWQLFWSA-N 2 0 332.404 -1.224 20 0 EAADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856678 794199724 /nfs/dbraw/zinc/19/97/24/794199724.db2.gz WXTXGEKFYMQQEM-CBBWQLFWSA-N 2 0 332.404 -1.224 20 0 EAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC[NH3+] ZINC001219872504 794202050 /nfs/dbraw/zinc/20/20/50/794202050.db2.gz IZZVDCLZNZMJAP-AVGNSLFASA-N 2 0 341.456 -1.070 20 0 EAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCC[NH3+] ZINC001219872649 794201930 /nfs/dbraw/zinc/20/19/30/794201930.db2.gz SBMOMEKXOFPXHK-RYUDHWBXSA-N 2 0 327.429 -1.540 20 0 EAADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219874098 794202793 /nfs/dbraw/zinc/20/27/93/794202793.db2.gz ZBLTXXNHTUXGBI-KGLIPLIRSA-N 2 0 329.441 -1.112 20 0 EAADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O)[NH+](C)C ZINC001219874992 794202006 /nfs/dbraw/zinc/20/20/06/794202006.db2.gz MPNRFMJXFSLPDA-KFWWJZLASA-N 2 0 344.456 -1.359 20 0 EAADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877360 794203154 /nfs/dbraw/zinc/20/31/54/794203154.db2.gz BTWPXXZZBYNVDU-MCIONIFRSA-N 2 0 329.441 -1.113 20 0 EAADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877361 794202561 /nfs/dbraw/zinc/20/25/61/794202561.db2.gz BTWPXXZZBYNVDU-MJBXVCDLSA-N 2 0 329.441 -1.113 20 0 EAADRP Cn1cc2c(n1)[C@H](CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)OCC2 ZINC001219887168 794204838 /nfs/dbraw/zinc/20/48/38/794204838.db2.gz AHJCYFSSTKSVRH-KBPBESRZSA-N 2 0 336.440 -1.100 20 0 EAADRP Cn1cc2c(n1)[C@H](CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)OCC2 ZINC001219887169 794204783 /nfs/dbraw/zinc/20/47/83/794204783.db2.gz AHJCYFSSTKSVRH-KGLIPLIRSA-N 2 0 336.440 -1.100 20 0 EAADRP Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)OCC2 ZINC001219887170 794204870 /nfs/dbraw/zinc/20/48/70/794204870.db2.gz AHJCYFSSTKSVRH-UONOGXRCSA-N 2 0 336.440 -1.100 20 0 EAADRP Cn1cc2c(n1)[C@@H](CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)OCC2 ZINC001219887171 794205526 /nfs/dbraw/zinc/20/55/26/794205526.db2.gz AHJCYFSSTKSVRH-ZIAGYGMSSA-N 2 0 336.440 -1.100 20 0 EAADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC001219902986 794210318 /nfs/dbraw/zinc/21/03/18/794210318.db2.gz OXXDCFOPFMUAEB-OLZOCXBDSA-N 2 0 341.456 -1.097 20 0 EAADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903300 794210422 /nfs/dbraw/zinc/21/04/22/794210422.db2.gz XRANHRPCKMVZMF-UTUOFQBUSA-N 2 0 340.424 -1.317 20 0 EAADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903301 794209659 /nfs/dbraw/zinc/20/96/59/794209659.db2.gz XRANHRPCKMVZMF-WOPDTQHZSA-N 2 0 340.424 -1.317 20 0 EAADRP CN(CCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910716 794209276 /nfs/dbraw/zinc/20/92/76/794209276.db2.gz PPWYAZKQGWHAEW-ILXRZTDVSA-N 2 0 347.419 -1.042 20 0 EAADRP CN(CCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910717 794210118 /nfs/dbraw/zinc/21/01/18/794210118.db2.gz PPWYAZKQGWHAEW-KFWWJZLASA-N 2 0 347.419 -1.042 20 0 EAADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219915869 794211626 /nfs/dbraw/zinc/21/16/26/794211626.db2.gz COSXFAYCRBKBQT-SRVKXCTJSA-N 2 0 327.429 -1.493 20 0 EAADRP C[C@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219915871 794212270 /nfs/dbraw/zinc/21/22/70/794212270.db2.gz COSXFAYCRBKBQT-WOPDTQHZSA-N 2 0 327.429 -1.493 20 0 EAADRP C[C@H](C[NH+](C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219916418 794212323 /nfs/dbraw/zinc/21/23/23/794212323.db2.gz VJZMLRUTTXRGKN-SECBINFHSA-N 2 0 330.389 -3.640 20 0 EAADRP C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219916419 794212235 /nfs/dbraw/zinc/21/22/35/794212235.db2.gz VJZMLRUTTXRGKN-VIFPVBQESA-N 2 0 330.389 -3.640 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001219918426 794211858 /nfs/dbraw/zinc/21/18/58/794211858.db2.gz LOEBTQAQZNQTMF-STQMWFEESA-N 3 0 329.445 -1.868 20 0 EAADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NCC[NH2+]CCO ZINC001219918568 794211832 /nfs/dbraw/zinc/21/18/32/794211832.db2.gz NIBFDXGSVJMSAP-VIFPVBQESA-N 2 0 328.335 -1.139 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001219918781 794211576 /nfs/dbraw/zinc/21/15/76/794211576.db2.gz QWLABACXRKOWFE-STQMWFEESA-N 2 0 344.456 -1.182 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[NH2+]CCO ZINC001219918850 794211285 /nfs/dbraw/zinc/21/12/85/794211285.db2.gz SQJHCBNQIOROAG-QWRGUYRKSA-N 2 0 329.401 -2.861 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219932849 794214806 /nfs/dbraw/zinc/21/48/06/794214806.db2.gz BHZAGFGQIMBVNB-FZMZJTMJSA-N 2 0 349.435 -1.011 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)c1ccncc1 ZINC001219938996 794216597 /nfs/dbraw/zinc/21/65/97/794216597.db2.gz NKPQHXPQTPCBMI-AWEZNQCLSA-N 2 0 334.424 -1.322 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)c1ccncc1 ZINC001219938997 794216296 /nfs/dbraw/zinc/21/62/96/794216296.db2.gz NKPQHXPQTPCBMI-CQSZACIVSA-N 2 0 334.424 -1.322 20 0 EAADRP CCC[NH+]1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001219954603 794220308 /nfs/dbraw/zinc/22/03/08/794220308.db2.gz MJCXAWLLSNTCAC-JQWIXIFHSA-N 2 0 327.429 -1.316 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959566 794220825 /nfs/dbraw/zinc/22/08/25/794220825.db2.gz YWZGPJRSNMMZKX-AGIUHOORSA-N 2 0 339.440 -1.172 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959567 794221292 /nfs/dbraw/zinc/22/12/92/794221292.db2.gz YWZGPJRSNMMZKX-AVGNSLFASA-N 2 0 339.440 -1.172 20 0 EAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)CN1 ZINC001219965633 794223016 /nfs/dbraw/zinc/22/30/16/794223016.db2.gz VIQVIUMIXSHIPL-AGIUHOORSA-N 2 0 340.424 -1.541 20 0 EAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)CN1 ZINC001219965634 794223630 /nfs/dbraw/zinc/22/36/30/794223630.db2.gz VIQVIUMIXSHIPL-FRRDWIJNSA-N 2 0 340.424 -1.541 20 0 EAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CN1 ZINC001219967580 794223181 /nfs/dbraw/zinc/22/31/81/794223181.db2.gz AWSHEDKOYIJIFB-RDBSUJKOSA-N 2 0 348.403 -1.308 20 0 EAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CN1 ZINC001219967969 794222905 /nfs/dbraw/zinc/22/29/05/794222905.db2.gz QVHIQSMQXPJEPS-VWYCJHECSA-N 2 0 344.412 -1.735 20 0 EAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])CN1 ZINC001219968125 794222453 /nfs/dbraw/zinc/22/24/53/794222453.db2.gz WOCMFRFKAGRWOT-RDBSUJKOSA-N 2 0 348.403 -1.308 20 0 EAADRP CCn1c(N)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(=O)n(CC)c1=O ZINC001219971840 794223894 /nfs/dbraw/zinc/22/38/94/794223894.db2.gz CIAZHFBFVGAGLL-QMMMGPOBSA-N 2 0 344.441 -1.410 20 0 EAADRP CCn1c(N)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(=O)n(CC)c1=O ZINC001219971937 794224115 /nfs/dbraw/zinc/22/41/15/794224115.db2.gz GIFYODGTWJIYKV-JTQLQIEISA-N 2 0 338.412 -1.103 20 0 EAADRP CCn1c(N)c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(=O)n(CC)c1=O ZINC001219971941 794224702 /nfs/dbraw/zinc/22/47/02/794224702.db2.gz GIFYODGTWJIYKV-SNVBAGLBSA-N 2 0 338.412 -1.103 20 0 EAADRP CCn1c(N)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(=O)n(CC)c1=O ZINC001219972823 794224328 /nfs/dbraw/zinc/22/43/28/794224328.db2.gz XBHDKAPVEWCRDJ-SECBINFHSA-N 2 0 336.396 -1.621 20 0 EAADRP CCn1c(N)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(=O)n(CC)c1=O ZINC001219972824 794224071 /nfs/dbraw/zinc/22/40/71/794224071.db2.gz XBHDKAPVEWCRDJ-VIFPVBQESA-N 2 0 336.396 -1.621 20 0 EAADRP COC(=O)C1(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219998884 794227538 /nfs/dbraw/zinc/22/75/38/794227538.db2.gz FBVPPJYCWAUSNU-LLVKDONJSA-N 2 0 338.408 -1.486 20 0 EAADRP COC(=O)C1(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219998885 794226634 /nfs/dbraw/zinc/22/66/34/794226634.db2.gz FBVPPJYCWAUSNU-NSHDSACASA-N 2 0 338.408 -1.486 20 0 EAADRP COC(=O)C1(NC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC[NH2+]CC1 ZINC001219999164 794226929 /nfs/dbraw/zinc/22/69/29/794226929.db2.gz LXVMXVRUVFARBF-JTQLQIEISA-N 2 0 345.421 -1.826 20 0 EAADRP COC(=O)C1(NC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC[NH2+]CC1 ZINC001219999165 794226700 /nfs/dbraw/zinc/22/67/00/794226700.db2.gz LXVMXVRUVFARBF-SNVBAGLBSA-N 2 0 345.421 -1.826 20 0 EAADRP COC(=O)C1(NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC[NH2+]CC1 ZINC001220000978 794228197 /nfs/dbraw/zinc/22/81/97/794228197.db2.gz AVNQZFROHMGFES-UHFFFAOYSA-N 2 0 336.414 -2.382 20 0 EAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001025 794229196 /nfs/dbraw/zinc/22/91/96/794229196.db2.gz DDAULHBFOCILKO-GHMZBOCLSA-N 2 0 327.381 -1.204 20 0 EAADRP COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CC[NH2+]CC1 ZINC001220001052 794228883 /nfs/dbraw/zinc/22/88/83/794228883.db2.gz FLFOQSRPBGMBIN-QWRGUYRKSA-N 2 0 326.397 -1.264 20 0 EAADRP COC(=O)C1(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC[NH2+]CC1 ZINC001220001075 794228284 /nfs/dbraw/zinc/22/82/84/794228284.db2.gz GTYQCJFWXCQANL-NSHDSACASA-N 2 0 326.397 -1.262 20 0 EAADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CSCNC(C)=O)CC[NH2+]CC1 ZINC001220001232 794229090 /nfs/dbraw/zinc/22/90/90/794229090.db2.gz MMHYIASSHPRLAK-JTQLQIEISA-N 2 0 332.426 -1.448 20 0 EAADRP COC(=O)C1(NC(=O)c2cnc(N3CC[NH2+]CC3)cn2)CC[NH2+]CC1 ZINC001220001260 794228739 /nfs/dbraw/zinc/22/87/39/794228739.db2.gz NVVFDQSNRVQHFM-UHFFFAOYSA-N 2 0 348.407 -1.089 20 0 EAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001374 794228375 /nfs/dbraw/zinc/22/83/75/794228375.db2.gz QESYWBWYOXHKIW-JQWIXIFHSA-N 2 0 328.413 -1.113 20 0 EAADRP COC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC[NH2+]CC1 ZINC001220001538 794228533 /nfs/dbraw/zinc/22/85/33/794228533.db2.gz RUBMJTBNIUHRIH-NSHDSACASA-N 2 0 328.413 -1.113 20 0 EAADRP COC(=O)C1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[NH2+]CC1 ZINC001220001743 794229142 /nfs/dbraw/zinc/22/91/42/794229142.db2.gz WMMXZRRNGUOCAT-IUCAKERBSA-N 2 0 343.384 -2.895 20 0 EAADRP COC(=O)C1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC001220001847 794228412 /nfs/dbraw/zinc/22/84/12/794228412.db2.gz YNFCQVLBRRVBCL-GFCCVEGCSA-N 3 0 327.429 -1.852 20 0 EAADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC001220001848 794229034 /nfs/dbraw/zinc/22/90/34/794229034.db2.gz YNFCQVLBRRVBCL-LBPRGKRZSA-N 3 0 327.429 -1.852 20 0 EAADRP COC(=O)C1(NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)CC[NH2+]CC1 ZINC001220001849 794229158 /nfs/dbraw/zinc/22/91/58/794229158.db2.gz YNPLAWWAZMHJKH-NSHDSACASA-N 2 0 328.413 -1.113 20 0 EAADRP CCOC(=O)c1nnc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001220011587 794230630 /nfs/dbraw/zinc/23/06/30/794230630.db2.gz ZJOREKJKFOKXEX-JTQLQIEISA-N 2 0 340.384 -1.387 20 0 EAADRP CCOC(=O)c1nnc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001220011588 794230160 /nfs/dbraw/zinc/23/01/60/794230160.db2.gz ZJOREKJKFOKXEX-SNVBAGLBSA-N 2 0 340.384 -1.387 20 0 EAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220020367 794230370 /nfs/dbraw/zinc/23/03/70/794230370.db2.gz GLGVXFKTHWCPPV-STQMWFEESA-N 3 0 349.439 -1.091 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020512 794231001 /nfs/dbraw/zinc/23/10/01/794231001.db2.gz LKEXXZZRAPSGHS-ONGXEEELSA-N 2 0 349.395 -2.084 20 0 EAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220020653 794229723 /nfs/dbraw/zinc/22/97/23/794229723.db2.gz QKKZILNFLSEGPJ-LLVKDONJSA-N 2 0 339.421 -1.124 20 0 EAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220020654 794230265 /nfs/dbraw/zinc/23/02/65/794230265.db2.gz QKKZILNFLSEGPJ-NSHDSACASA-N 2 0 339.421 -1.124 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220022801 794229890 /nfs/dbraw/zinc/22/98/90/794229890.db2.gz MCMLCWLCDCIQOB-QMMMGPOBSA-N 2 0 347.466 -1.294 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220024781 794232140 /nfs/dbraw/zinc/23/21/40/794232140.db2.gz BJCNGXHIGDGESC-FXQIFTODSA-N 2 0 327.410 -1.690 20 0 EAADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CCOCC1 ZINC001220028132 794231256 /nfs/dbraw/zinc/23/12/56/794231256.db2.gz LJKOXFVMHMIRJG-KBPBESRZSA-N 2 0 342.440 -1.179 20 0 EAADRP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CCOCC1 ZINC001220028133 794232607 /nfs/dbraw/zinc/23/26/07/794232607.db2.gz LJKOXFVMHMIRJG-KGLIPLIRSA-N 2 0 342.440 -1.179 20 0 EAADRP CCOC(=O)C(=CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OCC ZINC001220041240 794232584 /nfs/dbraw/zinc/23/25/84/794232584.db2.gz DQNSBLJFNWJGPU-LLVKDONJSA-N 2 0 325.365 -1.078 20 0 EAADRP CCOC(=O)C(=CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OCC ZINC001220041241 794231349 /nfs/dbraw/zinc/23/13/49/794231349.db2.gz DQNSBLJFNWJGPU-NSHDSACASA-N 2 0 325.365 -1.078 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045093 794233978 /nfs/dbraw/zinc/23/39/78/794233978.db2.gz LUBIUNJZGUVNIC-JQWIXIFHSA-N 2 0 348.407 -1.479 20 0 EAADRP C[NH2+]CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220055891 794235738 /nfs/dbraw/zinc/23/57/38/794235738.db2.gz GOOOOONLFCWAAX-STQMWFEESA-N 2 0 341.456 -1.279 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220066047 794236337 /nfs/dbraw/zinc/23/63/37/794236337.db2.gz OOKHNERNABRGLD-LLVKDONJSA-N 2 0 336.396 -1.027 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220066048 794237717 /nfs/dbraw/zinc/23/77/17/794237717.db2.gz OOKHNERNABRGLD-NSHDSACASA-N 2 0 336.396 -1.027 20 0 EAADRP C[NH2+]CCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220077654 794240701 /nfs/dbraw/zinc/24/07/01/794240701.db2.gz RPPNSXQMRXFQSR-RYUDHWBXSA-N 2 0 327.429 -1.443 20 0 EAADRP Cc1ncc(CO)c(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1O ZINC001220092932 794241920 /nfs/dbraw/zinc/24/19/20/794241920.db2.gz JOKWSVCKPXBUFQ-AWEZNQCLSA-N 2 0 337.424 -1.045 20 0 EAADRP Cc1ncc(CO)c(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1O ZINC001220092933 794242065 /nfs/dbraw/zinc/24/20/65/794242065.db2.gz JOKWSVCKPXBUFQ-CQSZACIVSA-N 2 0 337.424 -1.045 20 0 EAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220101423 794244128 /nfs/dbraw/zinc/24/41/28/794244128.db2.gz MTPKRZUHSGYMGS-LLVKDONJSA-N 3 0 345.469 -1.138 20 0 EAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220101424 794243103 /nfs/dbraw/zinc/24/31/03/794243103.db2.gz MTPKRZUHSGYMGS-NSHDSACASA-N 3 0 345.469 -1.138 20 0 EAADRP CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103261 794243593 /nfs/dbraw/zinc/24/35/93/794243593.db2.gz MQINWUKSRKEULN-JTQLQIEISA-N 2 0 330.433 -1.294 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])COC1(C)C ZINC001220103467 794244074 /nfs/dbraw/zinc/24/40/74/794244074.db2.gz SNUXWAVDMMXWKM-UWVGGRQHSA-N 3 0 328.417 -1.242 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106590 794245120 /nfs/dbraw/zinc/24/51/20/794245120.db2.gz TWVANFLPRWIIIQ-IUCAKERBSA-N 2 0 344.441 -1.816 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001220106683 794245416 /nfs/dbraw/zinc/24/54/16/794245416.db2.gz XTYQICCOBRAABS-CBAPKCEASA-N 2 0 338.343 -1.240 20 0 EAADRP CCC(CO)(CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220109488 794245141 /nfs/dbraw/zinc/24/51/41/794245141.db2.gz BVEKAGUSVSNVPD-STQMWFEESA-N 2 0 344.456 -1.317 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220150168 794253324 /nfs/dbraw/zinc/25/33/24/794253324.db2.gz SMOZYYIIKBXOLS-YFKTTZPYSA-N 2 0 325.413 -1.706 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(C[NH3+])COC1 ZINC001220154570 794254435 /nfs/dbraw/zinc/25/44/35/794254435.db2.gz UYEINBDLXMMVIV-RYUDHWBXSA-N 3 0 327.429 -1.722 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220156609 794254878 /nfs/dbraw/zinc/25/48/78/794254878.db2.gz CKBQFZOOYDEKGM-UWVGGRQHSA-N 2 0 327.385 -2.715 20 0 EAADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1(C[NH3+])COC1 ZINC001220156825 794255044 /nfs/dbraw/zinc/25/50/44/794255044.db2.gz MIOOWPBFGZNPQI-AWEZNQCLSA-N 2 0 345.403 -1.002 20 0 EAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(C[NH3+])COC1 ZINC001220157011 794255501 /nfs/dbraw/zinc/25/55/01/794255501.db2.gz UAPQCIDGSFNWOG-RYUDHWBXSA-N 2 0 342.440 -1.036 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220158564 794255666 /nfs/dbraw/zinc/25/56/66/794255666.db2.gz AZOSWFRQKITBCO-AVGNSLFASA-N 2 0 339.440 -1.349 20 0 EAADRP C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001220159710 794254772 /nfs/dbraw/zinc/25/47/72/794254772.db2.gz RFJUEZJFESTYNA-JTQLQIEISA-N 2 0 342.400 -3.496 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161900 794254729 /nfs/dbraw/zinc/25/47/29/794254729.db2.gz GMJKWMIKWNPOMG-BUWBCJGYSA-N 2 0 339.440 -1.268 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161901 794255201 /nfs/dbraw/zinc/25/52/01/794255201.db2.gz GMJKWMIKWNPOMG-CENBSLRLSA-N 2 0 339.440 -1.268 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161902 794254852 /nfs/dbraw/zinc/25/48/52/794254852.db2.gz GMJKWMIKWNPOMG-MEQWQQMJSA-N 2 0 339.440 -1.268 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161903 794255599 /nfs/dbraw/zinc/25/55/99/794255599.db2.gz GMJKWMIKWNPOMG-YWDSYVAPSA-N 2 0 339.440 -1.268 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220172825 794256226 /nfs/dbraw/zinc/25/62/26/794256226.db2.gz CADQOHQLTAFPIG-CHWSQXEVSA-N 2 0 328.413 -1.615 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220172826 794256154 /nfs/dbraw/zinc/25/61/54/794256154.db2.gz CADQOHQLTAFPIG-OLZOCXBDSA-N 2 0 328.413 -1.615 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220172827 794256813 /nfs/dbraw/zinc/25/68/13/794256813.db2.gz CADQOHQLTAFPIG-QWHCGFSZSA-N 2 0 328.413 -1.615 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220172828 794256040 /nfs/dbraw/zinc/25/60/40/794256040.db2.gz CADQOHQLTAFPIG-STQMWFEESA-N 2 0 328.413 -1.615 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(CCO)COC1 ZINC001220173746 794256915 /nfs/dbraw/zinc/25/69/15/794256915.db2.gz SIZRRZSQRVRPSC-STQMWFEESA-N 2 0 342.440 -1.299 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181279 794258451 /nfs/dbraw/zinc/25/84/51/794258451.db2.gz HSSFCZUSXSRTEM-XUXIUFHCSA-N 2 0 342.440 -1.300 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1(N2CCCC2)COC1 ZINC001220197527 794258879 /nfs/dbraw/zinc/25/88/79/794258879.db2.gz IIFBZESDQYVCJQ-AWEZNQCLSA-N 2 0 325.457 -1.282 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1(N2CCCC2)COC1 ZINC001220197528 794258236 /nfs/dbraw/zinc/25/82/36/794258236.db2.gz IIFBZESDQYVCJQ-CQSZACIVSA-N 2 0 325.457 -1.282 20 0 EAADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220200303 794260474 /nfs/dbraw/zinc/26/04/74/794260474.db2.gz GRNDVZMGRGNVRO-AWEZNQCLSA-N 2 0 326.441 -1.066 20 0 EAADRP COCCC[NH+]1CCC(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220200304 794260294 /nfs/dbraw/zinc/26/02/94/794260294.db2.gz GRNDVZMGRGNVRO-CQSZACIVSA-N 2 0 326.441 -1.066 20 0 EAADRP COCCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001220200731 794260354 /nfs/dbraw/zinc/26/03/54/794260354.db2.gz STENPTVNOLGHKC-AAEUAGOBSA-N 2 0 330.429 -1.572 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202284 794260495 /nfs/dbraw/zinc/26/04/95/794260495.db2.gz AHALMXFYEZEBRG-AGIUHOORSA-N 2 0 339.440 -1.314 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202285 794260388 /nfs/dbraw/zinc/26/03/88/794260388.db2.gz AHALMXFYEZEBRG-AVGNSLFASA-N 2 0 339.440 -1.314 20 0 EAADRP CCOC(=O)CC1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)COC1 ZINC001220217147 794261570 /nfs/dbraw/zinc/26/15/70/794261570.db2.gz NHPUBHRHJOQPCP-GFCCVEGCSA-N 2 0 328.413 -1.425 20 0 EAADRP CCOC(=O)CC1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)COC1 ZINC001220217148 794261956 /nfs/dbraw/zinc/26/19/56/794261956.db2.gz NHPUBHRHJOQPCP-LBPRGKRZSA-N 2 0 328.413 -1.425 20 0 EAADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220220530 794261129 /nfs/dbraw/zinc/26/11/29/794261129.db2.gz UCIGAWIEQZQCOG-AHDPXTMNSA-N 2 0 329.441 -1.115 20 0 EAADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220220531 794261740 /nfs/dbraw/zinc/26/17/40/794261740.db2.gz UCIGAWIEQZQCOG-LXFSFDBISA-N 2 0 329.441 -1.115 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220220723 794262118 /nfs/dbraw/zinc/26/21/18/794262118.db2.gz CEGMXJNXLHVJTR-BJDJZHNGSA-N 2 0 327.429 -1.317 20 0 EAADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220233637 794265364 /nfs/dbraw/zinc/26/53/64/794265364.db2.gz DKPNSJUIYGVUMN-KFWWJZLASA-N 2 0 339.440 -1.253 20 0 EAADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220233638 794264805 /nfs/dbraw/zinc/26/48/05/794264805.db2.gz DKPNSJUIYGVUMN-ZNMIVQPWSA-N 2 0 339.440 -1.253 20 0 EAADRP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237436 794264698 /nfs/dbraw/zinc/26/46/98/794264698.db2.gz WHSFMCHAUUQBFB-CABCVRRESA-N 2 0 344.456 -1.358 20 0 EAADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238414 794265600 /nfs/dbraw/zinc/26/56/00/794265600.db2.gz VLCHCLVBGQSUTN-KFWWJZLASA-N 2 0 347.456 -1.487 20 0 EAADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238415 794266165 /nfs/dbraw/zinc/26/61/65/794266165.db2.gz VLCHCLVBGQSUTN-ZNMIVQPWSA-N 2 0 347.456 -1.487 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220273272 794273677 /nfs/dbraw/zinc/27/36/77/794273677.db2.gz GAKOGKKTNBRTIU-MCIONIFRSA-N 2 0 325.413 -1.643 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220273273 794273383 /nfs/dbraw/zinc/27/33/83/794273383.db2.gz GAKOGKKTNBRTIU-MJBXVCDLSA-N 2 0 325.413 -1.643 20 0 EAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220276576 794274598 /nfs/dbraw/zinc/27/45/98/794274598.db2.gz FTLXHVJWOAOLNG-NEPJUHHUSA-N 2 0 341.412 -1.959 20 0 EAADRP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276666 794275757 /nfs/dbraw/zinc/27/57/57/794275757.db2.gz HAYVIYODEKNHFC-KGLIPLIRSA-N 2 0 330.429 -1.748 20 0 EAADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277380 794275181 /nfs/dbraw/zinc/27/51/81/794275181.db2.gz YOBXUPDSWIXLOF-MCIONIFRSA-N 2 0 333.429 -1.877 20 0 EAADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277381 794274443 /nfs/dbraw/zinc/27/44/43/794274443.db2.gz YOBXUPDSWIXLOF-MJBXVCDLSA-N 2 0 333.429 -1.877 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1OCCO1 ZINC001220288657 794275031 /nfs/dbraw/zinc/27/50/31/794275031.db2.gz DZHUHCKIWOHTLG-RYUDHWBXSA-N 2 0 328.413 -1.077 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1COC(=O)C1 ZINC001220296621 794274314 /nfs/dbraw/zinc/27/43/14/794274314.db2.gz UEAPOQGDJSGHAO-WOPDTQHZSA-N 2 0 326.397 -1.135 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220306088 794277136 /nfs/dbraw/zinc/27/71/36/794277136.db2.gz BODRNBYCTBUVFF-RYUDHWBXSA-N 2 0 342.444 -2.553 20 0 EAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220306469 794276879 /nfs/dbraw/zinc/27/68/79/794276879.db2.gz LGZMVQBVYFYILK-HNNXBMFYSA-N 3 0 326.489 -1.510 20 0 EAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220306470 794276513 /nfs/dbraw/zinc/27/65/13/794276513.db2.gz LGZMVQBVYFYILK-OAHLLOKOSA-N 3 0 326.489 -1.510 20 0 EAADRP C[N@@H+]1CCCN(CCNC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001220307055 794276444 /nfs/dbraw/zinc/27/64/44/794276444.db2.gz RIOOBRDCJUFIRS-UHFFFAOYSA-N 2 0 335.474 -2.040 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312661 794276385 /nfs/dbraw/zinc/27/63/85/794276385.db2.gz ASSDOMRVJCSXID-CYBMUJFWSA-N 3 0 335.456 -1.257 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312662 794276908 /nfs/dbraw/zinc/27/69/08/794276908.db2.gz ASSDOMRVJCSXID-ZDUSSCGKSA-N 3 0 335.456 -1.257 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316813 794276836 /nfs/dbraw/zinc/27/68/36/794276836.db2.gz SZDDSKMCYFBKPY-AAEUAGOBSA-N 2 0 334.442 -1.766 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316819 794276450 /nfs/dbraw/zinc/27/64/50/794276450.db2.gz SZDDSKMCYFBKPY-DGCLKSJQSA-N 2 0 334.442 -1.766 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316820 794277203 /nfs/dbraw/zinc/27/72/03/794277203.db2.gz SZDDSKMCYFBKPY-WCQYABFASA-N 2 0 334.442 -1.766 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316821 794277120 /nfs/dbraw/zinc/27/71/20/794277120.db2.gz SZDDSKMCYFBKPY-YPMHNXCESA-N 2 0 334.442 -1.766 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321623 794277737 /nfs/dbraw/zinc/27/77/37/794277737.db2.gz WSKJZRDNTJEWTC-BQVMBELUSA-N 2 0 341.412 -2.279 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321624 794278553 /nfs/dbraw/zinc/27/85/53/794278553.db2.gz WSKJZRDNTJEWTC-DDIVZENXSA-N 2 0 341.412 -2.279 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321625 794278250 /nfs/dbraw/zinc/27/82/50/794278250.db2.gz WSKJZRDNTJEWTC-USXUVBGUSA-N 2 0 341.412 -2.279 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321626 794278411 /nfs/dbraw/zinc/27/84/11/794278411.db2.gz WSKJZRDNTJEWTC-VEABSNGSSA-N 2 0 341.412 -2.279 20 0 EAADRP NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220329509 794279945 /nfs/dbraw/zinc/27/99/45/794279945.db2.gz RCJIFWMTKQFIES-AXFHLTTASA-N 2 0 329.401 -2.604 20 0 EAADRP NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220329510 794279416 /nfs/dbraw/zinc/27/94/16/794279416.db2.gz RCJIFWMTKQFIES-DCAQKATOSA-N 2 0 329.401 -2.604 20 0 EAADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220335964 794279515 /nfs/dbraw/zinc/27/95/15/794279515.db2.gz ZNNAPYFCDQTGLC-AGIUHOORSA-N 2 0 341.456 -1.070 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001220335965 794279142 /nfs/dbraw/zinc/27/91/42/794279142.db2.gz ZNNAPYFCDQTGLC-AVGNSLFASA-N 2 0 341.456 -1.070 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC[NH+](C)CC1 ZINC001220346036 794281162 /nfs/dbraw/zinc/28/11/62/794281162.db2.gz WNMNGEPNVOHLAP-GFCCVEGCSA-N 2 0 340.424 -1.540 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC[NH+](C)CC1 ZINC001220346037 794280776 /nfs/dbraw/zinc/28/07/76/794280776.db2.gz WNMNGEPNVOHLAP-LBPRGKRZSA-N 2 0 340.424 -1.540 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC[NH+](C)CC1 ZINC001220346080 794280912 /nfs/dbraw/zinc/28/09/12/794280912.db2.gz XZRSYYNQHHXJKW-LLVKDONJSA-N 2 0 343.428 -1.094 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220377346 794286716 /nfs/dbraw/zinc/28/67/16/794286716.db2.gz TYFHNMRHSJSXTL-CABZTGNLSA-N 2 0 348.407 -1.473 20 0 EAADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O)[NH+](C)C ZINC001220380009 794286625 /nfs/dbraw/zinc/28/66/25/794286625.db2.gz MPNRFMJXFSLPDA-ILXRZTDVSA-N 2 0 344.456 -1.359 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220390036 794288783 /nfs/dbraw/zinc/28/87/83/794288783.db2.gz LLFUOLPDKJATMG-LBPRGKRZSA-N 2 0 340.453 -1.051 20 0 EAADRP O=C(NCc1ccc(N2CCOCC2)nn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220390280 794289513 /nfs/dbraw/zinc/28/95/13/794289513.db2.gz WQNNBAFYUMVEGL-CYBMUJFWSA-N 2 0 332.408 -1.262 20 0 EAADRP O=C(NCc1ccc(N2CCOCC2)nn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220390281 794288452 /nfs/dbraw/zinc/28/84/52/794288452.db2.gz WQNNBAFYUMVEGL-ZDUSSCGKSA-N 2 0 332.408 -1.262 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394660 794289221 /nfs/dbraw/zinc/28/92/21/794289221.db2.gz KZAOQKZJDWNMBC-QWRGUYRKSA-N 2 0 325.413 -1.704 20 0 EAADRP CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220417800 794292532 /nfs/dbraw/zinc/29/25/32/794292532.db2.gz AYLHWFOWYSAJFZ-SRVKXCTJSA-N 2 0 327.429 -1.316 20 0 EAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220428779 794295503 /nfs/dbraw/zinc/29/55/03/794295503.db2.gz FFUXMLRDPASSSV-NEPJUHHUSA-N 2 0 336.396 -1.582 20 0 EAADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220428780 794295553 /nfs/dbraw/zinc/29/55/53/794295553.db2.gz FFUXMLRDPASSSV-RYUDHWBXSA-N 2 0 336.396 -1.582 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220428906 794295861 /nfs/dbraw/zinc/29/58/61/794295861.db2.gz HHIVVZPKPFFHAV-IHRRRGAJSA-N 3 0 341.456 -1.462 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220428907 794295523 /nfs/dbraw/zinc/29/55/23/794295523.db2.gz HHIVVZPKPFFHAV-RDBSUJKOSA-N 3 0 341.456 -1.462 20 0 EAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220429306 794294961 /nfs/dbraw/zinc/29/49/61/794294961.db2.gz PBHAIUFDXLJZTP-NEPJUHHUSA-N 2 0 331.438 -1.495 20 0 EAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220429307 794295572 /nfs/dbraw/zinc/29/55/72/794295572.db2.gz PBHAIUFDXLJZTP-NWDGAFQWSA-N 2 0 331.438 -1.495 20 0 EAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220429308 794295590 /nfs/dbraw/zinc/29/55/90/794295590.db2.gz PBHAIUFDXLJZTP-RYUDHWBXSA-N 2 0 331.438 -1.495 20 0 EAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220429309 794296085 /nfs/dbraw/zinc/29/60/85/794296085.db2.gz PBHAIUFDXLJZTP-VXGBXAGGSA-N 2 0 331.438 -1.495 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431764 794295322 /nfs/dbraw/zinc/29/53/22/794295322.db2.gz PBTRNFQCYDFLAU-SRVKXCTJSA-N 2 0 341.412 -2.455 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431765 794295060 /nfs/dbraw/zinc/29/50/60/794295060.db2.gz PBTRNFQCYDFLAU-TUAOUCFPSA-N 2 0 341.412 -2.455 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)CCO ZINC001220448911 794297297 /nfs/dbraw/zinc/29/72/97/794297297.db2.gz BFGGPWXMDVOZSZ-STQMWFEESA-N 2 0 328.413 -1.499 20 0 EAADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220478509 794302661 /nfs/dbraw/zinc/30/26/61/794302661.db2.gz APWDFCVJPBHTJX-CABCVRRESA-N 2 0 329.441 -1.112 20 0 EAADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478854 794301480 /nfs/dbraw/zinc/30/14/80/794301480.db2.gz NKCBAAJKESSRFB-KFWWJZLASA-N 2 0 329.441 -1.113 20 0 EAADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478855 794302280 /nfs/dbraw/zinc/30/22/80/794302280.db2.gz NKCBAAJKESSRFB-ZNMIVQPWSA-N 2 0 329.441 -1.113 20 0 EAADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220479397 794302639 /nfs/dbraw/zinc/30/26/39/794302639.db2.gz JXOMMFIADPOSKB-NEPJUHHUSA-N 2 0 330.429 -1.444 20 0 EAADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220479398 794301969 /nfs/dbraw/zinc/30/19/69/794301969.db2.gz JXOMMFIADPOSKB-RYUDHWBXSA-N 2 0 330.429 -1.444 20 0 EAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001220481313 794302227 /nfs/dbraw/zinc/30/22/27/794302227.db2.gz CZQYTIZXRGXPIR-DSJMHWKBSA-N 3 0 343.472 -1.422 20 0 EAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001220481314 794302706 /nfs/dbraw/zinc/30/27/06/794302706.db2.gz CZQYTIZXRGXPIR-IXYNUQLISA-N 3 0 343.472 -1.422 20 0 EAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001220481315 794302369 /nfs/dbraw/zinc/30/23/69/794302369.db2.gz CZQYTIZXRGXPIR-KQTLUZQSSA-N 3 0 343.472 -1.422 20 0 EAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001220481316 794301592 /nfs/dbraw/zinc/30/15/92/794301592.db2.gz CZQYTIZXRGXPIR-NHIYQJMISA-N 3 0 343.472 -1.422 20 0 EAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])O1 ZINC001220481346 794301844 /nfs/dbraw/zinc/30/18/44/794301844.db2.gz DQTGBKQXPGIUEB-FUTJPDQTSA-N 2 0 328.413 -1.223 20 0 EAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])O1 ZINC001220481347 794301226 /nfs/dbraw/zinc/30/12/26/794301226.db2.gz DQTGBKQXPGIUEB-YFCNSXCBSA-N 2 0 328.413 -1.223 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481348 794302117 /nfs/dbraw/zinc/30/21/17/794302117.db2.gz DRGNMWJOVMPAKZ-MQYQWHSLSA-N 2 0 342.440 -1.612 20 0 EAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)O1 ZINC001220481606 794302626 /nfs/dbraw/zinc/30/26/26/794302626.db2.gz LDSFHAANALTGMO-BYNQJWBRSA-N 2 0 328.413 -1.842 20 0 EAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)O1 ZINC001220481607 794302068 /nfs/dbraw/zinc/30/20/68/794302068.db2.gz LDSFHAANALTGMO-FMCLSXCISA-N 2 0 328.413 -1.842 20 0 EAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)O1 ZINC001220481608 794302160 /nfs/dbraw/zinc/30/21/60/794302160.db2.gz LDSFHAANALTGMO-HKUMRIAESA-N 2 0 328.413 -1.842 20 0 EAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)O1 ZINC001220481609 794301945 /nfs/dbraw/zinc/30/19/45/794301945.db2.gz LDSFHAANALTGMO-SFTQSGBHSA-N 2 0 328.413 -1.842 20 0 EAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])CCCNC(N)=O)O1 ZINC001220481679 794302388 /nfs/dbraw/zinc/30/23/88/794302388.db2.gz NJYMFZBUGVMORO-PRULPYPASA-N 2 0 331.417 -1.397 20 0 EAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])CCCNC(N)=O)O1 ZINC001220481680 794301143 /nfs/dbraw/zinc/30/11/43/794301143.db2.gz NJYMFZBUGVMORO-UZWSLXQKSA-N 2 0 331.417 -1.397 20 0 EAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)O1 ZINC001220481845 794302608 /nfs/dbraw/zinc/30/26/08/794302608.db2.gz SVNPQDMSNCUQDI-MCSZRVDOSA-N 2 0 332.401 -2.348 20 0 EAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)O1 ZINC001220481846 794302091 /nfs/dbraw/zinc/30/20/91/794302091.db2.gz SVNPQDMSNCUQDI-PDNLZKNQSA-N 2 0 332.401 -2.348 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220496463 794302921 /nfs/dbraw/zinc/30/29/21/794302921.db2.gz CWMNRHUHTZLJDU-RYUDHWBXSA-N 2 0 339.440 -1.172 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]([NH3+])c1ccccc1)C(N)=O ZINC001220503871 794304790 /nfs/dbraw/zinc/30/47/90/794304790.db2.gz MGKLLWGBHWJGDN-CYZMBNFOSA-N 2 0 335.408 -1.100 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]([NH3+])c1ccccc1)C(N)=O ZINC001220503872 794304999 /nfs/dbraw/zinc/30/49/99/794304999.db2.gz MGKLLWGBHWJGDN-WCFLWFBJSA-N 2 0 335.408 -1.100 20 0 EAADRP COCCOCCOCCOCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220512718 794309346 /nfs/dbraw/zinc/30/93/46/794309346.db2.gz YPGMPXCNPGHFSE-AWEZNQCLSA-N 2 0 345.440 -1.392 20 0 EAADRP COCCOCCOCCOCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220512720 794308847 /nfs/dbraw/zinc/30/88/47/794308847.db2.gz YPGMPXCNPGHFSE-CQSZACIVSA-N 2 0 345.440 -1.392 20 0 EAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001220515730 794308978 /nfs/dbraw/zinc/30/89/78/794308978.db2.gz JBPGXKSVIQVTLQ-LBPRGKRZSA-N 2 0 337.428 -1.679 20 0 EAADRP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220516392 794309091 /nfs/dbraw/zinc/30/90/91/794309091.db2.gz VIXPMTYKBPZUAO-SECBINFHSA-N 2 0 338.368 -1.342 20 0 EAADRP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220516393 794309229 /nfs/dbraw/zinc/30/92/29/794309229.db2.gz VIXPMTYKBPZUAO-VIFPVBQESA-N 2 0 338.368 -1.342 20 0 EAADRP CN(CC[NH3+])CCNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220516543 794308937 /nfs/dbraw/zinc/30/89/37/794308937.db2.gz XJIMSTFVOLNKJM-GFCCVEGCSA-N 2 0 332.470 -1.593 20 0 EAADRP CN(CC[NH3+])CCNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220516544 794308575 /nfs/dbraw/zinc/30/85/75/794308575.db2.gz XJIMSTFVOLNKJM-LBPRGKRZSA-N 2 0 332.470 -1.593 20 0 EAADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220517297 794309538 /nfs/dbraw/zinc/30/95/38/794309538.db2.gz FULFBKFWYYYBGE-KBPBESRZSA-N 3 0 342.488 -1.560 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCN(C)CC[NH3+] ZINC001220517358 794308320 /nfs/dbraw/zinc/30/83/20/794308320.db2.gz IEJPYNVQDCPOGG-RYUDHWBXSA-N 2 0 342.444 -2.553 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCOCCOCC[NH3+])COC1(C)C ZINC001220519105 794308402 /nfs/dbraw/zinc/30/84/02/794308402.db2.gz BFLREBPYGPDWLG-RYUDHWBXSA-N 2 0 346.428 -1.595 20 0 EAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220519112 794308670 /nfs/dbraw/zinc/30/86/70/794308670.db2.gz BJKFQEDENHHNLF-GFCCVEGCSA-N 2 0 328.413 -1.790 20 0 EAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220519113 794308582 /nfs/dbraw/zinc/30/85/82/794308582.db2.gz BJKFQEDENHHNLF-LBPRGKRZSA-N 2 0 328.413 -1.790 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCOCCOCC[NH3+] ZINC001220519292 794308186 /nfs/dbraw/zinc/30/81/86/794308186.db2.gz JDNSNUFXIPCMNF-UHFFFAOYSA-N 2 0 326.419 -2.685 20 0 EAADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519329 794309077 /nfs/dbraw/zinc/30/90/77/794309077.db2.gz KGDGHHNERVXFLV-AWEZNQCLSA-N 2 0 338.408 -1.237 20 0 EAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220519372 794308592 /nfs/dbraw/zinc/30/85/92/794308592.db2.gz LXBWMUAMHWVTTG-LLVKDONJSA-N 2 0 335.426 -2.129 20 0 EAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220519373 794308250 /nfs/dbraw/zinc/30/82/50/794308250.db2.gz LXBWMUAMHWVTTG-NSHDSACASA-N 2 0 335.426 -2.129 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NCCOCCOCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220519580 794309438 /nfs/dbraw/zinc/30/94/38/794309438.db2.gz SRAHSVYGPXMCNH-AWEZNQCLSA-N 3 0 344.456 -1.453 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NCCOCCOCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220519581 794308962 /nfs/dbraw/zinc/30/89/62/794308962.db2.gz SRAHSVYGPXMCNH-CQSZACIVSA-N 3 0 344.456 -1.453 20 0 EAADRP [NH3+]CCOCCOCCNC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220519620 794308564 /nfs/dbraw/zinc/30/85/64/794308564.db2.gz VCYHZEHNFADWRN-UHFFFAOYSA-N 2 0 338.412 -1.392 20 0 EAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220519651 794308913 /nfs/dbraw/zinc/30/89/13/794308913.db2.gz WQCXDTPXGYWUAC-KBPBESRZSA-N 2 0 342.440 -1.163 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[NH2+]C1 ZINC001220522604 794310885 /nfs/dbraw/zinc/31/08/85/794310885.db2.gz AYEYGMXZGXVMKB-WPRPVWTQSA-N 2 0 328.369 -2.263 20 0 EAADRP CCOC(=O)C1=C(NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC[NH2+]C1 ZINC001220523624 794310174 /nfs/dbraw/zinc/31/01/74/794310174.db2.gz SDELGYRBTLOFRG-UHFFFAOYSA-N 2 0 348.425 -1.867 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001220524152 794311089 /nfs/dbraw/zinc/31/10/89/794311089.db2.gz YYOBQPMEFPIWMY-CYBMUJFWSA-N 3 0 339.440 -1.337 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001220524158 794310504 /nfs/dbraw/zinc/31/05/04/794310504.db2.gz YYOBQPMEFPIWMY-ZDUSSCGKSA-N 3 0 339.440 -1.337 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220574454 794323344 /nfs/dbraw/zinc/32/33/44/794323344.db2.gz BRDANOVYJQCQGJ-KFWWJZLASA-N 2 0 339.440 -1.253 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220574455 794322646 /nfs/dbraw/zinc/32/26/46/794322646.db2.gz BRDANOVYJQCQGJ-ZNMIVQPWSA-N 2 0 339.440 -1.253 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220583353 794324796 /nfs/dbraw/zinc/32/47/96/794324796.db2.gz VTFGTLKCSNLZGT-CABCVRRESA-N 2 0 344.456 -1.358 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220583354 794324132 /nfs/dbraw/zinc/32/41/32/794324132.db2.gz VTHWJFZEFSNTAM-KFWWJZLASA-N 2 0 347.456 -1.487 20 0 EAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220583356 794324466 /nfs/dbraw/zinc/32/44/66/794324466.db2.gz VTHWJFZEFSNTAM-ZNMIVQPWSA-N 2 0 347.456 -1.487 20 0 EAADRP CCOC(=O)CN(CC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220585220 794326070 /nfs/dbraw/zinc/32/60/70/794326070.db2.gz CCYUBMYSGNQOQC-NSHDSACASA-N 2 0 346.428 -1.405 20 0 EAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001220585360 794325152 /nfs/dbraw/zinc/32/51/52/794325152.db2.gz IKLRUWSLFPAXFL-QWRGUYRKSA-N 2 0 344.412 -1.353 20 0 EAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220585503 794325846 /nfs/dbraw/zinc/32/58/46/794325846.db2.gz NWKUAQJNHJOGKL-IUCAKERBSA-N 2 0 331.373 -2.956 20 0 EAADRP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(F)(F)F ZINC001220588307 794326056 /nfs/dbraw/zinc/32/60/56/794326056.db2.gz SJNWZUBZPMTKOI-BDAKNGLRSA-N 2 0 326.319 -1.043 20 0 EAADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(F)(F)F ZINC001220588311 794325617 /nfs/dbraw/zinc/32/56/17/794325617.db2.gz SJNWZUBZPMTKOI-DTWKUNHWSA-N 2 0 326.319 -1.043 20 0 EAADRP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(F)(F)F ZINC001220588313 794325257 /nfs/dbraw/zinc/32/52/57/794325257.db2.gz SJNWZUBZPMTKOI-IUCAKERBSA-N 2 0 326.319 -1.043 20 0 EAADRP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(F)(F)F ZINC001220588314 794325679 /nfs/dbraw/zinc/32/56/79/794325679.db2.gz SJNWZUBZPMTKOI-RKDXNWHRSA-N 2 0 326.319 -1.043 20 0 EAADRP CC(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220596770 794327645 /nfs/dbraw/zinc/32/76/45/794327645.db2.gz HOMIVUWKZMSVGI-KBPBESRZSA-N 2 0 339.440 -1.219 20 0 EAADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642683 794332604 /nfs/dbraw/zinc/33/26/04/794332604.db2.gz ILJQDTCGMLUGIE-CFVMTHIKSA-N 2 0 345.440 -1.734 20 0 EAADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642684 794332553 /nfs/dbraw/zinc/33/25/53/794332553.db2.gz ILJQDTCGMLUGIE-YUELXQCFSA-N 2 0 345.440 -1.734 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654272 794334651 /nfs/dbraw/zinc/33/46/51/794334651.db2.gz LIDWMCMCVJCOQS-JSGCOSHPSA-N 2 0 349.435 -1.463 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680676 794339327 /nfs/dbraw/zinc/33/93/27/794339327.db2.gz MQCKNXKJKXQSEZ-HGCLJGPKSA-N 2 0 325.413 -1.517 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(N)=O ZINC001220680761 794339368 /nfs/dbraw/zinc/33/93/68/794339368.db2.gz PXQQTDFQKABSCB-KIJLLGNVSA-N 2 0 339.440 -1.127 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220681422 794339308 /nfs/dbraw/zinc/33/93/08/794339308.db2.gz HVRAKBVBNQCXGP-KFWWJZLASA-N 2 0 339.440 -1.253 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220681423 794338369 /nfs/dbraw/zinc/33/83/69/794338369.db2.gz HVRAKBVBNQCXGP-ZNMIVQPWSA-N 2 0 339.440 -1.253 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220688793 794339529 /nfs/dbraw/zinc/33/95/29/794339529.db2.gz QKOVLKUKOZHSAZ-KFWWJZLASA-N 2 0 347.456 -1.487 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220688795 794339297 /nfs/dbraw/zinc/33/92/97/794339297.db2.gz QKOVLKUKOZHSAZ-ZNMIVQPWSA-N 2 0 347.456 -1.487 20 0 EAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220688994 794339404 /nfs/dbraw/zinc/33/94/04/794339404.db2.gz ZABQSGAOJDVBHF-CABCVRRESA-N 2 0 344.456 -1.358 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220714588 794344421 /nfs/dbraw/zinc/34/44/21/794344421.db2.gz RCEMQFIXXBCEDL-GWCFXTLKSA-N 2 0 348.407 -1.067 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001220716608 794344625 /nfs/dbraw/zinc/34/46/25/794344625.db2.gz LYQPXDKEXICIQR-NWBUJAPZSA-N 2 0 339.440 -1.175 20 0 EAADRP COC(=O)CC1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCOCC1 ZINC001220731290 794349459 /nfs/dbraw/zinc/34/94/59/794349459.db2.gz KISLIYCXACGETF-CYBMUJFWSA-N 2 0 342.440 -1.035 20 0 EAADRP COC(=O)CC1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCOCC1 ZINC001220731291 794348740 /nfs/dbraw/zinc/34/87/40/794348740.db2.gz KISLIYCXACGETF-ZDUSSCGKSA-N 2 0 342.440 -1.035 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220745807 794350031 /nfs/dbraw/zinc/35/00/31/794350031.db2.gz BSBVGODTBWXZSA-FZMZJTMJSA-N 2 0 335.408 -1.009 20 0 EAADRP O=C(NCCCN1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220756531 794353056 /nfs/dbraw/zinc/35/30/56/794353056.db2.gz FNOYHZIYYJMEIY-UKRRQHHQSA-N 2 0 344.481 -1.578 20 0 EAADRP O=C(NCCCN1CCS(=O)(=O)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220756826 794352895 /nfs/dbraw/zinc/35/28/95/794352895.db2.gz LFQZQKYOQIYICB-GFCCVEGCSA-N 2 0 330.454 -1.968 20 0 EAADRP O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220756827 794352396 /nfs/dbraw/zinc/35/23/96/794352396.db2.gz LFQZQKYOQIYICB-LBPRGKRZSA-N 2 0 330.454 -1.968 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756867 794352877 /nfs/dbraw/zinc/35/28/77/794352877.db2.gz MGHCCJAKOAPVIK-NSHDSACASA-N 2 0 338.499 -1.758 20 0 EAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220757115 794352913 /nfs/dbraw/zinc/35/29/13/794352913.db2.gz USHWRUVOAPYLDQ-ZDUSSCGKSA-N 2 0 334.486 -1.060 20 0 EAADRP [NH3+][C@@H](C(=O)NCCCN1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001220757293 794353626 /nfs/dbraw/zinc/35/36/26/794353626.db2.gz ZBXJMBPDYHDQFW-CYBMUJFWSA-N 2 0 332.470 -1.450 20 0 EAADRP [NH3+][C@H](C(=O)NCCCN1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001220757294 794352772 /nfs/dbraw/zinc/35/27/72/794352772.db2.gz ZBXJMBPDYHDQFW-ZDUSSCGKSA-N 2 0 332.470 -1.450 20 0 EAADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220764230 794354455 /nfs/dbraw/zinc/35/44/55/794354455.db2.gz DGSVNAOUBQERNZ-CABCVRRESA-N 2 0 339.440 -1.298 20 0 EAADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768273 794354576 /nfs/dbraw/zinc/35/45/76/794354576.db2.gz DMXHNCJKPHHNMU-CABCVRRESA-N 2 0 339.440 -1.298 20 0 EAADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220770630 794356937 /nfs/dbraw/zinc/35/69/37/794356937.db2.gz YGPYMVNAOKXING-AXAPSJFSSA-N 2 0 335.408 -1.181 20 0 EAADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220770631 794356826 /nfs/dbraw/zinc/35/68/26/794356826.db2.gz YGPYMVNAOKXING-PVXIVEMSSA-N 2 0 335.408 -1.181 20 0 EAADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220771990 794357395 /nfs/dbraw/zinc/35/73/95/794357395.db2.gz HMYYHHRPLDVXPS-QWRGUYRKSA-N 2 0 329.426 -1.360 20 0 EAADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220771991 794356193 /nfs/dbraw/zinc/35/61/93/794356193.db2.gz HMYYHHRPLDVXPS-WDEREUQCSA-N 2 0 329.426 -1.360 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220780257 794358086 /nfs/dbraw/zinc/35/80/86/794358086.db2.gz BDBJBUWWNWEELE-MISXLKTNSA-N 2 0 325.413 -1.386 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220794478 794360591 /nfs/dbraw/zinc/36/05/91/794360591.db2.gz QEQVVVYTFBPKKP-AHLTXXRQSA-N 2 0 335.408 -1.327 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220794479 794361134 /nfs/dbraw/zinc/36/11/34/794361134.db2.gz QEQVVVYTFBPKKP-DOERSZECSA-N 2 0 335.408 -1.327 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220794480 794360929 /nfs/dbraw/zinc/36/09/29/794360929.db2.gz QEQVVVYTFBPKKP-GHYVTOPFSA-N 2 0 335.408 -1.327 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220794481 794360609 /nfs/dbraw/zinc/36/06/09/794360609.db2.gz QEQVVVYTFBPKKP-PYJNHQTQSA-N 2 0 335.408 -1.327 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803679 794361850 /nfs/dbraw/zinc/36/18/50/794361850.db2.gz JZQIXLKHQVFCGT-JBDRJPRFSA-N 2 0 326.319 -1.533 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803680 794362285 /nfs/dbraw/zinc/36/22/85/794362285.db2.gz JZQIXLKHQVFCGT-KZVJFYERSA-N 2 0 326.319 -1.533 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803681 794362578 /nfs/dbraw/zinc/36/25/78/794362578.db2.gz JZQIXLKHQVFCGT-UYXSQOIJSA-N 2 0 326.319 -1.533 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803682 794361966 /nfs/dbraw/zinc/36/19/66/794361966.db2.gz JZQIXLKHQVFCGT-XSPKLOCKSA-N 2 0 326.319 -1.533 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220821627 794363504 /nfs/dbraw/zinc/36/35/04/794363504.db2.gz CIQUFHYEJVSSSQ-KFWWJZLASA-N 2 0 339.440 -1.253 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220821628 794364091 /nfs/dbraw/zinc/36/40/91/794364091.db2.gz CIQUFHYEJVSSSQ-ZNMIVQPWSA-N 2 0 339.440 -1.253 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220826929 794367453 /nfs/dbraw/zinc/36/74/53/794367453.db2.gz BZVNLHWVQIHPII-LLVKDONJSA-N 2 0 336.392 -1.361 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220826930 794366883 /nfs/dbraw/zinc/36/68/83/794366883.db2.gz BZVNLHWVQIHPII-NSHDSACASA-N 2 0 336.392 -1.361 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]C1 ZINC001220827640 794365693 /nfs/dbraw/zinc/36/56/93/794365693.db2.gz WGSILMRIKMUOQX-JTQLQIEISA-N 2 0 343.405 -1.700 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]C1 ZINC001220827641 794365772 /nfs/dbraw/zinc/36/57/72/794365772.db2.gz WGSILMRIKMUOQX-SNVBAGLBSA-N 2 0 343.405 -1.700 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CSCNC(C)=O)C[NH2+]C1 ZINC001220828074 794366185 /nfs/dbraw/zinc/36/61/85/794366185.db2.gz FVVLFQQLIHYFBC-JTQLQIEISA-N 2 0 330.410 -1.323 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220828663 794366753 /nfs/dbraw/zinc/36/67/53/794366753.db2.gz CXRPAMIZPUXMCW-CABCVRRESA-N 2 0 344.456 -1.358 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220829205 794367561 /nfs/dbraw/zinc/36/75/61/794367561.db2.gz NNJMDPVNAIOLGP-KFWWJZLASA-N 2 0 347.456 -1.487 20 0 EAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220829206 794367289 /nfs/dbraw/zinc/36/72/89/794367289.db2.gz NNJMDPVNAIOLGP-ZNMIVQPWSA-N 2 0 347.456 -1.487 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[NH2+]C1 ZINC001220829811 794365832 /nfs/dbraw/zinc/36/58/32/794365832.db2.gz AEXOELSUUDLDAM-CBAPKCEASA-N 2 0 341.368 -2.770 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220829822 794365712 /nfs/dbraw/zinc/36/57/12/794365712.db2.gz AQQKOGKFCBZTHC-GFCCVEGCSA-N 3 0 325.413 -1.727 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220829823 794366093 /nfs/dbraw/zinc/36/60/93/794366093.db2.gz AQQKOGKFCBZTHC-LBPRGKRZSA-N 3 0 325.413 -1.727 20 0 EAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(=O)OCC)C[NH2+]C1 ZINC001220830411 794366376 /nfs/dbraw/zinc/36/63/76/794366376.db2.gz WAVLULXMTCGQBX-NXEZZACHSA-N 2 0 325.365 -1.078 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220848606 794366352 /nfs/dbraw/zinc/36/63/52/794366352.db2.gz CMCGLFLSMFYWBR-JTQLQIEISA-N 2 0 349.395 -2.055 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220848607 794366557 /nfs/dbraw/zinc/36/65/57/794366557.db2.gz CMCGLFLSMFYWBR-SNVBAGLBSA-N 2 0 349.395 -2.055 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220849294 794365853 /nfs/dbraw/zinc/36/58/53/794365853.db2.gz YBTFXODFMFPAAZ-LLVKDONJSA-N 2 0 348.407 -1.450 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220849295 794366105 /nfs/dbraw/zinc/36/61/05/794366105.db2.gz YBTFXODFMFPAAZ-NSHDSACASA-N 2 0 348.407 -1.450 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001220850904 794368123 /nfs/dbraw/zinc/36/81/23/794368123.db2.gz AENLLGRCDDZAOR-GFCCVEGCSA-N 3 0 340.424 -1.540 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001220850905 794368179 /nfs/dbraw/zinc/36/81/79/794368179.db2.gz AENLLGRCDDZAOR-LBPRGKRZSA-N 3 0 340.424 -1.540 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C[NH2+]C1 ZINC001220851127 794369667 /nfs/dbraw/zinc/36/96/67/794369667.db2.gz ITSMVWGRXCPURE-QWRGUYRKSA-N 2 0 328.413 -1.114 20 0 EAADRP CCOC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C[NH2+]C1 ZINC001220851550 794369823 /nfs/dbraw/zinc/36/98/23/794369823.db2.gz ZXLOVRFWSDNOSX-RYUDHWBXSA-N 2 0 338.408 -1.249 20 0 EAADRP CCOC(=O)C1(NC(=O)c2cnc(N3CC[NH2+]CC3)cn2)C[NH2+]C1 ZINC001220852991 794368104 /nfs/dbraw/zinc/36/81/04/794368104.db2.gz GVJDEZSGZWSGHJ-UHFFFAOYSA-N 2 0 334.380 -1.479 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859899 794370927 /nfs/dbraw/zinc/37/09/27/794370927.db2.gz RIZACXVPTOTEOH-SRVKXCTJSA-N 2 0 341.456 -1.070 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865740 794370595 /nfs/dbraw/zinc/37/05/95/794370595.db2.gz JKACDPZYNVACRD-ZANVPECISA-N 2 0 346.391 -1.071 20 0 EAADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCCN1CCNCC1=O ZINC001220872172 794372708 /nfs/dbraw/zinc/37/27/08/794372708.db2.gz MSSXTSGHNFWGSD-AWEZNQCLSA-N 2 0 348.403 -1.005 20 0 EAADRP O=C(NCCN1CCNCC1=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220872350 794372119 /nfs/dbraw/zinc/37/21/19/794372119.db2.gz VLJWRYXLEJOZLR-AWEZNQCLSA-N 3 0 337.468 -1.002 20 0 EAADRP O=C(NCCN1CCNCC1=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220872351 794372822 /nfs/dbraw/zinc/37/28/22/794372822.db2.gz VLJWRYXLEJOZLR-CQSZACIVSA-N 3 0 337.468 -1.002 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NCCN2CCNCC2=O)OC2(CC[NH2+]CC2)C1 ZINC001220872552 794372495 /nfs/dbraw/zinc/37/24/95/794372495.db2.gz YPHNANIXLZFXRL-CYBMUJFWSA-N 3 0 339.440 -2.013 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NCCN2CCNCC2=O)OC2(CC[NH2+]CC2)C1 ZINC001220872553 794373083 /nfs/dbraw/zinc/37/30/83/794373083.db2.gz YPHNANIXLZFXRL-ZDUSSCGKSA-N 3 0 339.440 -2.013 20 0 EAADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCN1CCNCC1=O ZINC001220874390 794371919 /nfs/dbraw/zinc/37/19/19/794371919.db2.gz IBWXJAHXGYWKBF-AWEZNQCLSA-N 2 0 347.419 -1.779 20 0 EAADRP O=C(NCCOCCN1C(=O)C=CC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220876375 794374198 /nfs/dbraw/zinc/37/41/98/794374198.db2.gz JCAFQTZGVUKBBJ-MLGOLLRUSA-N 2 0 336.392 -1.757 20 0 EAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220876688 794374233 /nfs/dbraw/zinc/37/42/33/794374233.db2.gz NGEGVWRJIKXJEX-LBPRGKRZSA-N 2 0 326.397 -1.239 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878570 794374075 /nfs/dbraw/zinc/37/40/75/794374075.db2.gz IAOXVFYDTILXPJ-LBPRGKRZSA-N 2 0 326.397 -1.109 20 0 EAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878738 794374439 /nfs/dbraw/zinc/37/44/39/794374439.db2.gz OWABLFUFIIBGKM-JTQLQIEISA-N 2 0 330.410 -1.937 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889025 794378999 /nfs/dbraw/zinc/37/89/99/794378999.db2.gz AGSDHCLLUMLGKS-SRVKXCTJSA-N 2 0 325.413 -1.691 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889026 794378222 /nfs/dbraw/zinc/37/82/22/794378222.db2.gz AGSDHCLLUMLGKS-TUAOUCFPSA-N 2 0 325.413 -1.691 20 0 EAADRP [NH3+]CCN(CCNC(=O)[C@H]([NH3+])Cc1cccc(O)c1)N(O)N=O ZINC001220900249 794378305 /nfs/dbraw/zinc/37/83/05/794378305.db2.gz FMJSHIPLDOFZAX-GFCCVEGCSA-N 2 0 326.357 -1.074 20 0 EAADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])Cc1cccc(O)c1)N(O)N=O ZINC001220900250 794378100 /nfs/dbraw/zinc/37/81/00/794378100.db2.gz FMJSHIPLDOFZAX-LBPRGKRZSA-N 2 0 326.357 -1.074 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900564 794378896 /nfs/dbraw/zinc/37/88/96/794378896.db2.gz MTBFSXJRRRRKSM-UHFFFAOYSA-N 2 0 341.394 -3.129 20 0 EAADRP [NH3+]CCN(CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N(O)N=O ZINC001220900567 794379037 /nfs/dbraw/zinc/37/90/37/794379037.db2.gz MTWYCLLDRDYOLL-LLVKDONJSA-N 3 0 329.405 -1.475 20 0 EAADRP [NH3+]CCN(CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N(O)N=O ZINC001220900568 794378712 /nfs/dbraw/zinc/37/87/12/794378712.db2.gz MTWYCLLDRDYOLL-NSHDSACASA-N 3 0 329.405 -1.475 20 0 EAADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900574 794377793 /nfs/dbraw/zinc/37/77/93/794377793.db2.gz NABDDYNXARVWMT-QWRGUYRKSA-N 2 0 347.420 -1.471 20 0 EAADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220901229 794379323 /nfs/dbraw/zinc/37/93/23/794379323.db2.gz UOULBUFHYUPUGH-JTQLQIEISA-N 2 0 348.404 -1.029 20 0 EAADRP [NH3+]CCN(CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O)N(O)N=O ZINC001220901452 794379216 /nfs/dbraw/zinc/37/92/16/794379216.db2.gz ZTFOXZQCRHWYLT-JTQLQIEISA-N 2 0 331.377 -2.009 20 0 EAADRP N[C@H](C[NH3+])c1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc1 ZINC001220902827 794377813 /nfs/dbraw/zinc/37/78/13/794377813.db2.gz BMRYIVICWCUBHI-GFCCVEGCSA-N 2 0 325.373 -1.077 20 0 EAADRP N[C@@H](C[NH3+])c1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc1 ZINC001220902828 794378368 /nfs/dbraw/zinc/37/83/68/794378368.db2.gz BMRYIVICWCUBHI-LBPRGKRZSA-N 2 0 325.373 -1.077 20 0 EAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902871 794378139 /nfs/dbraw/zinc/37/81/39/794378139.db2.gz DHYBUOZIKWHEKB-ONGXEEELSA-N 2 0 333.393 -1.860 20 0 EAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902972 794379051 /nfs/dbraw/zinc/37/90/51/794379051.db2.gz HDURGZAALHHPGI-JTQLQIEISA-N 2 0 333.393 -1.860 20 0 EAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903084 794377874 /nfs/dbraw/zinc/37/78/74/794377874.db2.gz KOKAYVQHUJDEOJ-NSHDSACASA-N 2 0 333.393 -1.715 20 0 EAADRP [NH3+]CCN(CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)N(O)N=O ZINC001220903177 794377771 /nfs/dbraw/zinc/37/77/71/794377771.db2.gz OKFAJGJRNVJQEA-LLVKDONJSA-N 3 0 332.409 -2.599 20 0 EAADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)N(O)N=O ZINC001220903178 794379068 /nfs/dbraw/zinc/37/90/68/794379068.db2.gz OKFAJGJRNVJQEA-NSHDSACASA-N 3 0 332.409 -2.599 20 0 EAADRP CS(=O)(=O)N1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001220923542 794382370 /nfs/dbraw/zinc/38/23/70/794382370.db2.gz IGZOHGWODADNOC-UKRRQHHQSA-N 2 0 344.481 -1.027 20 0 EAADRP CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220924444 794383546 /nfs/dbraw/zinc/38/35/46/794383546.db2.gz SPBBOAGZJASEKJ-GFCCVEGCSA-N 2 0 330.454 -1.417 20 0 EAADRP CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220924445 794382263 /nfs/dbraw/zinc/38/22/63/794382263.db2.gz SPBBOAGZJASEKJ-LBPRGKRZSA-N 2 0 330.454 -1.417 20 0 EAADRP CS(=O)(=O)N1CCC(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001220926558 794381724 /nfs/dbraw/zinc/38/17/24/794381724.db2.gz REKJBCZKAVZNRS-NSHDSACASA-N 2 0 338.499 -1.207 20 0 EAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930906 794383299 /nfs/dbraw/zinc/38/32/99/794383299.db2.gz UWSGSEGAALBATE-HAQNSBGRSA-N 2 0 348.469 -1.296 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCCO[C@H]1CC[NH2+]C1)C(N)=O ZINC001220935984 794385979 /nfs/dbraw/zinc/38/59/79/794385979.db2.gz BQYIAJWZXQCLLQ-GARJFASQSA-N 2 0 329.401 -2.421 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCCO[C@@H]1CC[NH2+]C1)C(N)=O ZINC001220935985 794385862 /nfs/dbraw/zinc/38/58/62/794385862.db2.gz BQYIAJWZXQCLLQ-HBNTYKKESA-N 2 0 329.401 -2.421 20 0 EAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220936121 794387190 /nfs/dbraw/zinc/38/71/90/794387190.db2.gz CQILAAVGPLMPPB-NEPJUHHUSA-N 2 0 335.412 -1.581 20 0 EAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220936124 794387303 /nfs/dbraw/zinc/38/73/03/794387303.db2.gz CQILAAVGPLMPPB-NWDGAFQWSA-N 2 0 335.412 -1.581 20 0 EAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220936126 794386836 /nfs/dbraw/zinc/38/68/36/794386836.db2.gz CQILAAVGPLMPPB-RYUDHWBXSA-N 2 0 335.412 -1.581 20 0 EAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220936127 794387243 /nfs/dbraw/zinc/38/72/43/794387243.db2.gz CQILAAVGPLMPPB-VXGBXAGGSA-N 2 0 335.412 -1.581 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)COC1(C)C ZINC001220937431 794386342 /nfs/dbraw/zinc/38/63/42/794386342.db2.gz RGRGWFPWERCBRY-SRVKXCTJSA-N 2 0 328.413 -1.208 20 0 EAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)COC1(C)C ZINC001220937432 794387444 /nfs/dbraw/zinc/38/74/44/794387444.db2.gz RGRGWFPWERCBRY-TUAOUCFPSA-N 2 0 328.413 -1.208 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NCCO[C@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937533 794386516 /nfs/dbraw/zinc/38/65/16/794386516.db2.gz UTANYCNLKNGQEN-KBPBESRZSA-N 3 0 326.441 -1.066 20 0 EAADRP C[N@@H+]1C[C@@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937534 794387253 /nfs/dbraw/zinc/38/72/53/794387253.db2.gz UTANYCNLKNGQEN-KGLIPLIRSA-N 3 0 326.441 -1.066 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937535 794386315 /nfs/dbraw/zinc/38/63/15/794386315.db2.gz UTANYCNLKNGQEN-UONOGXRCSA-N 3 0 326.441 -1.066 20 0 EAADRP C[N@@H+]1C[C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937536 794386656 /nfs/dbraw/zinc/38/66/56/794386656.db2.gz UTANYCNLKNGQEN-ZIAGYGMSSA-N 3 0 326.441 -1.066 20 0 EAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220937632 794385681 /nfs/dbraw/zinc/38/56/81/794385681.db2.gz WPOYBQXRPRMRRF-CHWSQXEVSA-N 2 0 345.465 -1.105 20 0 EAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220937633 794385716 /nfs/dbraw/zinc/38/57/16/794385716.db2.gz WPOYBQXRPRMRRF-OLZOCXBDSA-N 2 0 345.465 -1.105 20 0 EAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220937634 794386377 /nfs/dbraw/zinc/38/63/77/794386377.db2.gz WPOYBQXRPRMRRF-QWHCGFSZSA-N 2 0 345.465 -1.105 20 0 EAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220937635 794387182 /nfs/dbraw/zinc/38/71/82/794387182.db2.gz WPOYBQXRPRMRRF-STQMWFEESA-N 2 0 345.465 -1.105 20 0 EAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220950778 794389878 /nfs/dbraw/zinc/38/98/78/794389878.db2.gz FXVZVMPUATWMHJ-STQMWFEESA-N 3 0 349.439 -1.091 20 0 EAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220951224 794391168 /nfs/dbraw/zinc/39/11/68/794391168.db2.gz UJGAPSLRDUKQCM-LLVKDONJSA-N 2 0 339.421 -1.124 20 0 EAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220951225 794391243 /nfs/dbraw/zinc/39/12/43/794391243.db2.gz UJGAPSLRDUKQCM-NSHDSACASA-N 2 0 339.421 -1.124 20 0 EAADRP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975984 794392176 /nfs/dbraw/zinc/39/21/76/794392176.db2.gz DKGDSFQWRJPRGK-KFWWJZLASA-N 2 0 342.440 -1.748 20 0 EAADRP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975985 794392579 /nfs/dbraw/zinc/39/25/79/794392579.db2.gz DKGDSFQWRJPRGK-ZNMIVQPWSA-N 2 0 342.440 -1.748 20 0 EAADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006839 794402164 /nfs/dbraw/zinc/40/21/64/794402164.db2.gz NHQNFCGNGZNFAI-AVGNSLFASA-N 2 0 328.413 -1.018 20 0 EAADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)CC1 ZINC001221007132 794403118 /nfs/dbraw/zinc/40/31/18/794403118.db2.gz WXFVJSNYEMJAPR-HDJSIYSDSA-N 2 0 325.457 -1.003 20 0 EAADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001221007138 794402747 /nfs/dbraw/zinc/40/27/47/794402747.db2.gz XFFLVBUVDVGQQM-IHRRRGAJSA-N 3 0 337.468 -1.099 20 0 EAADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001221007139 794402726 /nfs/dbraw/zinc/40/27/26/794402726.db2.gz XFFLVBUVDVGQQM-MGPQQGTHSA-N 3 0 337.468 -1.099 20 0 EAADRP COC(=O)CC[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001221018670 794404056 /nfs/dbraw/zinc/40/40/56/794404056.db2.gz HMJHXFCJGDMAHF-QWRGUYRKSA-N 2 0 326.397 -1.216 20 0 EAADRP COC(=O)CC[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001221018671 794404100 /nfs/dbraw/zinc/40/41/00/794404100.db2.gz HMJHXFCJGDMAHF-WDEREUQCSA-N 2 0 326.397 -1.216 20 0 EAADRP COCCC1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCS(=O)(=O)CC1 ZINC001221025996 794405228 /nfs/dbraw/zinc/40/52/28/794405228.db2.gz PMHLPYBLRPBFLG-GFCCVEGCSA-N 2 0 345.465 -1.105 20 0 EAADRP COCCC1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCS(=O)(=O)CC1 ZINC001221025997 794405787 /nfs/dbraw/zinc/40/57/87/794405787.db2.gz PMHLPYBLRPBFLG-LBPRGKRZSA-N 2 0 345.465 -1.105 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056055 794407466 /nfs/dbraw/zinc/40/74/66/794407466.db2.gz CPTFVHBSHIYBLY-XUXIUFHCSA-N 2 0 342.440 -1.430 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060560 794407599 /nfs/dbraw/zinc/40/75/99/794407599.db2.gz FKXDJRPLEWWEBH-CABZTGNLSA-N 2 0 339.371 -1.175 20 0 EAADRP CCC(CC)[C@@H](NC(=O)[C@@H](O)C[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070214 794410623 /nfs/dbraw/zinc/41/06/23/794410623.db2.gz JYRSPPACXPZMHK-XADZXUCXSA-N 2 0 345.440 -1.276 20 0 EAADRP CCC(CC)[C@@H](NC(=O)[C@@H](N)C[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070555 794409965 /nfs/dbraw/zinc/40/99/65/794409965.db2.gz WTXMTBKIFYMORE-XADZXUCXSA-N 2 0 344.456 -1.309 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001221083084 794411748 /nfs/dbraw/zinc/41/17/48/794411748.db2.gz FGDCMYMDDFYZFM-KFWWJZLASA-N 2 0 339.440 -1.255 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001221083085 794411082 /nfs/dbraw/zinc/41/10/82/794411082.db2.gz FGDCMYMDDFYZFM-ZNMIVQPWSA-N 2 0 339.440 -1.255 20 0 EAADRP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089301 794412576 /nfs/dbraw/zinc/41/25/76/794412576.db2.gz BTVOMYPDMAHUQP-CABCVRRESA-N 2 0 344.456 -1.359 20 0 EAADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089709 794412812 /nfs/dbraw/zinc/41/28/12/794412812.db2.gz OAAYLXHDQOYZRJ-KFWWJZLASA-N 2 0 347.456 -1.488 20 0 EAADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089710 794413671 /nfs/dbraw/zinc/41/36/71/794413671.db2.gz OAAYLXHDQOYZRJ-ZNMIVQPWSA-N 2 0 347.456 -1.488 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221115955 794415834 /nfs/dbraw/zinc/41/58/34/794415834.db2.gz FKRBWIBXIKNRAC-STQMWFEESA-N 2 0 349.435 -1.357 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124112 794417366 /nfs/dbraw/zinc/41/73/66/794417366.db2.gz WSENSHRXHDYPNS-AAEUAGOBSA-N 2 0 335.408 -1.399 20 0 EAADRP COCCC1([NH3+])CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001221134043 794417395 /nfs/dbraw/zinc/41/73/95/794417395.db2.gz IMNIKTSBNHLBKI-UHFFFAOYSA-N 2 0 336.458 -1.437 20 0 EAADRP COCCC1([NH3+])CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001221135948 794416800 /nfs/dbraw/zinc/41/68/00/794416800.db2.gz HYZVEJLOLZNQRN-QWRGUYRKSA-N 2 0 343.428 -1.950 20 0 EAADRP N[C@@H](CC[NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148698 794419174 /nfs/dbraw/zinc/41/91/74/794419174.db2.gz LMIOQBFVFHKRAR-ZDUSSCGKSA-N 2 0 341.437 -1.391 20 0 EAADRP [NH3+]CCNCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148761 794418506 /nfs/dbraw/zinc/41/85/06/794418506.db2.gz OBJAKTISSYKPOV-UHFFFAOYSA-N 2 0 341.437 -1.519 20 0 EAADRP N[C@@H](C[NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148845 794419467 /nfs/dbraw/zinc/41/94/67/794419467.db2.gz QYBVIHZTGOFLMR-LBPRGKRZSA-N 2 0 327.410 -1.781 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221187828 794425214 /nfs/dbraw/zinc/42/52/14/794425214.db2.gz HFACFJOAQMGKQI-MNOVXSKESA-N 2 0 326.397 -1.501 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221187829 794424705 /nfs/dbraw/zinc/42/47/05/794424705.db2.gz HFACFJOAQMGKQI-QWRGUYRKSA-N 2 0 326.397 -1.501 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001221187841 794424949 /nfs/dbraw/zinc/42/49/49/794424949.db2.gz HSJZTVRGNGJFNF-QWHCGFSZSA-N 3 0 342.440 -1.164 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001221187842 794424896 /nfs/dbraw/zinc/42/48/96/794424896.db2.gz HSJZTVRGNGJFNF-STQMWFEESA-N 3 0 342.440 -1.164 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221188596 794424673 /nfs/dbraw/zinc/42/46/73/794424673.db2.gz YPTZMRKGESDFRU-UWVGGRQHSA-N 2 0 333.410 -1.840 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221188597 794425611 /nfs/dbraw/zinc/42/56/11/794425611.db2.gz YPTZMRKGESDFRU-ZJUUUORDSA-N 2 0 333.410 -1.840 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001221190201 794426662 /nfs/dbraw/zinc/42/66/62/794426662.db2.gz FLQQIFFNMKDTEL-AEJSXWLSSA-N 2 0 345.400 -2.519 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001221190356 794426713 /nfs/dbraw/zinc/42/67/13/794426713.db2.gz KFAYBSJVKKRLBM-DCAQKATOSA-N 2 0 344.412 -1.306 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001221190472 794426204 /nfs/dbraw/zinc/42/62/04/794426204.db2.gz OXBXVPNFJJJIFF-CIUDSAMLSA-N 2 0 331.373 -2.910 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001221190663 794427215 /nfs/dbraw/zinc/42/72/15/794427215.db2.gz XSPRXIMYXIMGPU-NSHDSACASA-N 2 0 336.396 -1.104 20 0 EAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001221190712 794426394 /nfs/dbraw/zinc/42/63/94/794426394.db2.gz ZGWBBAPXZUVCJF-QWRGUYRKSA-N 2 0 346.428 -1.358 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221241014 794429038 /nfs/dbraw/zinc/42/90/38/794429038.db2.gz KYRPLFREGAUKRX-USXUVBGUSA-N 2 0 325.413 -1.563 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250682 794430164 /nfs/dbraw/zinc/43/01/64/794430164.db2.gz UWRNVKKSZYIENM-KNHMANMVSA-N 2 0 339.440 -1.268 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254095 794431157 /nfs/dbraw/zinc/43/11/57/794431157.db2.gz FJWBOSCFQXOOKE-AVGNSLFASA-N 2 0 339.440 -1.491 20 0 EAADRP C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001221254864 794431237 /nfs/dbraw/zinc/43/12/37/794431237.db2.gz XSVNSWAVVYKBPF-JTQLQIEISA-N 2 0 342.400 -3.638 20 0 EAADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221256957 794432225 /nfs/dbraw/zinc/43/22/25/794432225.db2.gz SDINBVXHVHXEFI-OLZOCXBDSA-N 2 0 335.408 -1.181 20 0 EAADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221256958 794431285 /nfs/dbraw/zinc/43/12/85/794431285.db2.gz SDINBVXHVHXEFI-STQMWFEESA-N 2 0 335.408 -1.181 20 0 EAADRP CC(=O)OCN1CCC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001221258860 794431275 /nfs/dbraw/zinc/43/12/75/794431275.db2.gz PPHYJVPCMUPPDS-HNNXBMFYSA-N 2 0 341.456 -1.162 20 0 EAADRP CC(=O)OCN1CCC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001221258861 794431315 /nfs/dbraw/zinc/43/13/15/794431315.db2.gz PPHYJVPCMUPPDS-OAHLLOKOSA-N 2 0 341.456 -1.162 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1=CC(=O)NCC1 ZINC001221316071 794433105 /nfs/dbraw/zinc/43/31/05/794433105.db2.gz COIKIHRDNIECJO-STQMWFEESA-N 2 0 337.424 -1.046 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221334202 794433642 /nfs/dbraw/zinc/43/36/42/794433642.db2.gz ZTGFKCIEBYZGHU-BPNCWPANSA-N 2 0 347.419 -1.394 20 0 EAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CCCS1(=O)=O ZINC001221337559 794433537 /nfs/dbraw/zinc/43/35/37/794433537.db2.gz SCNXORYXFMZBPC-GFCCVEGCSA-N 2 0 333.458 -2.112 20 0 EAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CCCS1(=O)=O ZINC001221337564 794433902 /nfs/dbraw/zinc/43/39/02/794433902.db2.gz SCNXORYXFMZBPC-LBPRGKRZSA-N 2 0 333.458 -2.112 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367578 794435160 /nfs/dbraw/zinc/43/51/60/794435160.db2.gz RAHHYDLVDKJADV-QCNOEVLYSA-N 2 0 343.403 -1.743 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CNC(=O)O1 ZINC001221369015 794435609 /nfs/dbraw/zinc/43/56/09/794435609.db2.gz JGRGZFCWYXVABM-SRVKXCTJSA-N 2 0 341.412 -1.342 20 0 EAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221369017 794434871 /nfs/dbraw/zinc/43/48/71/794434871.db2.gz JGRGZFCWYXVABM-WOPDTQHZSA-N 2 0 341.412 -1.342 20 0 EAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001221391018 794435682 /nfs/dbraw/zinc/43/56/82/794435682.db2.gz USEUFIKQMIRLLD-UHFFFAOYSA-N 3 0 336.462 -1.729 20 0 EAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391108 794435685 /nfs/dbraw/zinc/43/56/85/794435685.db2.gz ACUVPMLRIYXCSM-GWCFXTLKSA-N 2 0 337.424 -1.621 20 0 EAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001221391369 794434760 /nfs/dbraw/zinc/43/47/60/794434760.db2.gz LTFANBCUBYYARD-UWVGGRQHSA-N 3 0 343.432 -2.242 20 0 EAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001221392434 794435647 /nfs/dbraw/zinc/43/56/47/794435647.db2.gz WIZJBAYLLBWOTP-CYBMUJFWSA-N 3 0 327.477 -1.199 20 0 EAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001221392437 794435730 /nfs/dbraw/zinc/43/57/30/794435730.db2.gz WIZJBAYLLBWOTP-ZDUSSCGKSA-N 3 0 327.477 -1.199 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221399709 794435373 /nfs/dbraw/zinc/43/53/73/794435373.db2.gz SIWZWIPVPAPNMP-BPNCWPANSA-N 2 0 347.419 -1.476 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001221402602 794435081 /nfs/dbraw/zinc/43/50/81/794435081.db2.gz JMSUUSRPOCNTSX-WTIISPKJSA-N 2 0 341.456 -1.070 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221406227 794434636 /nfs/dbraw/zinc/43/46/36/794434636.db2.gz PGVVCKGVZJFCAQ-UWVGGRQHSA-N 2 0 329.401 -2.733 20 0 EAADRP C[NH+]1CCC(CO)(NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001221407416 794435436 /nfs/dbraw/zinc/43/54/36/794435436.db2.gz YJTDUDYTQDPCOZ-LBPRGKRZSA-N 2 0 344.456 -1.182 20 0 EAADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC001221407956 794435306 /nfs/dbraw/zinc/43/53/06/794435306.db2.gz GJEHKWYKXGMQLL-CYDGBPFRSA-N 2 0 341.456 -1.071 20 0 EAADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC001221407958 794435657 /nfs/dbraw/zinc/43/56/57/794435657.db2.gz GJEHKWYKXGMQLL-RVMXOQNASA-N 2 0 341.456 -1.071 20 0 EAADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC001221407959 794435194 /nfs/dbraw/zinc/43/51/94/794435194.db2.gz GJEHKWYKXGMQLL-VOAKCMCISA-N 2 0 341.456 -1.071 20 0 EAADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC001221407961 794435786 /nfs/dbraw/zinc/43/57/86/794435786.db2.gz GJEHKWYKXGMQLL-XQHKEYJVSA-N 2 0 341.456 -1.071 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221412962 794434979 /nfs/dbraw/zinc/43/49/79/794434979.db2.gz IBPYFFNRIUUJSE-LJUAHTATSA-N 2 0 325.413 -1.802 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221412963 794435181 /nfs/dbraw/zinc/43/51/81/794435181.db2.gz IBPYFFNRIUUJSE-QWRKXWFKSA-N 2 0 325.413 -1.802 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)C(N)=O ZINC001221413352 794437968 /nfs/dbraw/zinc/43/79/68/794437968.db2.gz KGTDPXNUMXRGOT-BHYNMZESSA-N 2 0 339.440 -1.412 20 0 EAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H](C1CCC1)C1C[NH2+]C1)C(N)=O ZINC001221413353 794436649 /nfs/dbraw/zinc/43/66/49/794436649.db2.gz KGTDPXNUMXRGOT-MRCXROJRSA-N 2 0 339.440 -1.412 20 0 EAADRP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)O1 ZINC001222085800 794459541 /nfs/dbraw/zinc/45/95/41/794459541.db2.gz LKQNWNQPMQIHMO-HZSPNIEDSA-N 2 0 329.441 -1.113 20 0 EAADRP O=C1NCC[C@]12CN(Cc1cnc3n1CC[NH2+]CC3)CC21C[NH2+]C1 ZINC001222520976 794464361 /nfs/dbraw/zinc/46/43/61/794464361.db2.gz MDIDQALNPDGADS-KRWDZBQOSA-N 2 0 330.436 -1.060 20 0 EAADRP O=C1NCC[C@@]12CN(Cc1cnc3n1CC[NH2+]CC3)CC21C[NH2+]C1 ZINC001222520979 794464625 /nfs/dbraw/zinc/46/46/25/794464625.db2.gz MDIDQALNPDGADS-QGZVFWFLSA-N 2 0 330.436 -1.060 20 0 EAADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225155398 794490732 /nfs/dbraw/zinc/49/07/32/794490732.db2.gz VXIUOUQWBRFPDL-UHFFFAOYSA-N 2 0 343.428 -1.412 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001225426808 794493440 /nfs/dbraw/zinc/49/34/40/794493440.db2.gz HOLFYCWDNXJWGB-GFCCVEGCSA-N 2 0 325.413 -1.039 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001225426809 794493448 /nfs/dbraw/zinc/49/34/48/794493448.db2.gz HOLFYCWDNXJWGB-LBPRGKRZSA-N 2 0 325.413 -1.039 20 0 EAADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229710547 794541477 /nfs/dbraw/zinc/54/14/77/794541477.db2.gz QDCVSSDPDJJKHB-VXGBXAGGSA-N 2 0 343.428 -1.224 20 0 EAADRP C[NH+](C)CCOCC(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001230048740 794545063 /nfs/dbraw/zinc/54/50/63/794545063.db2.gz RAVBZBHXFRKWAI-CYBMUJFWSA-N 2 0 340.424 -1.050 20 0 EAADRP C[NH+](C)CCOCC(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001230048741 794545030 /nfs/dbraw/zinc/54/50/30/794545030.db2.gz RAVBZBHXFRKWAI-ZDUSSCGKSA-N 2 0 340.424 -1.050 20 0 EAADRP Cn1cc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC001231770483 794595322 /nfs/dbraw/zinc/59/53/22/794595322.db2.gz LEZXSDGSPSCWIG-UHFFFAOYSA-N 2 0 337.424 -1.320 20 0 EAADRP CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CC[NH2+]CCNCC[NH2+]CC2)O1 ZINC001235868920 794643078 /nfs/dbraw/zinc/64/30/78/794643078.db2.gz GZSVZSSUGZCZLS-QLFBSQMISA-N 2 0 346.472 -2.056 20 0 EAADRP CS(=O)(=O)N1CCC(CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235869692 794642919 /nfs/dbraw/zinc/64/29/19/794642919.db2.gz KZOABUFBJFQWRU-UHFFFAOYSA-N 2 0 347.529 -1.258 20 0 EAADRP [NH3+]CCNC(=O)c1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235870937 794642443 /nfs/dbraw/zinc/64/24/43/794642443.db2.gz NHQOCHBXQQBHBH-UHFFFAOYSA-N 3 0 348.495 -1.041 20 0 EAADRP CC1(C)O[C@@H]2O[C@@H](CN3CC[NH2+]CCNCC[NH2+]CC3)[C@@H](O)[C@@H]2O1 ZINC001235871369 794642362 /nfs/dbraw/zinc/64/23/62/794642362.db2.gz UDYHDYIPFJPFKR-XGUBFFRZSA-N 2 0 344.456 -1.692 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc2n1CC[NH2+]CC2 ZINC001236309331 794644494 /nfs/dbraw/zinc/64/44/94/794644494.db2.gz LPUBKKUYLZMNQM-UHFFFAOYSA-N 3 0 337.472 -1.355 20 0 EAADRP Cc1[nH]c(=O)[nH]c(=O)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309390 794643928 /nfs/dbraw/zinc/64/39/28/794643928.db2.gz NEHCHADYTDJCQB-UHFFFAOYSA-N 2 0 326.401 -1.188 20 0 EAADRP Cn1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(=O)n(C)c1=O ZINC001236311188 794644055 /nfs/dbraw/zinc/64/40/55/794644055.db2.gz FRIBAFRRJDICIS-UHFFFAOYSA-N 2 0 340.428 -2.300 20 0 EAADRP COC(=O)c1cnc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236312023 794644547 /nfs/dbraw/zinc/64/45/47/794644547.db2.gz ZKTTZLUDGFEISH-UHFFFAOYSA-N 2 0 338.412 -1.121 20 0 EAADRP COC(=O)c1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])nn1C ZINC001236312613 794643821 /nfs/dbraw/zinc/64/38/21/794643821.db2.gz YIURCWHEQPOQIO-UHFFFAOYSA-N 2 0 340.428 -1.178 20 0 EAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001238242836 794661998 /nfs/dbraw/zinc/66/19/98/794661998.db2.gz OTGOQEBHYIZFGW-LLVKDONJSA-N 2 0 337.467 -1.566 20 0 EAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001238242837 794662205 /nfs/dbraw/zinc/66/22/05/794662205.db2.gz OTGOQEBHYIZFGW-NSHDSACASA-N 2 0 337.467 -1.566 20 0 EAADRP CS(=O)(=O)CS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238244280 794661202 /nfs/dbraw/zinc/66/12/02/794661202.db2.gz ZPEFXIOSEDWUKW-JTQLQIEISA-N 2 0 325.456 -1.218 20 0 EAADRP CS(=O)(=O)CS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238244281 794661470 /nfs/dbraw/zinc/66/14/70/794661470.db2.gz ZPEFXIOSEDWUKW-SNVBAGLBSA-N 2 0 325.456 -1.218 20 0 EAADRP [NH3+]CCCOCCOCCOCCCNS(=O)(=O)CC[NH3+] ZINC001238437266 794663337 /nfs/dbraw/zinc/66/33/37/794663337.db2.gz FMRBYFHJRZDTIZ-UHFFFAOYSA-N 2 0 327.447 -1.347 20 0 EAADRP [NH3+]CCOCCOCCOCCOCCNS(=O)(=O)CC[NH3+] ZINC001238469111 794663298 /nfs/dbraw/zinc/66/32/98/794663298.db2.gz UCMDSTPYGCOJCG-UHFFFAOYSA-N 2 0 343.446 -2.110 20 0 EAADRP [NH3+]CCOCCOCCOCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238610967 794663044 /nfs/dbraw/zinc/66/30/44/794663044.db2.gz QFPYNWPWQWXTMI-UHFFFAOYSA-N 2 0 339.458 -1.334 20 0 EAADRP [NH3+]CCOCCOCCOCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238614069 794662919 /nfs/dbraw/zinc/66/29/19/794662919.db2.gz HCKGSIZIWQEKBW-GFCCVEGCSA-N 2 0 325.431 -1.724 20 0 EAADRP [NH3+]CCOCCOCCOCCNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238614072 794662878 /nfs/dbraw/zinc/66/28/78/794662878.db2.gz HCKGSIZIWQEKBW-LBPRGKRZSA-N 2 0 325.431 -1.724 20 0 EAADRP [NH3+]CCS(=O)(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001238870506 794664743 /nfs/dbraw/zinc/66/47/43/794664743.db2.gz RBJMIKCZSYDWTL-UHFFFAOYSA-N 2 0 348.450 -1.306 20 0 EAADRP O=C1NCC[C@]12CN(S(=O)(=O)CC1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001239011566 794665066 /nfs/dbraw/zinc/66/50/66/794665066.db2.gz BGNHBWUVPLGSHA-HNNXBMFYSA-N 2 0 342.465 -1.273 20 0 EAADRP O=C1NCC[C@@]12CN(S(=O)(=O)CC1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001239011574 794666187 /nfs/dbraw/zinc/66/61/87/794666187.db2.gz BGNHBWUVPLGSHA-OAHLLOKOSA-N 2 0 342.465 -1.273 20 0 EAADRP O=C1NCC[C@]12CN(S(=O)(=O)C1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001239015010 794665489 /nfs/dbraw/zinc/66/54/89/794665489.db2.gz GJSRFERLFOBEBM-AWEZNQCLSA-N 2 0 328.438 -1.520 20 0 EAADRP O=C1NCC[C@@]12CN(S(=O)(=O)C1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001239015013 794666200 /nfs/dbraw/zinc/66/62/00/794666200.db2.gz GJSRFERLFOBEBM-CQSZACIVSA-N 2 0 328.438 -1.520 20 0 EAADRP O=C1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1 ZINC001239016027 794666088 /nfs/dbraw/zinc/66/60/88/794666088.db2.gz MFZVHRSAVFAJNP-UHFFFAOYSA-N 2 0 330.454 -1.130 20 0 EAADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001239044844 794666257 /nfs/dbraw/zinc/66/62/57/794666257.db2.gz FDKUZEUOVZWJFR-LLVKDONJSA-N 2 0 326.426 -1.136 20 0 EAADRP O=S(=O)([C@H]1CC[NH2+]C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001239044849 794666288 /nfs/dbraw/zinc/66/62/88/794666288.db2.gz FDKUZEUOVZWJFR-NSHDSACASA-N 2 0 326.426 -1.136 20 0 EAADRP [NH3+]CCS(=O)(=O)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001239046007 794666030 /nfs/dbraw/zinc/66/60/30/794666030.db2.gz HYDZRJQEBWVALZ-UHFFFAOYSA-N 2 0 331.442 -1.252 20 0 EAADRP O=C(C1CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001239059084 794666123 /nfs/dbraw/zinc/66/61/23/794666123.db2.gz FCCBKRFLSRLCHZ-CYBMUJFWSA-N 2 0 330.454 -1.178 20 0 EAADRP O=C(C1CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001239059085 794665200 /nfs/dbraw/zinc/66/52/00/794665200.db2.gz FCCBKRFLSRLCHZ-ZDUSSCGKSA-N 2 0 330.454 -1.178 20 0 EAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(S(=O)(=O)CC[NH3+])CC3)CC1 ZINC001239077155 794666072 /nfs/dbraw/zinc/66/60/72/794666072.db2.gz CNDCCIHBRQSUFL-UHFFFAOYSA-N 2 0 342.469 -1.265 20 0 EAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(S(=O)(=O)CC[NH3+])CC2 ZINC001239078000 794666237 /nfs/dbraw/zinc/66/62/37/794666237.db2.gz XOCRQXLPEPBZDL-UHFFFAOYSA-N 2 0 345.425 -1.387 20 0 EAADRP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]21 ZINC001239081211 794665711 /nfs/dbraw/zinc/66/57/11/794665711.db2.gz OCKXADLCVBJVLH-AGIUHOORSA-N 2 0 328.442 -1.039 20 0 EAADRP C[NH+](C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)CC[NH3+])CCC2 ZINC001239081744 794666263 /nfs/dbraw/zinc/66/62/63/794666263.db2.gz RVEHGEGSYOINFD-UHFFFAOYSA-N 2 0 329.426 -1.201 20 0 EAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCNCC[NH2+]CCNCC1 ZINC001239095609 794666916 /nfs/dbraw/zinc/66/69/16/794666916.db2.gz FESPROHRBMAHCB-UHFFFAOYSA-N 2 0 333.502 -1.600 20 0 EAADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001239096534 794667424 /nfs/dbraw/zinc/66/74/24/794667424.db2.gz JQOMNLPXYSJZBK-UHFFFAOYSA-N 2 0 327.366 -1.051 20 0 EAADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001239097825 794667469 /nfs/dbraw/zinc/66/74/69/794667469.db2.gz ZLPKIVBTGIQLGK-UHFFFAOYSA-N 2 0 329.426 -1.174 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C1CC[NH2+]CC1 ZINC001239130316 794667137 /nfs/dbraw/zinc/66/71/37/794667137.db2.gz ADEYCNRQOZRCAA-UHFFFAOYSA-N 3 0 335.474 -1.816 20 0 EAADRP Cc1nc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cn1C ZINC001239130577 794667240 /nfs/dbraw/zinc/66/72/40/794667240.db2.gz DPQBPWTVUQHUET-UHFFFAOYSA-N 2 0 346.457 -1.467 20 0 EAADRP Cc1oncc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130831 794666858 /nfs/dbraw/zinc/66/68/58/794666858.db2.gz GVRDTZGFVAPRJO-UHFFFAOYSA-N 2 0 333.414 -1.212 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cccnc1 ZINC001239130917 794667495 /nfs/dbraw/zinc/66/74/95/794667495.db2.gz IFAANMIJOMBLED-UHFFFAOYSA-N 2 0 329.426 -1.114 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239131007 794667485 /nfs/dbraw/zinc/66/74/85/794667485.db2.gz JEACECWNQUUWQS-UHFFFAOYSA-N 3 0 349.501 -1.568 20 0 EAADRP Cn1ccnc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131020 794667391 /nfs/dbraw/zinc/66/73/91/794667391.db2.gz JGWIGDJRNUQRGY-UHFFFAOYSA-N 2 0 332.430 -1.775 20 0 EAADRP Cn1cc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001239131060 794667434 /nfs/dbraw/zinc/66/74/34/794667434.db2.gz KAPMJJFVIRPIMB-UHFFFAOYSA-N 2 0 332.430 -1.775 20 0 EAADRP Cc1n[nH]c(C)c1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131318 794667176 /nfs/dbraw/zinc/66/71/76/794667176.db2.gz MBKLNZVBFDONBF-UHFFFAOYSA-N 2 0 346.457 -1.169 20 0 EAADRP Cn1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])n1 ZINC001239131369 794667488 /nfs/dbraw/zinc/66/74/88/794667488.db2.gz NISLJOULYQRYPN-UHFFFAOYSA-N 2 0 332.430 -1.775 20 0 EAADRP Cn1cnc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131383 794667181 /nfs/dbraw/zinc/66/71/81/794667181.db2.gz NODCKYLDHAMGIB-UHFFFAOYSA-N 2 0 332.430 -1.775 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1nccs1 ZINC001239131514 786087351 /nfs/dbraw/zinc/08/73/51/786087351.db2.gz PIRSOGZMDRZTFR-UHFFFAOYSA-N 2 0 335.455 -1.052 20 0 EAADRP Cc1ncc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])n1C ZINC001239131540 794666851 /nfs/dbraw/zinc/66/68/51/794666851.db2.gz PYVZCEOLYPMJPU-UHFFFAOYSA-N 2 0 346.457 -1.467 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C[C@H]1CCCO1 ZINC001239131543 794666735 /nfs/dbraw/zinc/66/67/35/794666735.db2.gz QEMCBQHWRPPFMQ-GFCCVEGCSA-N 2 0 336.458 -1.389 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C[C@@H]1CCCO1 ZINC001239131544 794667286 /nfs/dbraw/zinc/66/72/86/794667286.db2.gz QEMCBQHWRPPFMQ-LBPRGKRZSA-N 2 0 336.458 -1.389 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccncc1 ZINC001239131546 794666950 /nfs/dbraw/zinc/66/69/50/794666950.db2.gz QIDFDEWANZMDLB-UHFFFAOYSA-N 2 0 329.426 -1.114 20 0 EAADRP COC(=O)CCS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131831 794667030 /nfs/dbraw/zinc/66/70/30/794667030.db2.gz VQRZGEIQIYSYIW-UHFFFAOYSA-N 2 0 338.430 -2.005 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C1CCOCC1 ZINC001239131893 794667195 /nfs/dbraw/zinc/66/71/95/794667195.db2.gz WYQSWRLRYBUJFN-UHFFFAOYSA-N 2 0 336.458 -1.389 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CC(F)(F)F ZINC001239131908 794666991 /nfs/dbraw/zinc/66/69/91/794666991.db2.gz XEDAHVMJBUNDAP-UHFFFAOYSA-N 2 0 334.364 -1.006 20 0 EAADRP CCOC(=O)CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131937 794667624 /nfs/dbraw/zinc/66/76/24/794667624.db2.gz XMJIFHMBDCJDJJ-UHFFFAOYSA-N 2 0 338.430 -2.005 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C1CCC(=O)CC1 ZINC001239131938 794667491 /nfs/dbraw/zinc/66/74/91/794667491.db2.gz XNACBUVXHRZGMK-UHFFFAOYSA-N 2 0 348.469 -1.056 20 0 EAADRP CCn1cc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001239132034 794667288 /nfs/dbraw/zinc/66/72/88/794667288.db2.gz YTIJELQHUBMDJO-UHFFFAOYSA-N 2 0 346.457 -1.293 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccccn1 ZINC001239132062 794667298 /nfs/dbraw/zinc/66/72/98/794667298.db2.gz ZBYLDGRCNREOGF-UHFFFAOYSA-N 2 0 329.426 -1.114 20 0 EAADRP CS(=O)(=O)CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239132117 794667447 /nfs/dbraw/zinc/66/74/47/794667447.db2.gz ZSDOLTRFDXBIPD-UHFFFAOYSA-N 2 0 344.459 -2.566 20 0 EAADRP [NH3+]CCS(=O)(=O)N(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239141707 794667530 /nfs/dbraw/zinc/66/75/30/794667530.db2.gz FQEZPYJFYQOEKV-UHFFFAOYSA-N 2 0 334.486 -1.091 20 0 EAADRP CCOC(=O)CCNC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239297990 794667073 /nfs/dbraw/zinc/66/70/73/794667073.db2.gz WIPKGNZAZOKRCD-UHFFFAOYSA-N 2 0 331.417 -1.235 20 0 EAADRP [NH3+]CCNC(=S)NCCOCCOCCOCCOCC[NH3+] ZINC001239371821 794667036 /nfs/dbraw/zinc/66/70/36/794667036.db2.gz XKFFMBZXTZGIGI-UHFFFAOYSA-N 2 0 338.474 -1.566 20 0 EAADRP CCOC(=O)[C@@H](C)NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239450011 794667404 /nfs/dbraw/zinc/66/74/04/794667404.db2.gz CNQCKEOITRKKNN-LLVKDONJSA-N 2 0 347.485 -1.072 20 0 EAADRP CCOC(=O)[C@H](C)NC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239450016 794667549 /nfs/dbraw/zinc/66/75/49/794667549.db2.gz CNQCKEOITRKKNN-NSHDSACASA-N 2 0 347.485 -1.072 20 0 EAADRP COC(=O)CCNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239450544 794666888 /nfs/dbraw/zinc/66/68/88/794666888.db2.gz GEFMMRQVDZFORT-UHFFFAOYSA-N 2 0 333.458 -1.460 20 0 EAADRP CCOC(=O)CCNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239450569 794667505 /nfs/dbraw/zinc/66/75/05/794667505.db2.gz GFDCRURJHOTUSP-UHFFFAOYSA-N 2 0 347.485 -1.070 20 0 EAADRP CCOC(=O)CNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239453061 794667128 /nfs/dbraw/zinc/66/71/28/794667128.db2.gz SBKKSHCSKUJSBG-UHFFFAOYSA-N 2 0 333.458 -1.460 20 0 EAADRP O[C@H](C[NH2+]C[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)CC1(O)CC[NH2+]CC1 ZINC001245976442 794669738 /nfs/dbraw/zinc/66/97/38/794669738.db2.gz CXKXRVLPQKMNNE-HLLBOEOZSA-N 3 0 343.468 -1.163 20 0 EAADRP O[C@H](C[NH2+]C[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)CC1(O)CC[NH2+]CC1 ZINC001245976448 794670631 /nfs/dbraw/zinc/67/06/31/794670631.db2.gz CXKXRVLPQKMNNE-VYDXJSESSA-N 3 0 343.468 -1.163 20 0 EAADRP O[C@H](C[NH2+]C[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)CC1(O)CC[NH2+]CC1 ZINC001245976450 794671149 /nfs/dbraw/zinc/67/11/49/794671149.db2.gz CXKXRVLPQKMNNE-YQQAZPJKSA-N 3 0 343.468 -1.163 20 0 EAADRP O[C@H](C[NH2+]C[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)CC1(O)CC[NH2+]CC1 ZINC001245976453 794670791 /nfs/dbraw/zinc/67/07/91/794670791.db2.gz CXKXRVLPQKMNNE-ZOBUZTSGSA-N 3 0 343.468 -1.163 20 0 EAADRP O=S1(=O)CC[C@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C12CNC2 ZINC001245984212 794670661 /nfs/dbraw/zinc/67/06/61/794670661.db2.gz IQUKHFNTKXLASL-NEPJUHHUSA-N 2 0 333.454 -2.029 20 0 EAADRP O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C12CNC2 ZINC001245984227 794671139 /nfs/dbraw/zinc/67/11/39/794671139.db2.gz IQUKHFNTKXLASL-NWDGAFQWSA-N 2 0 333.454 -2.029 20 0 EAADRP O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C12CNC2 ZINC001245984228 794670418 /nfs/dbraw/zinc/67/04/18/794670418.db2.gz IQUKHFNTKXLASL-RYUDHWBXSA-N 2 0 333.454 -2.029 20 0 EAADRP O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C12CNC2 ZINC001245984229 794670774 /nfs/dbraw/zinc/67/07/74/794670774.db2.gz IQUKHFNTKXLASL-VXGBXAGGSA-N 2 0 333.454 -2.029 20 0 EAADRP CCOC(=O)[C@@H]1CNCC[C@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984938 794671448 /nfs/dbraw/zinc/67/14/48/794671448.db2.gz ZFZIHPNDUBBYLK-BFHYXJOUSA-N 2 0 329.441 -1.017 20 0 EAADRP CCOC(=O)[C@@H]1CNCC[C@@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984946 794671306 /nfs/dbraw/zinc/67/13/06/794671306.db2.gz ZFZIHPNDUBBYLK-MCIONIFRSA-N 2 0 329.441 -1.017 20 0 EAADRP CCOC(=O)[C@@H]1CNCC[C@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984950 794671153 /nfs/dbraw/zinc/67/11/53/794671153.db2.gz ZFZIHPNDUBBYLK-MGPQQGTHSA-N 2 0 329.441 -1.017 20 0 EAADRP CCOC(=O)[C@@H]1CNCC[C@@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984954 794670474 /nfs/dbraw/zinc/67/04/74/794670474.db2.gz ZFZIHPNDUBBYLK-MJBXVCDLSA-N 2 0 329.441 -1.017 20 0 EAADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001245988378 794670451 /nfs/dbraw/zinc/67/04/51/794670451.db2.gz HOQZUDDBHTUTIX-INIZCTEOSA-N 3 0 349.472 -1.284 20 0 EAADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001245988402 794670858 /nfs/dbraw/zinc/67/08/58/794670858.db2.gz HOQZUDDBHTUTIX-MRXNPFEDSA-N 3 0 349.472 -1.284 20 0 EAADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001245990913 794671364 /nfs/dbraw/zinc/67/13/64/794671364.db2.gz SZQQZPZQGMXNQR-HNNXBMFYSA-N 3 0 335.445 -1.675 20 0 EAADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001245990924 794671166 /nfs/dbraw/zinc/67/11/66/794671166.db2.gz SZQQZPZQGMXNQR-OAHLLOKOSA-N 3 0 335.445 -1.675 20 0 EAADRP [NH3+]CCOCCOCCOCCOCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001245992104 794670841 /nfs/dbraw/zinc/67/08/41/794670841.db2.gz XYLMFXYZEFUVNV-UHFFFAOYSA-N 3 0 349.472 -1.284 20 0 EAADRP COC(=O)C1(C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001245992194 794671049 /nfs/dbraw/zinc/67/10/49/794671049.db2.gz LJUASKKHCJBPOQ-CYBMUJFWSA-N 3 0 329.441 -1.016 20 0 EAADRP COC(=O)C1(C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001245992200 794670956 /nfs/dbraw/zinc/67/09/56/794670956.db2.gz LJUASKKHCJBPOQ-ZDUSSCGKSA-N 3 0 329.441 -1.016 20 0 EAADRP [NH3+]CCOCCOCCOCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245994740 794671523 /nfs/dbraw/zinc/67/15/23/794671523.db2.gz POACZQCBURDJAY-HNNXBMFYSA-N 3 0 349.472 -1.550 20 0 EAADRP [NH3+]CCOCCOCCOCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245994749 794670920 /nfs/dbraw/zinc/67/09/20/794670920.db2.gz POACZQCBURDJAY-OAHLLOKOSA-N 3 0 349.472 -1.550 20 0 EAADRP COC(=O)[C@@H](NC[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246007968 794670719 /nfs/dbraw/zinc/67/07/19/794670719.db2.gz ZQIVBWPFJGSAJX-KBPBESRZSA-N 2 0 329.441 -1.017 20 0 EAADRP COC(=O)[C@@H](NC[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246007969 794671321 /nfs/dbraw/zinc/67/13/21/794671321.db2.gz ZQIVBWPFJGSAJX-KGLIPLIRSA-N 2 0 329.441 -1.017 20 0 EAADRP COC(=O)[C@H](NC[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246007972 794671346 /nfs/dbraw/zinc/67/13/46/794671346.db2.gz ZQIVBWPFJGSAJX-UONOGXRCSA-N 2 0 329.441 -1.017 20 0 EAADRP COC(=O)[C@H](NC[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246007974 794670488 /nfs/dbraw/zinc/67/04/88/794670488.db2.gz ZQIVBWPFJGSAJX-ZIAGYGMSSA-N 2 0 329.441 -1.017 20 0 EAADRP O=C1NCC[C@@]12C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024677 794670363 /nfs/dbraw/zinc/67/03/63/794670363.db2.gz PKSPHEJPGSCLLQ-CXAGYDPISA-N 3 0 338.452 -1.737 20 0 EAADRP O=C1NCC[C@]12C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024678 794671212 /nfs/dbraw/zinc/67/12/12/794671212.db2.gz PKSPHEJPGSCLLQ-DYVFJYSZSA-N 3 0 338.452 -1.737 20 0 EAADRP O=C1NCC[C@]12C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024679 794671039 /nfs/dbraw/zinc/67/10/39/794671039.db2.gz PKSPHEJPGSCLLQ-GUYCJALGSA-N 3 0 338.452 -1.737 20 0 EAADRP O=C1NCC[C@@]12C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024680 794670800 /nfs/dbraw/zinc/67/08/00/794670800.db2.gz PKSPHEJPGSCLLQ-SUMWQHHRSA-N 3 0 338.452 -1.737 20 0 EAADRP O[C@@H](CN1CCO[C@@]2(C1)C[NH2+]CCOC2)CC1(O)CC[NH2+]CC1 ZINC001246024948 794671335 /nfs/dbraw/zinc/67/13/35/794671335.db2.gz GCFVBBDKNVDIBA-GDBMZVCRSA-N 2 0 329.441 -1.457 20 0 EAADRP O[C@H](CN1CCO[C@@]2(C1)C[NH2+]CCOC2)CC1(O)CC[NH2+]CC1 ZINC001246024971 794671356 /nfs/dbraw/zinc/67/13/56/794671356.db2.gz GCFVBBDKNVDIBA-GOEBONIOSA-N 2 0 329.441 -1.457 20 0 EAADRP O[C@H](CN1CCO[C@]2(C1)C[NH2+]CCOC2)CC1(O)CC[NH2+]CC1 ZINC001246024982 794671185 /nfs/dbraw/zinc/67/11/85/794671185.db2.gz GCFVBBDKNVDIBA-HOCLYGCPSA-N 2 0 329.441 -1.457 20 0 EAADRP O=C1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1 ZINC001246024990 794670815 /nfs/dbraw/zinc/67/08/15/794670815.db2.gz QWJOWMFCBZLXHX-CYBMUJFWSA-N 2 0 326.441 -1.594 20 0 EAADRP O[C@@H](CN1CCO[C@]2(C1)C[NH2+]CCOC2)CC1(O)CC[NH2+]CC1 ZINC001246024991 794671315 /nfs/dbraw/zinc/67/13/15/794671315.db2.gz GCFVBBDKNVDIBA-ZBFHGGJFSA-N 2 0 329.441 -1.457 20 0 EAADRP O=C1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1 ZINC001246025009 794671383 /nfs/dbraw/zinc/67/13/83/794671383.db2.gz QWJOWMFCBZLXHX-ZDUSSCGKSA-N 2 0 326.441 -1.594 20 0 EAADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC(=O)C12C[NH2+]C2 ZINC001246031014 794670932 /nfs/dbraw/zinc/67/09/32/794670932.db2.gz ZTTZOYPRCVFFMG-UONOGXRCSA-N 2 0 340.374 -1.031 20 0 EAADRP O[C@H](CN1CCCO[C@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032957 794670867 /nfs/dbraw/zinc/67/08/67/794670867.db2.gz NCLJXILASBJLMB-DOTOQJQBSA-N 2 0 343.468 -1.067 20 0 EAADRP O[C@@H](CN1CCCO[C@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032961 794671528 /nfs/dbraw/zinc/67/15/28/794671528.db2.gz NCLJXILASBJLMB-NVXWUHKLSA-N 2 0 343.468 -1.067 20 0 EAADRP O[C@H](CN1CCCO[C@@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032962 794671092 /nfs/dbraw/zinc/67/10/92/794671092.db2.gz NCLJXILASBJLMB-RDJZCZTQSA-N 2 0 343.468 -1.067 20 0 EAADRP O[C@@H](CN1CCCO[C@@]2(C[NH2+]CCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032963 794671469 /nfs/dbraw/zinc/67/14/69/794671469.db2.gz NCLJXILASBJLMB-WBVHZDCISA-N 2 0 343.468 -1.067 20 0 EAADRP O[C@@H](CN1CCOC[C@@]2(C[NH2+]CCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033182 794671275 /nfs/dbraw/zinc/67/12/75/794671275.db2.gz UJPXLMZYZCXIFW-GDBMZVCRSA-N 2 0 329.441 -1.457 20 0 EAADRP O[C@H](CN1CCOC[C@@]2(C[NH2+]CCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033183 794671017 /nfs/dbraw/zinc/67/10/17/794671017.db2.gz UJPXLMZYZCXIFW-GOEBONIOSA-N 2 0 329.441 -1.457 20 0 EAADRP O[C@H](CN1CCOC[C@]2(C[NH2+]CCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033185 794670750 /nfs/dbraw/zinc/67/07/50/794670750.db2.gz UJPXLMZYZCXIFW-HOCLYGCPSA-N 2 0 329.441 -1.457 20 0 EAADRP O[C@@H](CN1CCOC[C@]2(C[NH2+]CCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033186 794670313 /nfs/dbraw/zinc/67/03/13/794670313.db2.gz UJPXLMZYZCXIFW-ZBFHGGJFSA-N 2 0 329.441 -1.457 20 0 EAADRP O=C1CCC[C@]2(C[NH2+]CCN(C[C@H](O)CC3(O)CC[NH2+]CC3)C2)N1 ZINC001246036085 794671499 /nfs/dbraw/zinc/67/14/99/794671499.db2.gz SRHQAQNFQZWQKE-GDBMZVCRSA-N 2 0 340.468 -1.204 20 0 EAADRP O=C1CCC[C@]2(C[NH2+]CCN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)N1 ZINC001246036096 794671118 /nfs/dbraw/zinc/67/11/18/794671118.db2.gz SRHQAQNFQZWQKE-GOEBONIOSA-N 2 0 340.468 -1.204 20 0 EAADRP O=C1CCC[C@@]2(C[NH2+]CCN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)N1 ZINC001246036102 794670237 /nfs/dbraw/zinc/67/02/37/794670237.db2.gz SRHQAQNFQZWQKE-HOCLYGCPSA-N 2 0 340.468 -1.204 20 0 EAADRP O=C1CCC[C@@]2(C[NH2+]CCN(C[C@H](O)CC3(O)CC[NH2+]CC3)C2)N1 ZINC001246036107 794670979 /nfs/dbraw/zinc/67/09/79/794670979.db2.gz SRHQAQNFQZWQKE-ZBFHGGJFSA-N 2 0 340.468 -1.204 20 0 EAADRP CC(C)(C)OC(=O)[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053407 794670291 /nfs/dbraw/zinc/67/02/91/794670291.db2.gz OIZFVWSVZNAYLU-GFCCVEGCSA-N 2 0 332.445 -1.195 20 0 EAADRP CC(C)(C)OC(=O)[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053411 794670623 /nfs/dbraw/zinc/67/06/23/794670623.db2.gz OIZFVWSVZNAYLU-LBPRGKRZSA-N 2 0 332.445 -1.195 20 0 EAADRP NC(=O)[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246054578 794670600 /nfs/dbraw/zinc/67/06/00/794670600.db2.gz HNMCQIAWSDDKRQ-BFHYXJOUSA-N 2 0 328.363 -1.045 20 0 EAADRP NC(=O)[C@@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246054579 794671298 /nfs/dbraw/zinc/67/12/98/794671298.db2.gz HNMCQIAWSDDKRQ-MELADBBJSA-N 2 0 328.363 -1.045 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)CN1CCOCC1 ZINC001246057075 794671058 /nfs/dbraw/zinc/67/10/58/794671058.db2.gz XQRISSTUBSXSFH-AWEZNQCLSA-N 2 0 331.461 -2.205 20 0 EAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)CN1CCOCC1 ZINC001246057079 794671291 /nfs/dbraw/zinc/67/12/91/794671291.db2.gz XQRISSTUBSXSFH-CQSZACIVSA-N 2 0 331.461 -2.205 20 0 EAADRP O=C([C@@H]1C[C@@H](NC[C@]2(O)CC[NH2+]C[C@@H]2F)C[NH2+]1)N1CCSC1 ZINC001246084444 794672063 /nfs/dbraw/zinc/67/20/63/794672063.db2.gz SFQRHGPLMMFXSW-OWTLIXCDSA-N 2 0 332.445 -1.098 20 0 EAADRP O=C([C@@H]1C[C@H](NC[C@]2(O)CC[NH2+]C[C@@H]2F)C[NH2+]1)N1CCSC1 ZINC001246084448 794672935 /nfs/dbraw/zinc/67/29/35/794672935.db2.gz SFQRHGPLMMFXSW-ZJQBRPOHSA-N 2 0 332.445 -1.098 20 0 EAADRP O=C(CCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)N1CC[NH2+]CC1 ZINC001246107255 794672032 /nfs/dbraw/zinc/67/20/32/794672032.db2.gz HDMNRGURZFQMFN-OLZOCXBDSA-N 2 0 341.481 -1.339 20 0 EAADRP O=C(CCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)N1CC[NH2+]CC1 ZINC001246107265 794672923 /nfs/dbraw/zinc/67/29/23/794672923.db2.gz HDMNRGURZFQMFN-STQMWFEESA-N 2 0 341.481 -1.339 20 0 EAADRP O=C([C@@H]1C[C@H](N[C@@]23CC[NH2+][C@H]2CC(=O)N3)C[NH2+]1)N1CCSC1 ZINC001246144801 794672770 /nfs/dbraw/zinc/67/27/70/794672770.db2.gz LXOPTDDFIAVUBG-AYGWYOGXSA-N 2 0 325.438 -1.583 20 0 EAADRP O=C([C@@H]1C[C@H](N[C@]23CC[NH2+][C@H]2CC(=O)N3)C[NH2+]1)N1CCSC1 ZINC001246144807 794672124 /nfs/dbraw/zinc/67/21/24/794672124.db2.gz LXOPTDDFIAVUBG-RMIALFOJSA-N 2 0 325.438 -1.583 20 0 EAADRP O=C([C@@H]1C[C@@H](N[C@@]23CC[NH2+][C@H]2CC(=O)N3)C[NH2+]1)N1CCSC1 ZINC001246144809 794672610 /nfs/dbraw/zinc/67/26/10/794672610.db2.gz LXOPTDDFIAVUBG-YAMSLAJTSA-N 2 0 325.438 -1.583 20 0 EAADRP O=C([C@@H]1C[C@@H](N[C@]23CC[NH2+][C@H]2CC(=O)N3)C[NH2+]1)N1CCSC1 ZINC001246144811 794672582 /nfs/dbraw/zinc/67/25/82/794672582.db2.gz LXOPTDDFIAVUBG-ZHPDPMBESA-N 2 0 325.438 -1.583 20 0 EAADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCNC(=O)C1 ZINC001246217723 794672676 /nfs/dbraw/zinc/67/26/76/794672676.db2.gz WNUFSSYLSHHBFH-AWEZNQCLSA-N 2 0 333.429 -1.120 20 0 EAADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCNC(=O)C1 ZINC001246217726 794671987 /nfs/dbraw/zinc/67/19/87/794671987.db2.gz WNUFSSYLSHHBFH-CQSZACIVSA-N 2 0 333.429 -1.120 20 0 EAADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246257302 794672052 /nfs/dbraw/zinc/67/20/52/794672052.db2.gz VHAPQZDYADKWFK-CYBMUJFWSA-N 2 0 331.486 -1.753 20 0 EAADRP CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246257310 794672119 /nfs/dbraw/zinc/67/21/19/794672119.db2.gz VHAPQZDYADKWFK-ZDUSSCGKSA-N 2 0 331.486 -1.753 20 0 EAADRP [NH3+]CCOCCOCCOCCOCCOCCN[C@H]1CC[NH2+]C1 ZINC001246274917 794674223 /nfs/dbraw/zinc/67/42/23/794674223.db2.gz NVWBTPAGRMTCBD-INIZCTEOSA-N 2 0 349.472 -1.020 20 0 EAADRP [NH3+]CCOCCOCCOCCOCCOCCN[C@@H]1CC[NH2+]C1 ZINC001246274925 794674281 /nfs/dbraw/zinc/67/42/81/794674281.db2.gz NVWBTPAGRMTCBD-MRXNPFEDSA-N 2 0 349.472 -1.020 20 0 EAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CCN1 ZINC001246283855 794674346 /nfs/dbraw/zinc/67/43/46/794674346.db2.gz GSFMNAGBIDMKOS-KBPBESRZSA-N 2 0 333.429 -1.122 20 0 EAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CCN1 ZINC001246283861 794674116 /nfs/dbraw/zinc/67/41/16/794674116.db2.gz GSFMNAGBIDMKOS-KGLIPLIRSA-N 2 0 333.429 -1.122 20 0 EAADRP [NH3+]CCOCCOCCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246284158 794674336 /nfs/dbraw/zinc/67/43/36/794674336.db2.gz LGXGGBPMYLURRU-OLZOCXBDSA-N 2 0 332.470 -1.169 20 0 EAADRP [NH3+]CCOCCOCCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246284159 794674308 /nfs/dbraw/zinc/67/43/08/794674308.db2.gz LGXGGBPMYLURRU-STQMWFEESA-N 2 0 332.470 -1.169 20 0 EAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246291430 794673683 /nfs/dbraw/zinc/67/36/83/794673683.db2.gz UXHMMGHAODLNIK-KBPBESRZSA-N 2 0 333.429 -1.122 20 0 EAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246291435 794673502 /nfs/dbraw/zinc/67/35/02/794673502.db2.gz UXHMMGHAODLNIK-KGLIPLIRSA-N 2 0 333.429 -1.122 20 0 EAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246300066 794673735 /nfs/dbraw/zinc/67/37/35/794673735.db2.gz OJCFPAPVXNQEDZ-FVCCEPFGSA-N 2 0 342.465 -1.010 20 0 EAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246300074 794674401 /nfs/dbraw/zinc/67/44/01/794674401.db2.gz OJCFPAPVXNQEDZ-QNWHQSFQSA-N 2 0 342.465 -1.010 20 0 EAADRP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246306328 794673826 /nfs/dbraw/zinc/67/38/26/794673826.db2.gz TXHPNJWGVSYKJC-LLVKDONJSA-N 2 0 341.412 -2.535 20 0 EAADRP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246306346 794673910 /nfs/dbraw/zinc/67/39/10/794673910.db2.gz TXHPNJWGVSYKJC-NSHDSACASA-N 2 0 341.412 -2.535 20 0 EAADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246327892 794673795 /nfs/dbraw/zinc/67/37/95/794673795.db2.gz JXZBERYTRPKTIR-NDBYEHHHSA-N 2 0 342.465 -1.010 20 0 EAADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246327894 794674203 /nfs/dbraw/zinc/67/42/03/794674203.db2.gz JXZBERYTRPKTIR-RNJOBUHISA-N 2 0 342.465 -1.010 20 0 EAADRP CCOC(=O)C1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]C1 ZINC001246346268 794674495 /nfs/dbraw/zinc/67/44/95/794674495.db2.gz REGGIWQSESGDAB-MNOVXSKESA-N 2 0 328.438 -1.256 20 0 EAADRP CCOC(=O)C1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]C1 ZINC001246346276 794674131 /nfs/dbraw/zinc/67/41/31/794674131.db2.gz REGGIWQSESGDAB-QWRGUYRKSA-N 2 0 328.438 -1.256 20 0 EAADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1C1CC[NH2+]CC1 ZINC001246373229 794674245 /nfs/dbraw/zinc/67/42/45/794674245.db2.gz GAYABFHRFRYENE-HBNTYKKESA-N 2 0 349.395 -1.293 20 0 EAADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCC[NH2+]C1 ZINC001246373251 794674298 /nfs/dbraw/zinc/67/42/98/794674298.db2.gz GDEXBDLJOMEJBY-LMLFDSFASA-N 2 0 349.395 -1.293 20 0 EAADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCC[NH2+]C1 ZINC001246373254 794674445 /nfs/dbraw/zinc/67/44/45/794674445.db2.gz GDEXBDLJOMEJBY-UKKRHICBSA-N 2 0 349.395 -1.293 20 0 EAADRP COC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CC[NH2+]C1 ZINC001246497511 794675469 /nfs/dbraw/zinc/67/54/69/794675469.db2.gz NJVXYBWDYRXTPT-FVCCEPFGSA-N 2 0 342.465 -1.010 20 0 EAADRP COC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CC[NH2+]C1 ZINC001246497512 794675582 /nfs/dbraw/zinc/67/55/82/794675582.db2.gz NJVXYBWDYRXTPT-MROQNXINSA-N 2 0 342.465 -1.010 20 0 EAADRP COC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CC[NH2+]C1 ZINC001246497514 794675452 /nfs/dbraw/zinc/67/54/52/794675452.db2.gz NJVXYBWDYRXTPT-QNWHQSFQSA-N 2 0 342.465 -1.010 20 0 EAADRP COC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CC[NH2+]C1 ZINC001246497515 794674684 /nfs/dbraw/zinc/67/46/84/794674684.db2.gz NJVXYBWDYRXTPT-ZDEQEGDKSA-N 2 0 342.465 -1.010 20 0 EAADRP NC(=O)CNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522987 794675513 /nfs/dbraw/zinc/67/55/13/794675513.db2.gz LVHPLKWWTGLFQL-CABCVRRESA-N 2 0 345.447 -1.117 20 0 EAADRP NC(=O)CNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246523004 794675667 /nfs/dbraw/zinc/67/56/67/794675667.db2.gz LVHPLKWWTGLFQL-GJZGRUSLSA-N 2 0 345.447 -1.117 20 0 EAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246525763 794675133 /nfs/dbraw/zinc/67/51/33/794675133.db2.gz SKALWRSRXMGWTD-CABCVRRESA-N 2 0 345.447 -1.117 20 0 EAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246525765 794675577 /nfs/dbraw/zinc/67/55/77/794675577.db2.gz SKALWRSRXMGWTD-GJZGRUSLSA-N 2 0 345.447 -1.117 20 0 EAADRP O=C([C@@H]1C[C@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246616153 794675362 /nfs/dbraw/zinc/67/53/62/794675362.db2.gz FZBDDIVMPDFQLV-HUBLWGQQSA-N 2 0 339.465 -1.586 20 0 EAADRP O=C([C@@H]1C[C@H](N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246616157 794675713 /nfs/dbraw/zinc/67/57/13/794675713.db2.gz FZBDDIVMPDFQLV-SLEUVZQESA-N 2 0 339.465 -1.586 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246616158 794674887 /nfs/dbraw/zinc/67/48/87/794674887.db2.gz FZBDDIVMPDFQLV-TYNCELHUSA-N 2 0 339.465 -1.586 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246616159 794675040 /nfs/dbraw/zinc/67/50/40/794675040.db2.gz FZBDDIVMPDFQLV-XUJVJEKNSA-N 2 0 339.465 -1.586 20 0 EAADRP COC(=O)[C@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246620625 794675796 /nfs/dbraw/zinc/67/57/96/794675796.db2.gz KUBNYXBFPAYVHH-GRYCIOLGSA-N 2 0 328.438 -1.303 20 0 EAADRP COC(=O)[C@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246620627 794675472 /nfs/dbraw/zinc/67/54/72/794675472.db2.gz KUBNYXBFPAYVHH-SDDRHHMPSA-N 2 0 328.438 -1.303 20 0 EAADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246620628 794674998 /nfs/dbraw/zinc/67/49/98/794674998.db2.gz KUBNYXBFPAYVHH-SRVKXCTJSA-N 2 0 328.438 -1.303 20 0 EAADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246620630 794675518 /nfs/dbraw/zinc/67/55/18/794675518.db2.gz KUBNYXBFPAYVHH-WOPDTQHZSA-N 2 0 328.438 -1.303 20 0 EAADRP O=C([C@@H]1C[C@H](N2CCN3CC[NH2+]C[C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246623854 794675085 /nfs/dbraw/zinc/67/50/85/794675085.db2.gz LUURZJZNPYEPPX-IHRRRGAJSA-N 2 0 325.482 -1.161 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CCN3CC[NH2+]C[C@@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246623883 794675821 /nfs/dbraw/zinc/67/58/21/794675821.db2.gz LUURZJZNPYEPPX-MCIONIFRSA-N 2 0 325.482 -1.161 20 0 EAADRP O=C([C@@H]1C[C@H](N2CCN3CC[NH2+]C[C@@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246623886 794675227 /nfs/dbraw/zinc/67/52/27/794675227.db2.gz LUURZJZNPYEPPX-MJBXVCDLSA-N 2 0 325.482 -1.161 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CCN3CC[NH2+]C[C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246623889 794675176 /nfs/dbraw/zinc/67/51/76/794675176.db2.gz LUURZJZNPYEPPX-RDBSUJKOSA-N 2 0 325.482 -1.161 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CCNC[C@@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246626540 794675167 /nfs/dbraw/zinc/67/51/67/794675167.db2.gz GTKHDJBNPVKTBQ-IPYPFGDCSA-N 2 0 325.482 -1.113 20 0 EAADRP O=C([C@@H]1C[C@H](N2CCNC[C@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246626547 794674749 /nfs/dbraw/zinc/67/47/49/794674749.db2.gz GTKHDJBNPVKTBQ-KCQAQPDRSA-N 2 0 325.482 -1.113 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CCNC[C@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246626548 794675702 /nfs/dbraw/zinc/67/57/02/794675702.db2.gz GTKHDJBNPVKTBQ-VNHYZAJKSA-N 2 0 325.482 -1.113 20 0 EAADRP O=C([C@@H]1C[C@H](N2CCNC[C@@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246626549 794675876 /nfs/dbraw/zinc/67/58/76/794675876.db2.gz GTKHDJBNPVKTBQ-YDHLFZDLSA-N 2 0 325.482 -1.113 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CCNC(=O)C23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246634369 794675898 /nfs/dbraw/zinc/67/58/98/794675898.db2.gz GIRFADCBOPKBEN-MNOVXSKESA-N 2 0 325.438 -1.976 20 0 EAADRP O=C([C@@H]1C[C@H](N2CCNC(=O)C23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246634376 794675523 /nfs/dbraw/zinc/67/55/23/794675523.db2.gz GIRFADCBOPKBEN-QWRGUYRKSA-N 2 0 325.438 -1.976 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CCN[C@]3(CC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246646139 794675700 /nfs/dbraw/zinc/67/57/00/794675700.db2.gz WPVZHARLGDIQQF-IPYPFGDCSA-N 2 0 325.482 -1.113 20 0 EAADRP O=C([C@@H]1C[C@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246646142 794675659 /nfs/dbraw/zinc/67/56/59/794675659.db2.gz WPVZHARLGDIQQF-KCQAQPDRSA-N 2 0 325.482 -1.113 20 0 EAADRP O=C([C@@H]1C[C@@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246646144 794675465 /nfs/dbraw/zinc/67/54/65/794675465.db2.gz WPVZHARLGDIQQF-VNHYZAJKSA-N 2 0 325.482 -1.113 20 0 EAADRP O=C([C@@H]1C[C@H](N2CCN[C@]3(CC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246646146 794674852 /nfs/dbraw/zinc/67/48/52/794674852.db2.gz WPVZHARLGDIQQF-YDHLFZDLSA-N 2 0 325.482 -1.113 20 0 EAADRP O=C([C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)C[NH2+]1)N1CCSC1 ZINC001246648449 794675551 /nfs/dbraw/zinc/67/55/51/794675551.db2.gz YUMLRAHOYWXGJH-CXTNEJHOSA-N 2 0 326.466 -1.237 20 0 EAADRP O=C([C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)C[NH2+]1)N1CCSC1 ZINC001246648514 794675825 /nfs/dbraw/zinc/67/58/25/794675825.db2.gz YUMLRAHOYWXGJH-OSFYFWSMSA-N 2 0 326.466 -1.237 20 0 EAADRP CN(C)C(=O)CO[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12 ZINC001246690990 794676376 /nfs/dbraw/zinc/67/63/76/794676376.db2.gz CASXIVSJGWMILK-BYNSBNAKSA-N 2 0 338.452 -1.116 20 0 EAADRP CN(C)C(=O)CO[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12 ZINC001246691000 794676566 /nfs/dbraw/zinc/67/65/66/794676566.db2.gz CASXIVSJGWMILK-LXTVHRRPSA-N 2 0 338.452 -1.116 20 0 EAADRP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246744419 794676334 /nfs/dbraw/zinc/67/63/34/794676334.db2.gz ASGKDIWHFIVVES-IHRRRGAJSA-N 2 0 335.452 -1.156 20 0 EAADRP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246744421 794676452 /nfs/dbraw/zinc/67/64/52/794676452.db2.gz ASGKDIWHFIVVES-RDBSUJKOSA-N 2 0 335.452 -1.156 20 0 EAADRP COC(=O)[C@@H]1CC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CN1 ZINC001246926011 794677978 /nfs/dbraw/zinc/67/79/78/794677978.db2.gz QXFWOXZJKIOUID-OLZOCXBDSA-N 2 0 329.445 -1.604 20 0 EAADRP COC(=O)[C@@H]1CC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CN1 ZINC001246926012 794677169 /nfs/dbraw/zinc/67/71/69/794677169.db2.gz QXFWOXZJKIOUID-STQMWFEESA-N 2 0 329.445 -1.604 20 0 EAADRP COC(=O)[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1[NH3+] ZINC001246929511 794676983 /nfs/dbraw/zinc/67/69/83/794676983.db2.gz FARUWZFVFJYCCD-KKOKHZNYSA-N 2 0 328.438 -1.318 20 0 EAADRP COC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1[NH3+] ZINC001246929512 794677739 /nfs/dbraw/zinc/67/77/39/794677739.db2.gz FARUWZFVFJYCCD-QCNOEVLYSA-N 2 0 328.438 -1.318 20 0 EAADRP COC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1[NH3+] ZINC001246929513 794677901 /nfs/dbraw/zinc/67/79/01/794677901.db2.gz FARUWZFVFJYCCD-USZNOCQGSA-N 2 0 328.438 -1.318 20 0 EAADRP COC(=O)[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1[NH3+] ZINC001246929514 794677821 /nfs/dbraw/zinc/67/78/21/794677821.db2.gz FARUWZFVFJYCCD-WYUUTHIRSA-N 2 0 328.438 -1.318 20 0 EAADRP CC(=O)N1CC2(C1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H]2C(=O)N(C)C ZINC001246988284 794676934 /nfs/dbraw/zinc/67/69/34/794676934.db2.gz ITLQLIQUMDLPRF-CABCVRRESA-N 2 0 349.479 -1.051 20 0 EAADRP CC(=O)N1CC2(C1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H]2C(=O)N(C)C ZINC001246988287 794677984 /nfs/dbraw/zinc/67/79/84/794677984.db2.gz ITLQLIQUMDLPRF-GJZGRUSLSA-N 2 0 349.479 -1.051 20 0 EAADRP CC(=O)N1CC2(C1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H]2C(=O)N(C)C ZINC001246988289 794677638 /nfs/dbraw/zinc/67/76/38/794677638.db2.gz ITLQLIQUMDLPRF-HUUCEWRRSA-N 2 0 349.479 -1.051 20 0 EAADRP CC(=O)N1CC2(C1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H]2C(=O)N(C)C ZINC001246988293 794677762 /nfs/dbraw/zinc/67/77/62/794677762.db2.gz ITLQLIQUMDLPRF-LSDHHAIUSA-N 2 0 349.479 -1.051 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CO[C@@]2(CC[NH2+]C2)C1)O3 ZINC001247007192 794677997 /nfs/dbraw/zinc/67/79/97/794677997.db2.gz BVMZIMDTNDBPSH-DGTMBMJNSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CO[C@@]2(CC[NH2+]C2)C1)O3 ZINC001247007193 794677041 /nfs/dbraw/zinc/67/70/41/794677041.db2.gz BVMZIMDTNDBPSH-NDKCEZKHSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1C[C@H]2C[NH2+]CCN2C1)O3 ZINC001247007756 794677593 /nfs/dbraw/zinc/67/75/93/794677593.db2.gz DWWYXKFLNFTLJL-HPCHECBXSA-N 2 0 328.438 -1.823 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1C[C@H]2C[NH2+]CCN2C1)O3 ZINC001247007761 794677652 /nfs/dbraw/zinc/67/76/52/794677652.db2.gz DWWYXKFLNFTLJL-ZSLBOAEBSA-N 2 0 328.438 -1.823 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CC[NH2+][C@H]2CCO[C@@H]21)O3 ZINC001247007824 794677928 /nfs/dbraw/zinc/67/79/28/794677928.db2.gz FMWISJFXCXDQIB-ORWNZLQRSA-N 2 0 329.422 -1.349 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CC[NH2+][C@H]2CCO[C@@H]21)O3 ZINC001247007830 794677918 /nfs/dbraw/zinc/67/79/18/794677918.db2.gz FMWISJFXCXDQIB-QUGYJXMDSA-N 2 0 329.422 -1.349 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21)O3 ZINC001247008906 794677024 /nfs/dbraw/zinc/67/70/24/794677024.db2.gz IPPJMSDRAADUJQ-BSOLPCOYSA-N 2 0 329.422 -1.349 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1C[NH2+][C@@H]2CCCO[C@@H]21)O3 ZINC001247008910 794677062 /nfs/dbraw/zinc/67/70/62/794677062.db2.gz IPPJMSDRAADUJQ-TVQXOTEMSA-N 2 0 329.422 -1.349 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12)O3 ZINC001247008947 794677932 /nfs/dbraw/zinc/67/79/32/794677932.db2.gz IUDLPTAGWUBNFH-KJKVDNPUSA-N 2 0 329.422 -1.634 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)O3 ZINC001247008951 794677547 /nfs/dbraw/zinc/67/75/47/794677547.db2.gz IUDLPTAGWUBNFH-XOKHJRTDSA-N 2 0 329.422 -1.634 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CCOC2(C[NH2+]C2)C1)O3 ZINC001247010774 794677576 /nfs/dbraw/zinc/67/75/76/794677576.db2.gz OUKNOGDKDCQJID-NMKXLXIOSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CCOC2(C[NH2+]C2)C1)O3 ZINC001247010775 794677948 /nfs/dbraw/zinc/67/79/48/794677948.db2.gz OUKNOGDKDCQJID-OPDFLTKYSA-N 2 0 329.422 -1.348 20 0 EAADRP CCC(=O)[C@H]1C[C@@H](N2C[C@@]34C[NH2+]C[C@@H](C[C@@H]3S2(=O)=O)O4)C[NH2+]1 ZINC001247010832 794677303 /nfs/dbraw/zinc/67/73/03/794677303.db2.gz PPQWVOFAKAYMTH-AFCCXKIYSA-N 2 0 329.422 -1.159 20 0 EAADRP CCC(=O)[C@H]1C[C@H](N2C[C@@]34C[NH2+]C[C@@H](C[C@@H]3S2(=O)=O)O4)C[NH2+]1 ZINC001247010833 794677523 /nfs/dbraw/zinc/67/75/23/794677523.db2.gz PPQWVOFAKAYMTH-AXMVNOCNSA-N 2 0 329.422 -1.159 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CSC2(C[NH2+]C2)C1)O3 ZINC001247011628 794677991 /nfs/dbraw/zinc/67/79/91/794677991.db2.gz QANNHKDBJONCDP-DCQANWLSSA-N 2 0 331.463 -1.021 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CSC2(C[NH2+]C2)C1)O3 ZINC001247011630 794677940 /nfs/dbraw/zinc/67/79/40/794677940.db2.gz QANNHKDBJONCDP-NOHGZBONSA-N 2 0 331.463 -1.021 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@H]1CCC2(C[NH2+]C2)O1)O3 ZINC001247012973 794677702 /nfs/dbraw/zinc/67/77/02/794677702.db2.gz VMGUEXLIIQQTRD-NMKXLXIOSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@@H]1CCC2(C[NH2+]C2)O1)O3 ZINC001247012976 794677860 /nfs/dbraw/zinc/67/78/60/794677860.db2.gz VMGUEXLIIQQTRD-OPDFLTKYSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CCO[C@]12CC[NH2+]C2)O3 ZINC001247013133 794677510 /nfs/dbraw/zinc/67/75/10/794677510.db2.gz VYWDZCWXHURYGF-DGTMBMJNSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CCO[C@@]12CC[NH2+]C2)O3 ZINC001247013135 794677495 /nfs/dbraw/zinc/67/74/95/794677495.db2.gz VYWDZCWXHURYGF-HTOAHKCRSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CCO[C@]12CC[NH2+]C2)O3 ZINC001247013136 794677327 /nfs/dbraw/zinc/67/73/27/794677327.db2.gz VYWDZCWXHURYGF-QMVSFRDZSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CCO[C@@]12CC[NH2+]C2)O3 ZINC001247013137 794677387 /nfs/dbraw/zinc/67/73/87/794677387.db2.gz VYWDZCWXHURYGF-RGDJUOJXSA-N 2 0 329.422 -1.348 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]21)O3 ZINC001247013782 794677999 /nfs/dbraw/zinc/67/79/99/794677999.db2.gz YLTDTICYAMBZEL-ORWNZLQRSA-N 2 0 329.422 -1.349 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12)O3 ZINC001247013784 794677137 /nfs/dbraw/zinc/67/71/37/794677137.db2.gz YLTDTICYAMBZEL-QUGYJXMDSA-N 2 0 329.422 -1.349 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CC[C@@H]2[NH2+]CCO[C@H]21)O3 ZINC001247013787 794677475 /nfs/dbraw/zinc/67/74/75/794677475.db2.gz YLTDTICYAMBZEL-WFQJECDVSA-N 2 0 329.422 -1.349 20 0 EAADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)O3 ZINC001247013788 794676947 /nfs/dbraw/zinc/67/69/47/794676947.db2.gz YLTDTICYAMBZEL-WZBKEBKWSA-N 2 0 329.422 -1.349 20 0 EAADRP [NH3+]CC(=O)NCC(=O)NCc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001248460789 794679431 /nfs/dbraw/zinc/67/94/31/794679431.db2.gz RHDHGXGAPBWRBA-UHFFFAOYSA-N 2 0 345.363 -1.532 20 0 EAADRP C[NH+](C)CCN1CC[N@H+](C[C@H](O)CN2CCOCC2)CCC1=O ZINC001251021707 794682488 /nfs/dbraw/zinc/68/24/88/794682488.db2.gz TWVLNDLXPNRFPZ-HNNXBMFYSA-N 2 0 328.457 -1.225 20 0 EAADRP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)CN2CCOCC2)CCC1=O ZINC001251021708 794681370 /nfs/dbraw/zinc/68/13/70/794681370.db2.gz TWVLNDLXPNRFPZ-OAHLLOKOSA-N 2 0 328.457 -1.225 20 0 EAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H](O)CO)CC2 ZINC001252058399 794685994 /nfs/dbraw/zinc/68/59/94/794685994.db2.gz BMWLRSDNXFHKTJ-AWEZNQCLSA-N 2 0 328.457 -1.490 20 0 EAADRP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252414980 794688283 /nfs/dbraw/zinc/68/82/83/794688283.db2.gz NTFVOQTWTKHZPN-HZSPNIEDSA-N 2 0 343.424 -1.369 20 0 EAADRP COC(=O)[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252414983 794689346 /nfs/dbraw/zinc/68/93/46/794689346.db2.gz NTFVOQTWTKHZPN-MGPQQGTHSA-N 2 0 343.424 -1.369 20 0 EAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001254876927 794720548 /nfs/dbraw/zinc/72/05/48/794720548.db2.gz NWCTWMBWLVTXSD-HNNXBMFYSA-N 2 0 338.412 -1.434 20 0 EAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)n1 ZINC001254876928 794719829 /nfs/dbraw/zinc/71/98/29/794719829.db2.gz NWCTWMBWLVTXSD-OAHLLOKOSA-N 2 0 338.412 -1.434 20 0 EAADRP C[N@@H+]1CC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001255421378 794729757 /nfs/dbraw/zinc/72/97/57/794729757.db2.gz IVLYTZJLYCWKRW-LMLFDSFASA-N 2 0 349.395 -1.341 20 0 EAADRP C[N@@H+]1CC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001255421379 794730255 /nfs/dbraw/zinc/73/02/55/794730255.db2.gz IVLYTZJLYCWKRW-UKKRHICBSA-N 2 0 349.395 -1.341 20 0 EAADRP OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2CCC([NH+]3CCOCC3)CC2)[C@@H](O)[C@@H]1O ZINC001256686152 794742321 /nfs/dbraw/zinc/74/23/21/794742321.db2.gz KCWPSWHCMBVHSX-ALEZWLBASA-N 2 0 346.424 -1.981 20 0 EAADRP OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCC([NH+]3CCOCC3)CC2)[C@@H](O)[C@@H]1O ZINC001256686158 794742778 /nfs/dbraw/zinc/74/27/78/794742778.db2.gz KCWPSWHCMBVHSX-YCBQYYIRSA-N 2 0 346.424 -1.981 20 0 EAADRP OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H](O)[C@@H]1O ZINC001256853764 794743769 /nfs/dbraw/zinc/74/37/69/794743769.db2.gz QSVUYPMZDKBKKK-OXGONZEZSA-N 2 0 339.392 -1.560 20 0 EAADRP OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H](O)[C@@H]1O ZINC001256853765 794743550 /nfs/dbraw/zinc/74/35/50/794743550.db2.gz QSVUYPMZDKBKKK-QCODTGAPSA-N 2 0 339.392 -1.560 20 0 EAADRP NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856663 794743808 /nfs/dbraw/zinc/74/38/08/794743808.db2.gz PYJCGQXTBXNHKT-UHFFFAOYSA-N 2 0 348.407 -1.642 20 0 EAADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001258906225 794759603 /nfs/dbraw/zinc/75/96/03/794759603.db2.gz AKYFFMMPWFEZSE-GFCCVEGCSA-N 2 0 329.445 -1.196 20 0 EAADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001258906229 794759697 /nfs/dbraw/zinc/75/96/97/794759697.db2.gz AKYFFMMPWFEZSE-LBPRGKRZSA-N 2 0 329.445 -1.196 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001261320589 794779895 /nfs/dbraw/zinc/77/98/95/794779895.db2.gz GDYFLUNWFJSZTM-OKILXGFUSA-N 2 0 342.440 -1.436 20 0 EAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001261611356 794789317 /nfs/dbraw/zinc/78/93/17/794789317.db2.gz OXDWURNKPGGFHX-UHFFFAOYSA-N 2 0 344.456 -1.716 20 0 EAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001261632459 794791022 /nfs/dbraw/zinc/79/10/22/794791022.db2.gz BRHYPFCXTUSMAH-SECBINFHSA-N 2 0 334.380 -1.390 20 0 EAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001261632460 794790982 /nfs/dbraw/zinc/79/09/82/794790982.db2.gz BRHYPFCXTUSMAH-VIFPVBQESA-N 2 0 334.380 -1.390 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001261633148 794791110 /nfs/dbraw/zinc/79/11/10/794791110.db2.gz XOWDQJKVKACYAH-AWEZNQCLSA-N 2 0 341.456 -1.684 20 0 EAADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001261633149 794791416 /nfs/dbraw/zinc/79/14/16/794791416.db2.gz XOWDQJKVKACYAH-CQSZACIVSA-N 2 0 341.456 -1.684 20 0 EAADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001261822661 794800468 /nfs/dbraw/zinc/80/04/68/794800468.db2.gz GMHJEUAAMLPZJE-AWEZNQCLSA-N 2 0 342.440 -1.163 20 0 EAADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001261822662 794801089 /nfs/dbraw/zinc/80/10/89/794801089.db2.gz GMHJEUAAMLPZJE-CQSZACIVSA-N 2 0 342.440 -1.163 20 0 EAADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001261823402 794800777 /nfs/dbraw/zinc/80/07/77/794800777.db2.gz YDAUAGAVOFRPGK-AWEZNQCLSA-N 2 0 342.440 -1.292 20 0 EAADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001261823403 794800692 /nfs/dbraw/zinc/80/06/92/794800692.db2.gz YDAUAGAVOFRPGK-CQSZACIVSA-N 2 0 342.440 -1.292 20 0 EAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cn1 ZINC001261828899 794802250 /nfs/dbraw/zinc/80/22/50/794802250.db2.gz XYWCCWAEHKJFST-ZDUSSCGKSA-N 2 0 338.412 -1.434 20 0 EAADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063902 794808893 /nfs/dbraw/zinc/80/88/93/794808893.db2.gz MHRAVVOZIQLYDR-IPYPFGDCSA-N 2 0 335.452 -1.156 20 0 EAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063903 794808041 /nfs/dbraw/zinc/80/80/41/794808041.db2.gz MHRAVVOZIQLYDR-YDHLFZDLSA-N 2 0 335.452 -1.156 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262063968 794808837 /nfs/dbraw/zinc/80/88/37/794808837.db2.gz NVULJKJSHKSXTB-LXTVHRRPSA-N 2 0 337.468 -1.005 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262063969 794808409 /nfs/dbraw/zinc/80/84/09/794808409.db2.gz NVULJKJSHKSXTB-XGUBFFRZSA-N 2 0 337.468 -1.005 20 0 EAADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001262068782 794808861 /nfs/dbraw/zinc/80/88/61/794808861.db2.gz KUWQOHBFYJHQMA-CYBMUJFWSA-N 2 0 325.457 -1.064 20 0 EAADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001262068783 794807931 /nfs/dbraw/zinc/80/79/31/794807931.db2.gz KUWQOHBFYJHQMA-ZDUSSCGKSA-N 2 0 325.457 -1.064 20 0 EAADRP Cn1cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC001262080427 794808702 /nfs/dbraw/zinc/80/87/02/794808702.db2.gz WCSRPLRNBGTBSM-VXGBXAGGSA-N 2 0 337.428 -1.049 20 0 EAADRP Cn1c2ncn(CCN3CC[NH2+]CC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC001262195224 794809579 /nfs/dbraw/zinc/80/95/79/794809579.db2.gz UFBMVDCEEBBPMT-UHFFFAOYSA-N 2 0 335.412 -2.072 20 0 EAADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001262541602 794816460 /nfs/dbraw/zinc/81/64/60/794816460.db2.gz BEVMEXHCMQCAQP-UHFFFAOYSA-N 2 0 341.456 -1.765 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001262543771 794817141 /nfs/dbraw/zinc/81/71/41/794817141.db2.gz KSSKZLNZZOIFSX-CYBMUJFWSA-N 2 0 330.429 -1.482 20 0 EAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001262543772 794816961 /nfs/dbraw/zinc/81/69/61/794816961.db2.gz KSSKZLNZZOIFSX-ZDUSSCGKSA-N 2 0 330.429 -1.482 20 0 EAADRP CN(C(=O)C(=O)NCCOCC[NH+](C)C)C1(C[NH3+])CCOCC1 ZINC001262544490 794817178 /nfs/dbraw/zinc/81/71/78/794817178.db2.gz CMWDIHRPCJWYER-UHFFFAOYSA-N 2 0 330.429 -1.353 20 0 EAADRP C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001262546111 794816263 /nfs/dbraw/zinc/81/62/63/794816263.db2.gz PSMVAUIBFBOQOS-IHRRRGAJSA-N 2 0 325.457 -1.160 20 0 EAADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001262546112 794816705 /nfs/dbraw/zinc/81/67/05/794816705.db2.gz PSMVAUIBFBOQOS-MGPQQGTHSA-N 2 0 325.457 -1.160 20 0 EAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001262548818 794817093 /nfs/dbraw/zinc/81/70/93/794817093.db2.gz CJRMWURJLNDUHA-UKRRQHHQSA-N 2 0 337.468 -1.051 20 0 EAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC23COCCN2CCOC3)CC1 ZINC001262577392 794816901 /nfs/dbraw/zinc/81/69/01/794816901.db2.gz OZOOBXYHYSEFIN-HNNXBMFYSA-N 2 0 328.457 -1.715 20 0 EAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC23COCCN2CCOC3)CC1 ZINC001262577393 794816610 /nfs/dbraw/zinc/81/66/10/794816610.db2.gz OZOOBXYHYSEFIN-OAHLLOKOSA-N 2 0 328.457 -1.715 20 0 EAADRP O=C(NCCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263061220 794818261 /nfs/dbraw/zinc/81/82/61/794818261.db2.gz JUPNEHLIXFQSGY-JSGCOSHPSA-N 2 0 330.454 -1.968 20 0 EAADRP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCNCCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001263202509 794817972 /nfs/dbraw/zinc/81/79/72/794817972.db2.gz BNHVBYJNGBRXHY-OSLXHZNNSA-N 2 0 347.463 -1.537 20 0 EAADRP C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H]1C[N@H+](C)CCN1C ZINC001263305565 794818909 /nfs/dbraw/zinc/81/89/09/794818909.db2.gz AKPCKAYEAHVKHT-BFHYXJOUSA-N 2 0 325.457 -1.066 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H]1C[N@H+](C)CCN1C ZINC001263305566 794818493 /nfs/dbraw/zinc/81/84/93/794818493.db2.gz AKPCKAYEAHVKHT-IHRRRGAJSA-N 2 0 325.457 -1.066 20 0 EAADRP C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H]1C[N@H+](C)CCN1C ZINC001263305567 794818423 /nfs/dbraw/zinc/81/84/23/794818423.db2.gz AKPCKAYEAHVKHT-MELADBBJSA-N 2 0 325.457 -1.066 20 0 EAADRP C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H]1C[N@H+](C)CCN1C ZINC001263305568 794819174 /nfs/dbraw/zinc/81/91/74/794819174.db2.gz AKPCKAYEAHVKHT-MJBXVCDLSA-N 2 0 325.457 -1.066 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001264410866 794833432 /nfs/dbraw/zinc/83/34/32/794833432.db2.gz XRUNNPKKOSOAKR-RWMBFGLXSA-N 2 0 332.470 -1.028 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001264410867 794833474 /nfs/dbraw/zinc/83/34/74/794833474.db2.gz XRUNNPKKOSOAKR-UPJWGTAASA-N 2 0 332.470 -1.028 20 0 EAADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001265819060 794873017 /nfs/dbraw/zinc/87/30/17/794873017.db2.gz XYGNSHDCYLPDGF-LLVKDONJSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001265819061 794872839 /nfs/dbraw/zinc/87/28/39/794872839.db2.gz XYGNSHDCYLPDGF-NSHDSACASA-N 2 0 325.413 -1.026 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001265883539 794878165 /nfs/dbraw/zinc/87/81/65/794878165.db2.gz MPUFUXQGLKYWOV-CYBMUJFWSA-N 2 0 341.456 -1.244 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001265883540 794878088 /nfs/dbraw/zinc/87/80/88/794878088.db2.gz MPUFUXQGLKYWOV-ZDUSSCGKSA-N 2 0 341.456 -1.244 20 0 EAADRP CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265939996 794881626 /nfs/dbraw/zinc/88/16/26/794881626.db2.gz GPPPZRKMZZEVON-LBPRGKRZSA-N 2 0 330.454 -1.178 20 0 EAADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001266277339 785074792 /nfs/dbraw/zinc/07/47/92/785074792.db2.gz WUCQHOPDQXRRSQ-VXGBXAGGSA-N 2 0 325.413 -1.074 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001266660851 785140834 /nfs/dbraw/zinc/14/08/34/785140834.db2.gz UWMGPVWVIDXLHY-CHWSQXEVSA-N 2 0 341.456 -1.279 20 0 EAADRP C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001266660852 785140926 /nfs/dbraw/zinc/14/09/26/785140926.db2.gz UWMGPVWVIDXLHY-OLZOCXBDSA-N 2 0 341.456 -1.279 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001266660853 785141347 /nfs/dbraw/zinc/14/13/47/785141347.db2.gz UWMGPVWVIDXLHY-QWHCGFSZSA-N 2 0 341.456 -1.279 20 0 EAADRP C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001266660854 785141040 /nfs/dbraw/zinc/14/10/40/785141040.db2.gz UWMGPVWVIDXLHY-STQMWFEESA-N 2 0 341.456 -1.279 20 0 EAADRP CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660898 785141118 /nfs/dbraw/zinc/14/11/18/785141118.db2.gz WCICDPOVDQKPTQ-CYBMUJFWSA-N 2 0 337.424 -1.274 20 0 EAADRP CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660899 785140656 /nfs/dbraw/zinc/14/06/56/785140656.db2.gz WCICDPOVDQKPTQ-ZDUSSCGKSA-N 2 0 337.424 -1.274 20 0 EAADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CN(C)CCO1 ZINC001266666857 785142891 /nfs/dbraw/zinc/14/28/91/785142891.db2.gz GVXHSJCDVYIRJG-CYBMUJFWSA-N 2 0 328.413 -1.776 20 0 EAADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CN(C)CCO1 ZINC001266666858 785142546 /nfs/dbraw/zinc/14/25/46/785142546.db2.gz GVXHSJCDVYIRJG-ZDUSSCGKSA-N 2 0 328.413 -1.776 20 0 EAADRP CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001266724452 785152818 /nfs/dbraw/zinc/15/28/18/785152818.db2.gz OXSKXZCVVIQDLP-UHFFFAOYSA-N 2 0 339.440 -1.523 20 0 EAADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970815 785174635 /nfs/dbraw/zinc/17/46/35/785174635.db2.gz HHWDPPAIGNBFSJ-NEPJUHHUSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970816 785174606 /nfs/dbraw/zinc/17/46/06/785174606.db2.gz HHWDPPAIGNBFSJ-NWDGAFQWSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970817 785174284 /nfs/dbraw/zinc/17/42/84/785174284.db2.gz HHWDPPAIGNBFSJ-RYUDHWBXSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970818 785174434 /nfs/dbraw/zinc/17/44/34/785174434.db2.gz HHWDPPAIGNBFSJ-VXGBXAGGSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001267081547 785189324 /nfs/dbraw/zinc/18/93/24/785189324.db2.gz MUQWFFVGXLHPDH-LLVKDONJSA-N 2 0 329.401 -1.802 20 0 EAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001267081548 785190490 /nfs/dbraw/zinc/19/04/90/785190490.db2.gz MUQWFFVGXLHPDH-NSHDSACASA-N 2 0 329.401 -1.802 20 0 EAADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267189427 785203195 /nfs/dbraw/zinc/20/31/95/785203195.db2.gz VREKTZJIWPTLRY-CHWSQXEVSA-N 2 0 340.424 -1.362 20 0 EAADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267189431 785202092 /nfs/dbraw/zinc/20/20/92/785202092.db2.gz VREKTZJIWPTLRY-OLZOCXBDSA-N 2 0 340.424 -1.362 20 0 EAADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](O)CN1C(=O)CCC1=O ZINC001267189432 785202742 /nfs/dbraw/zinc/20/27/42/785202742.db2.gz VREKTZJIWPTLRY-QWHCGFSZSA-N 2 0 340.424 -1.362 20 0 EAADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](O)CN1C(=O)CCC1=O ZINC001267189433 785202512 /nfs/dbraw/zinc/20/25/12/785202512.db2.gz VREKTZJIWPTLRY-STQMWFEESA-N 2 0 340.424 -1.362 20 0 EAADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267230250 785208094 /nfs/dbraw/zinc/20/80/94/785208094.db2.gz JQGAMSMCVHCOSX-CHWSQXEVSA-N 2 0 340.424 -1.504 20 0 EAADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267230251 785208740 /nfs/dbraw/zinc/20/87/40/785208740.db2.gz JQGAMSMCVHCOSX-OLZOCXBDSA-N 2 0 340.424 -1.504 20 0 EAADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267230252 785208373 /nfs/dbraw/zinc/20/83/73/785208373.db2.gz JQGAMSMCVHCOSX-QWHCGFSZSA-N 2 0 340.424 -1.504 20 0 EAADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267230253 785209797 /nfs/dbraw/zinc/20/97/97/785209797.db2.gz JQGAMSMCVHCOSX-STQMWFEESA-N 2 0 340.424 -1.504 20 0 EAADRP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267374172 785228414 /nfs/dbraw/zinc/22/84/14/785228414.db2.gz YICVPPMJCKIPOF-CYBMUJFWSA-N 2 0 337.424 -1.072 20 0 EAADRP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267374173 785228437 /nfs/dbraw/zinc/22/84/37/785228437.db2.gz YICVPPMJCKIPOF-ZDUSSCGKSA-N 2 0 337.424 -1.072 20 0 EAADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001267374624 785228506 /nfs/dbraw/zinc/22/85/06/785228506.db2.gz HVSUXUFGZVUFDD-VXGBXAGGSA-N 2 0 325.413 -1.074 20 0 EAADRP CN(CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C(=O)CC[NH+](C)C ZINC001267424100 785236668 /nfs/dbraw/zinc/23/66/68/785236668.db2.gz CRJSLTIXMMJPLV-UHFFFAOYSA-N 2 0 341.456 -1.290 20 0 EAADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001267424860 785236701 /nfs/dbraw/zinc/23/67/01/785236701.db2.gz FYRXETRMDNVMGW-OAHLLOKOSA-N 2 0 341.456 -1.421 20 0 EAADRP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001267429847 785236121 /nfs/dbraw/zinc/23/61/21/785236121.db2.gz HAAATXNTWDQPBW-ZDUSSCGKSA-N 2 0 339.440 -1.028 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001267729956 785280961 /nfs/dbraw/zinc/28/09/61/785280961.db2.gz GBQKJRWAECVGFU-QWHCGFSZSA-N 2 0 340.424 -1.362 20 0 EAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001267729957 785282356 /nfs/dbraw/zinc/28/23/56/785282356.db2.gz GBQKJRWAECVGFU-STQMWFEESA-N 2 0 340.424 -1.362 20 0 EAADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCN1C(=O)CNC1=O ZINC001268014616 785350286 /nfs/dbraw/zinc/35/02/86/785350286.db2.gz VKILUCLSKJHFOC-GFCCVEGCSA-N 2 0 325.413 -1.024 20 0 EAADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCN1C(=O)CNC1=O ZINC001268014617 785350030 /nfs/dbraw/zinc/35/00/30/785350030.db2.gz VKILUCLSKJHFOC-LBPRGKRZSA-N 2 0 325.413 -1.024 20 0 EAADRP O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268308102 785404091 /nfs/dbraw/zinc/40/40/91/785404091.db2.gz KHKPYTQOPSTULG-IJLUTSLNSA-N 2 0 336.396 -1.395 20 0 EAADRP O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268308104 785403947 /nfs/dbraw/zinc/40/39/47/785403947.db2.gz KHKPYTQOPSTULG-QJPTWQEYSA-N 2 0 336.396 -1.395 20 0 EAADRP CS(=O)(=O)NCC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001268314016 785407228 /nfs/dbraw/zinc/40/72/28/785407228.db2.gz WGYWUTRNGFUYML-GFCCVEGCSA-N 2 0 348.469 -1.769 20 0 EAADRP CS(=O)(=O)NCC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001268314026 785408088 /nfs/dbraw/zinc/40/80/88/785408088.db2.gz WGYWUTRNGFUYML-LBPRGKRZSA-N 2 0 348.469 -1.769 20 0 EAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268315946 785409280 /nfs/dbraw/zinc/40/92/80/785409280.db2.gz QDHODPRVVOBVOH-CHWSQXEVSA-N 2 0 340.424 -1.314 20 0 EAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268316004 785409163 /nfs/dbraw/zinc/40/91/63/785409163.db2.gz QDHODPRVVOBVOH-OLZOCXBDSA-N 2 0 340.424 -1.314 20 0 EAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268316005 785409329 /nfs/dbraw/zinc/40/93/29/785409329.db2.gz QDHODPRVVOBVOH-QWHCGFSZSA-N 2 0 340.424 -1.314 20 0 EAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268316006 785409605 /nfs/dbraw/zinc/40/96/05/785409605.db2.gz QDHODPRVVOBVOH-STQMWFEESA-N 2 0 340.424 -1.314 20 0 EAADRP C[NH+]1CCC(CC(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)CC1 ZINC001268326095 785414750 /nfs/dbraw/zinc/41/47/50/785414750.db2.gz WJMHDIFFIPGAOV-AWEZNQCLSA-N 2 0 341.456 -1.190 20 0 EAADRP C[NH+]1CCC(CC(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)CC1 ZINC001268326099 785415095 /nfs/dbraw/zinc/41/50/95/785415095.db2.gz WJMHDIFFIPGAOV-CQSZACIVSA-N 2 0 341.456 -1.190 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001268328455 785416692 /nfs/dbraw/zinc/41/66/92/785416692.db2.gz NEENXANGRMQQFL-CHWSQXEVSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001268328456 785416713 /nfs/dbraw/zinc/41/67/13/785416713.db2.gz NEENXANGRMQQFL-OLZOCXBDSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001268328458 785416607 /nfs/dbraw/zinc/41/66/07/785416607.db2.gz NEENXANGRMQQFL-QWHCGFSZSA-N 2 0 340.424 -1.456 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001268328460 785416780 /nfs/dbraw/zinc/41/67/80/785416780.db2.gz NEENXANGRMQQFL-STQMWFEESA-N 2 0 340.424 -1.456 20 0 EAADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268686538 785465931 /nfs/dbraw/zinc/46/59/31/785465931.db2.gz GDVJZVUFUXEWQZ-AAEUAGOBSA-N 2 0 332.470 -1.028 20 0 EAADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268686539 785466388 /nfs/dbraw/zinc/46/63/88/785466388.db2.gz GDVJZVUFUXEWQZ-WCQYABFASA-N 2 0 332.470 -1.028 20 0 EAADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268704448 785467633 /nfs/dbraw/zinc/46/76/33/785467633.db2.gz DDJZOQVOXRWOGX-NEPJUHHUSA-N 2 0 325.413 -1.026 20 0 EAADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268704449 785467841 /nfs/dbraw/zinc/46/78/41/785467841.db2.gz DDJZOQVOXRWOGX-RYUDHWBXSA-N 2 0 325.413 -1.026 20 0 EAADRP CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268945135 785486760 /nfs/dbraw/zinc/48/67/60/785486760.db2.gz AWXBIDCZWIWTHK-GFCCVEGCSA-N 2 0 325.413 -1.072 20 0 EAADRP CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268945136 785486882 /nfs/dbraw/zinc/48/68/82/785486882.db2.gz AWXBIDCZWIWTHK-LBPRGKRZSA-N 2 0 325.413 -1.072 20 0 EAADRP CN(CC(=O)N1C[C@H]2CN(CCn3ccnc3)C[C@@H](C1)O2)C(N)=[NH2+] ZINC001268996891 785491449 /nfs/dbraw/zinc/49/14/49/785491449.db2.gz QLRNRZWQIJPPNE-BETUJISGSA-N 2 0 335.412 -1.380 20 0 EAADRP CN(CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2)C(N)=[NH2+] ZINC001268997135 785491243 /nfs/dbraw/zinc/49/12/43/785491243.db2.gz VTUAEYDXYBJCPP-CYBMUJFWSA-N 2 0 348.451 -1.033 20 0 EAADRP CN(CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2)C(N)=[NH2+] ZINC001268997139 785491353 /nfs/dbraw/zinc/49/13/53/785491353.db2.gz VTUAEYDXYBJCPP-ZDUSSCGKSA-N 2 0 348.451 -1.033 20 0 EAADRP CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2C1 ZINC001269095190 785504787 /nfs/dbraw/zinc/50/47/87/785504787.db2.gz OZEDPBOURFWOEE-UONOGXRCSA-N 2 0 342.440 -2.106 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCN2C(=O)CNC2=O)C2CC2)C1 ZINC001269144739 785512179 /nfs/dbraw/zinc/51/21/79/785512179.db2.gz INPCXQLCXUXKKD-CHWSQXEVSA-N 2 0 337.424 -1.026 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C2CC2)C1 ZINC001269144740 785512032 /nfs/dbraw/zinc/51/20/32/785512032.db2.gz INPCXQLCXUXKKD-OLZOCXBDSA-N 2 0 337.424 -1.026 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCN2C(=O)CNC2=O)C2CC2)C1 ZINC001269144741 785510730 /nfs/dbraw/zinc/51/07/30/785510730.db2.gz INPCXQLCXUXKKD-QWHCGFSZSA-N 2 0 337.424 -1.026 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C2CC2)C1 ZINC001269144742 785510577 /nfs/dbraw/zinc/51/05/77/785510577.db2.gz INPCXQLCXUXKKD-STQMWFEESA-N 2 0 337.424 -1.026 20 0 EAADRP CN(CC(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1)C(N)=[NH2+] ZINC001269347722 785533920 /nfs/dbraw/zinc/53/39/20/785533920.db2.gz IGUGPTNOVCTIPE-GFCCVEGCSA-N 2 0 336.440 -1.129 20 0 EAADRP CN(CC(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1)C(N)=[NH2+] ZINC001269347723 785534088 /nfs/dbraw/zinc/53/40/88/785534088.db2.gz IGUGPTNOVCTIPE-LBPRGKRZSA-N 2 0 336.440 -1.129 20 0 EAADRP CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1)C(N)=[NH2+] ZINC001269348827 785533712 /nfs/dbraw/zinc/53/37/12/785533712.db2.gz SLHKIEADBDYISN-BDJLRTHQSA-N 2 0 336.440 -1.129 20 0 EAADRP C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379327 785589590 /nfs/dbraw/zinc/58/95/90/785589590.db2.gz NMSBVPDKPZZUKW-NEPJUHHUSA-N 2 0 341.412 -1.789 20 0 EAADRP C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379328 785589644 /nfs/dbraw/zinc/58/96/44/785589644.db2.gz NMSBVPDKPZZUKW-NWDGAFQWSA-N 2 0 341.412 -1.789 20 0 EAADRP C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379329 785589721 /nfs/dbraw/zinc/58/97/21/785589721.db2.gz NMSBVPDKPZZUKW-RYUDHWBXSA-N 2 0 341.412 -1.789 20 0 EAADRP C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379330 785589930 /nfs/dbraw/zinc/58/99/30/785589930.db2.gz NMSBVPDKPZZUKW-VXGBXAGGSA-N 2 0 341.412 -1.789 20 0 EAADRP C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379605 785588866 /nfs/dbraw/zinc/58/88/66/785588866.db2.gz PBTUIWIEQNKFSW-CHWSQXEVSA-N 2 0 340.424 -1.192 20 0 EAADRP C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379606 785589537 /nfs/dbraw/zinc/58/95/37/785589537.db2.gz PBTUIWIEQNKFSW-OLZOCXBDSA-N 2 0 340.424 -1.192 20 0 EAADRP C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379607 785589053 /nfs/dbraw/zinc/58/90/53/785589053.db2.gz PBTUIWIEQNKFSW-QWHCGFSZSA-N 2 0 340.424 -1.192 20 0 EAADRP C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379608 785589889 /nfs/dbraw/zinc/58/98/89/785589889.db2.gz PBTUIWIEQNKFSW-STQMWFEESA-N 2 0 340.424 -1.192 20 0 EAADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H](CO)n3ccnc3)C[C@H](C1)O2 ZINC001270398886 785589673 /nfs/dbraw/zinc/58/96/73/785589673.db2.gz NGCWFFDZMADWAB-QLFBSQMISA-N 2 0 337.424 -1.110 20 0 EAADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H](CO)n3ccnc3)C[C@H](C1)O2 ZINC001270398887 785589102 /nfs/dbraw/zinc/58/91/02/785589102.db2.gz NGCWFFDZMADWAB-ZNMIVQPWSA-N 2 0 337.424 -1.110 20 0 EAADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H](CO)n1ccnc1 ZINC001270398982 785590078 /nfs/dbraw/zinc/59/00/78/785590078.db2.gz PJXBERQHICHGLA-QLFBSQMISA-N 2 0 337.424 -1.110 20 0 EAADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H](CO)n1ccnc1 ZINC001270398983 785589476 /nfs/dbraw/zinc/58/94/76/785589476.db2.gz PJXBERQHICHGLA-ZNMIVQPWSA-N 2 0 337.424 -1.110 20 0 EAADRP CN1C[C@@H](O)C[C@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001271098351 785652997 /nfs/dbraw/zinc/65/29/97/785652997.db2.gz DINHRMUUYWOSQA-STQMWFEESA-N 2 0 340.424 -1.947 20 0 EAADRP CN1C[C@@H](O)C[C@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001271099061 785652943 /nfs/dbraw/zinc/65/29/43/785652943.db2.gz ZSYBZTSFGMQOKC-STQMWFEESA-N 2 0 340.424 -1.947 20 0 EAADRP O=C(NC[C@]1(O)CC[N@@H+](CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001271146335 785661719 /nfs/dbraw/zinc/66/17/19/785661719.db2.gz VQPBFSBWOUFLHG-DOTOQJQBSA-N 2 0 341.452 -1.110 20 0 EAADRP O=C(NC[C@]1(O)CC[N@@H+](CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001271146336 785661007 /nfs/dbraw/zinc/66/10/07/785661007.db2.gz VQPBFSBWOUFLHG-NVXWUHKLSA-N 2 0 341.452 -1.110 20 0 EAADRP O=C(NC[C@@]1(O)CC[N@@H+](CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001271146337 785661447 /nfs/dbraw/zinc/66/14/47/785661447.db2.gz VQPBFSBWOUFLHG-RDJZCZTQSA-N 2 0 341.452 -1.110 20 0 EAADRP O=C(NC[C@@]1(O)CC[N@@H+](CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001271146338 785661507 /nfs/dbraw/zinc/66/15/07/785661507.db2.gz VQPBFSBWOUFLHG-WBVHZDCISA-N 2 0 341.452 -1.110 20 0 EAADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]21 ZINC001271803407 785734729 /nfs/dbraw/zinc/73/47/29/785734729.db2.gz DSNSRWKXWXMNIQ-CABCVRRESA-N 2 0 340.468 -1.084 20 0 EAADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@@H]21 ZINC001271803409 785734782 /nfs/dbraw/zinc/73/47/82/785734782.db2.gz DSNSRWKXWXMNIQ-GJZGRUSLSA-N 2 0 340.468 -1.084 20 0 EAADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C1(O)CC[NH+](C)CC1 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C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001272558711 785996811 /nfs/dbraw/zinc/99/68/11/785996811.db2.gz AUMDARDPJZFDGS-NWDGAFQWSA-N 2 0 341.412 -2.053 20 0 EAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001272558712 785997552 /nfs/dbraw/zinc/99/75/52/785997552.db2.gz AUMDARDPJZFDGS-RYUDHWBXSA-N 2 0 341.412 -2.053 20 0 EAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001272558713 785997307 /nfs/dbraw/zinc/99/73/07/785997307.db2.gz AUMDARDPJZFDGS-VXGBXAGGSA-N 2 0 341.412 -2.053 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1[C@H]2COC[C@@H]1CN(CC[NH+](C)C)C2 ZINC001272565603 786003686 /nfs/dbraw/zinc/00/36/86/786003686.db2.gz NQPJEULDRFHXJJ-OWCLPIDISA-N 2 0 339.484 -1.295 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1[C@H]2COC[C@@H]1CN(CC[NH+](C)C)C2 ZINC001272565604 786003721 /nfs/dbraw/zinc/00/37/21/786003721.db2.gz NQPJEULDRFHXJJ-XHSDSOJGSA-N 2 0 339.484 -1.295 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001272565718 786002728 /nfs/dbraw/zinc/00/27/28/786002728.db2.gz PFHNAXOAQHHTSK-JYJNAYRXSA-N 2 0 339.484 -1.295 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001272565719 786003309 /nfs/dbraw/zinc/00/33/09/786003309.db2.gz PFHNAXOAQHHTSK-OAGGEKHMSA-N 2 0 339.484 -1.295 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001272565720 786003774 /nfs/dbraw/zinc/00/37/74/786003774.db2.gz PFHNAXOAQHHTSK-PMPSAXMXSA-N 2 0 339.484 -1.295 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001272565721 786002949 /nfs/dbraw/zinc/00/29/49/786002949.db2.gz PFHNAXOAQHHTSK-XHSDSOJGSA-N 2 0 339.484 -1.295 20 0 EAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001272566138 786004072 /nfs/dbraw/zinc/00/40/72/786004072.db2.gz WXAJHQUQWKXRGT-OWCLPIDISA-N 2 0 339.484 -1.295 20 0 EAADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001272566139 786004326 /nfs/dbraw/zinc/00/43/26/786004326.db2.gz WXAJHQUQWKXRGT-XHSDSOJGSA-N 2 0 339.484 -1.295 20 0 EAADRP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001273019487 786179798 /nfs/dbraw/zinc/17/97/98/786179798.db2.gz WTJPMCHKEYBRLR-OLZOCXBDSA-N 2 0 341.456 -1.231 20 0 EAADRP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001273019491 786179816 /nfs/dbraw/zinc/17/98/16/786179816.db2.gz WTJPMCHKEYBRLR-STQMWFEESA-N 2 0 341.456 -1.231 20 0 EAADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[NH+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC001273069606 786186397 /nfs/dbraw/zinc/18/63/97/786186397.db2.gz LMUCVIBMAUIZFY-BFHYXJOUSA-N 2 0 336.436 -1.278 20 0 EAADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[NH+]4CC[C@H](O)C4)CC3)[C@H]2C1 ZINC001273069614 786186148 /nfs/dbraw/zinc/18/61/48/786186148.db2.gz LMUCVIBMAUIZFY-IHRRRGAJSA-N 2 0 336.436 -1.278 20 0 EAADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[NH+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC001273069616 786186727 /nfs/dbraw/zinc/18/67/27/786186727.db2.gz LMUCVIBMAUIZFY-MGPQQGTHSA-N 2 0 336.436 -1.278 20 0 EAADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[NH+]4CC[C@@H](O)C4)CC3)[C@H]2C1 ZINC001273069617 786186769 /nfs/dbraw/zinc/18/67/69/786186769.db2.gz LMUCVIBMAUIZFY-RDBSUJKOSA-N 2 0 336.436 -1.278 20 0 EAADRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001273123559 786195335 /nfs/dbraw/zinc/19/53/35/786195335.db2.gz WTJPMCHKEYBRLR-CHWSQXEVSA-N 2 0 341.456 -1.231 20 0 EAADRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001273123560 786195268 /nfs/dbraw/zinc/19/52/68/786195268.db2.gz WTJPMCHKEYBRLR-QWHCGFSZSA-N 2 0 341.456 -1.231 20 0 EAADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001273308601 786430445 /nfs/dbraw/zinc/43/04/45/786430445.db2.gz MQWIYAANKGHAPW-GFCCVEGCSA-N 2 0 336.458 -1.696 20 0 EAADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001273308602 786430334 /nfs/dbraw/zinc/43/03/34/786430334.db2.gz MQWIYAANKGHAPW-LBPRGKRZSA-N 2 0 336.458 -1.696 20 0 EAADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273309290 786429800 /nfs/dbraw/zinc/42/98/00/786429800.db2.gz WDBDOBYUSSEJNL-CYBMUJFWSA-N 2 0 327.429 -1.220 20 0 EAADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273309291 786429874 /nfs/dbraw/zinc/42/98/74/786429874.db2.gz WDBDOBYUSSEJNL-ZDUSSCGKSA-N 2 0 327.429 -1.220 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001273359616 786439704 /nfs/dbraw/zinc/43/97/04/786439704.db2.gz ZYKKEFYMCDADHM-CHWSQXEVSA-N 2 0 348.469 -1.696 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001273359617 786440149 /nfs/dbraw/zinc/44/01/49/786440149.db2.gz ZYKKEFYMCDADHM-OLZOCXBDSA-N 2 0 348.469 -1.696 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001273359618 786440075 /nfs/dbraw/zinc/44/00/75/786440075.db2.gz ZYKKEFYMCDADHM-QWHCGFSZSA-N 2 0 348.469 -1.696 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001273359619 786439786 /nfs/dbraw/zinc/43/97/86/786439786.db2.gz ZYKKEFYMCDADHM-STQMWFEESA-N 2 0 348.469 -1.696 20 0 EAADRP C[NH+]1CCC(OCC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001274473598 791484021 /nfs/dbraw/zinc/48/40/21/791484021.db2.gz VRVSNLVYSUUXCA-IHWYPQMZSA-N 2 0 341.412 -1.446 20 0 EAADRP C[NH+]1CCC(OCC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001274473599 791483679 /nfs/dbraw/zinc/48/36/79/791483679.db2.gz VRVSNLVYSUUXCA-NSCUHMNNSA-N 2 0 341.412 -1.446 20 0 EAADRP C[NH+](C)CCC(=O)N1CCC(O)(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001274550741 791489481 /nfs/dbraw/zinc/48/94/81/791489481.db2.gz ZWEPNEQBHNJPLP-UHFFFAOYSA-N 2 0 335.470 -1.074 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)C1 ZINC001274580853 791495947 /nfs/dbraw/zinc/49/59/47/791495947.db2.gz LYANMSSBOFFTJS-AWEZNQCLSA-N 2 0 329.441 -1.110 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)C1 ZINC001274580854 791495599 /nfs/dbraw/zinc/49/55/99/791495599.db2.gz LYANMSSBOFFTJS-CQSZACIVSA-N 2 0 329.441 -1.110 20 0 EAADRP COC(=O)[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274603890 791497554 /nfs/dbraw/zinc/49/75/54/791497554.db2.gz JYPBZINXPXRBCS-BBRMVZONSA-N 2 0 343.424 -1.367 20 0 EAADRP COC(=O)[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274603891 791496919 /nfs/dbraw/zinc/49/69/19/791496919.db2.gz JYPBZINXPXRBCS-CJNGLKHVSA-N 2 0 343.424 -1.367 20 0 EAADRP COC(=O)[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274603892 791497762 /nfs/dbraw/zinc/49/77/62/791497762.db2.gz JYPBZINXPXRBCS-CZUORRHYSA-N 2 0 343.424 -1.367 20 0 EAADRP COC(=O)[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274603893 791496827 /nfs/dbraw/zinc/49/68/27/791496827.db2.gz JYPBZINXPXRBCS-XJKSGUPXSA-N 2 0 343.424 -1.367 20 0 EAADRP COC(=O)[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274604370 791498846 /nfs/dbraw/zinc/49/88/46/791498846.db2.gz UFZWXCLNWQKVEE-DOMZBBRYSA-N 2 0 329.397 -1.615 20 0 EAADRP COC(=O)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274604371 791498564 /nfs/dbraw/zinc/49/85/64/791498564.db2.gz UFZWXCLNWQKVEE-IUODEOHRSA-N 2 0 329.397 -1.615 20 0 EAADRP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274604398 791498827 /nfs/dbraw/zinc/49/88/27/791498827.db2.gz UFZWXCLNWQKVEE-SWLSCSKDSA-N 2 0 329.397 -1.615 20 0 EAADRP COC(=O)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274604399 791499028 /nfs/dbraw/zinc/49/90/28/791499028.db2.gz UFZWXCLNWQKVEE-WFASDCNBSA-N 2 0 329.397 -1.615 20 0 EAADRP COC(=O)[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274604738 791498782 /nfs/dbraw/zinc/49/87/82/791498782.db2.gz XGSRQKHVPUUVAG-BLLLJJGKSA-N 2 0 341.408 -1.077 20 0 EAADRP COC(=O)[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274604739 791498792 /nfs/dbraw/zinc/49/87/92/791498792.db2.gz XGSRQKHVPUUVAG-LRDDRELGSA-N 2 0 341.408 -1.077 20 0 EAADRP COC(=O)[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274604740 791498712 /nfs/dbraw/zinc/49/87/12/791498712.db2.gz XGSRQKHVPUUVAG-MLGOLLRUSA-N 2 0 341.408 -1.077 20 0 EAADRP COC(=O)[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274604741 791498206 /nfs/dbraw/zinc/49/82/06/791498206.db2.gz XGSRQKHVPUUVAG-WBMJQRKESA-N 2 0 341.408 -1.077 20 0 EAADRP C[NH+](C)CCNC(=S)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274880692 791516630 /nfs/dbraw/zinc/51/66/30/791516630.db2.gz VCMLEDAWKGBJMC-UHFFFAOYSA-N 2 0 343.497 -1.103 20 0 EAADRP C[NH+](C)CCNC(=S)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274880760 791517097 /nfs/dbraw/zinc/51/70/97/791517097.db2.gz XTHCMOAFGVCLJM-UHFFFAOYSA-N 2 0 343.497 -1.103 20 0 EAADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCN1C(=O)CNC1=O ZINC001276002936 791563557 /nfs/dbraw/zinc/56/35/57/791563557.db2.gz OIRBQBVWQDLUSE-NEPJUHHUSA-N 2 0 325.413 -1.074 20 0 EAADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCN1C(=O)CNC1=O ZINC001276002937 791564090 /nfs/dbraw/zinc/56/40/90/791564090.db2.gz OIRBQBVWQDLUSE-NWDGAFQWSA-N 2 0 325.413 -1.074 20 0 EAADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCN1C(=O)CNC1=O ZINC001276002939 791563868 /nfs/dbraw/zinc/56/38/68/791563868.db2.gz OIRBQBVWQDLUSE-RYUDHWBXSA-N 2 0 325.413 -1.074 20 0 EAADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCN1C(=O)CNC1=O ZINC001276002941 791563675 /nfs/dbraw/zinc/56/36/75/791563675.db2.gz OIRBQBVWQDLUSE-VXGBXAGGSA-N 2 0 325.413 -1.074 20 0 EAADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001276305528 791647377 /nfs/dbraw/zinc/64/73/77/791647377.db2.gz HIQHWHGPWREYRA-UHFFFAOYSA-N 2 0 343.428 -1.270 20 0 EAADRP C[N@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC(=O)NC1=O ZINC001277476244 794585612 /nfs/dbraw/zinc/58/56/12/794585612.db2.gz RYHHYLQBTIILBX-CHWSQXEVSA-N 2 0 340.424 -1.050 20 0 EAADRP C[N@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC(=O)NC1=O ZINC001277476245 794585680 /nfs/dbraw/zinc/58/56/80/794585680.db2.gz RYHHYLQBTIILBX-OLZOCXBDSA-N 2 0 340.424 -1.050 20 0 EAADRP C[N@H+](CCOCCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC(=O)NC1=O ZINC001277476246 794585885 /nfs/dbraw/zinc/58/58/85/794585885.db2.gz RYHHYLQBTIILBX-QWHCGFSZSA-N 2 0 340.424 -1.050 20 0 EAADRP C[N@H+](CCOCCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC(=O)NC1=O ZINC001277476247 794586031 /nfs/dbraw/zinc/58/60/31/794586031.db2.gz RYHHYLQBTIILBX-STQMWFEESA-N 2 0 340.424 -1.050 20 0 EAADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(CC(=O)N3CCN(C)CC3)C2)C1 ZINC001277632018 794598120 /nfs/dbraw/zinc/59/81/20/794598120.db2.gz ORXCYKBSXXQDAA-UHFFFAOYSA-N 2 0 337.468 -1.144 20 0 EAADRP CN(C)C(=O)CNC(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277822196 794611347 /nfs/dbraw/zinc/61/13/47/794611347.db2.gz RSOKQMKVPGOVKN-QWHCGFSZSA-N 2 0 337.424 -1.123 20 0 EAADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001277957909 794641416 /nfs/dbraw/zinc/64/14/16/794641416.db2.gz FGHLUNXEWMWONZ-BFHYXJOUSA-N 2 0 338.452 -1.032 20 0 EAADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001277957914 794640910 /nfs/dbraw/zinc/64/09/10/794640910.db2.gz FGHLUNXEWMWONZ-IHRRRGAJSA-N 2 0 338.452 -1.032 20 0 EAADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001277957919 794641528 /nfs/dbraw/zinc/64/15/28/794641528.db2.gz FGHLUNXEWMWONZ-MGPQQGTHSA-N 2 0 338.452 -1.032 20 0 EAADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001277957925 794640877 /nfs/dbraw/zinc/64/08/77/794640877.db2.gz FGHLUNXEWMWONZ-RDBSUJKOSA-N 2 0 338.452 -1.032 20 0 EAADRP C[C@H](CN(C)C(=O)Cc1cncn1C)[NH2+]CCN1C(=O)CNC1=O ZINC001277987676 794644485 /nfs/dbraw/zinc/64/44/85/794644485.db2.gz JFOVPTYEHLYBCJ-LLVKDONJSA-N 2 0 336.396 -1.049 20 0 EAADRP C[C@@H](CN(C)C(=O)Cc1cncn1C)[NH2+]CCN1C(=O)CNC1=O ZINC001277987677 794643759 /nfs/dbraw/zinc/64/37/59/794643759.db2.gz JFOVPTYEHLYBCJ-NSHDSACASA-N 2 0 336.396 -1.049 20 0 EAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278138455 794654524 /nfs/dbraw/zinc/65/45/24/794654524.db2.gz MDXHBWJJAAALKL-NEPJUHHUSA-N 2 0 336.458 -1.913 20 0 EAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278138457 794654319 /nfs/dbraw/zinc/65/43/19/794654319.db2.gz MDXHBWJJAAALKL-RYUDHWBXSA-N 2 0 336.458 -1.913 20 0 EAADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001278172891 794658765 /nfs/dbraw/zinc/65/87/65/794658765.db2.gz YUVFFKAWCGMFQT-CHWSQXEVSA-N 2 0 340.424 -1.410 20 0 EAADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001278172893 794658984 /nfs/dbraw/zinc/65/89/84/794658984.db2.gz YUVFFKAWCGMFQT-OLZOCXBDSA-N 2 0 340.424 -1.410 20 0 EAADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001278172894 794658938 /nfs/dbraw/zinc/65/89/38/794658938.db2.gz YUVFFKAWCGMFQT-QWHCGFSZSA-N 2 0 340.424 -1.410 20 0 EAADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001278172898 794658871 /nfs/dbraw/zinc/65/88/71/794658871.db2.gz YUVFFKAWCGMFQT-STQMWFEESA-N 2 0 340.424 -1.410 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278195492 794661316 /nfs/dbraw/zinc/66/13/16/794661316.db2.gz TUWDXGFVAFKIDK-GHMZBOCLSA-N 2 0 327.385 -2.443 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278195497 794661397 /nfs/dbraw/zinc/66/13/97/794661397.db2.gz TUWDXGFVAFKIDK-MNOVXSKESA-N 2 0 327.385 -2.443 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278195499 794661502 /nfs/dbraw/zinc/66/15/02/794661502.db2.gz TUWDXGFVAFKIDK-QWRGUYRKSA-N 2 0 327.385 -2.443 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278195500 794662230 /nfs/dbraw/zinc/66/22/30/794662230.db2.gz TUWDXGFVAFKIDK-WDEREUQCSA-N 2 0 327.385 -2.443 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001278757069 794699683 /nfs/dbraw/zinc/69/96/83/794699683.db2.gz YXLTWAFLHXFFEU-KBPBESRZSA-N 2 0 347.481 -1.218 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001278757070 794699007 /nfs/dbraw/zinc/69/90/07/794699007.db2.gz YXLTWAFLHXFFEU-KGLIPLIRSA-N 2 0 347.481 -1.218 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001278757072 794699045 /nfs/dbraw/zinc/69/90/45/794699045.db2.gz YXLTWAFLHXFFEU-UONOGXRCSA-N 2 0 347.481 -1.218 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001278757073 794699339 /nfs/dbraw/zinc/69/93/39/794699339.db2.gz YXLTWAFLHXFFEU-ZIAGYGMSSA-N 2 0 347.481 -1.218 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001278766903 794706721 /nfs/dbraw/zinc/70/67/21/794706721.db2.gz CTHNMSDSPJXGNF-NEPJUHHUSA-N 2 0 340.424 -1.315 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001278766910 794706611 /nfs/dbraw/zinc/70/66/11/794706611.db2.gz CTHNMSDSPJXGNF-NWDGAFQWSA-N 2 0 340.424 -1.315 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001278766912 794705905 /nfs/dbraw/zinc/70/59/05/794705905.db2.gz CTHNMSDSPJXGNF-RYUDHWBXSA-N 2 0 340.424 -1.315 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001278766914 794706708 /nfs/dbraw/zinc/70/67/08/794706708.db2.gz CTHNMSDSPJXGNF-VXGBXAGGSA-N 2 0 340.424 -1.315 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278773627 794708241 /nfs/dbraw/zinc/70/82/41/794708241.db2.gz IIESDWQMALESGK-KBPBESRZSA-N 2 0 341.456 -1.095 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278773628 794706986 /nfs/dbraw/zinc/70/69/86/794706986.db2.gz IIESDWQMALESGK-KGLIPLIRSA-N 2 0 341.456 -1.095 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001278773629 794707567 /nfs/dbraw/zinc/70/75/67/794707567.db2.gz IIESDWQMALESGK-UONOGXRCSA-N 2 0 341.456 -1.095 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001278773630 794707499 /nfs/dbraw/zinc/70/74/99/794707499.db2.gz IIESDWQMALESGK-ZIAGYGMSSA-N 2 0 341.456 -1.095 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001278826792 794722220 /nfs/dbraw/zinc/72/22/20/794722220.db2.gz ISTUWUKKZGCJPJ-GFCCVEGCSA-N 2 0 348.469 -1.960 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001278826794 794722238 /nfs/dbraw/zinc/72/22/38/794722238.db2.gz ISTUWUKKZGCJPJ-LBPRGKRZSA-N 2 0 348.469 -1.960 20 0 EAADRP O=C(C[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001279716390 794905081 /nfs/dbraw/zinc/90/50/81/794905081.db2.gz AEYRWEDYWMGZIT-HNNXBMFYSA-N 2 0 338.452 -1.029 20 0 EAADRP O=C(C[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001279716391 794905463 /nfs/dbraw/zinc/90/54/63/794905463.db2.gz AEYRWEDYWMGZIT-OAHLLOKOSA-N 2 0 338.452 -1.029 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001279791277 794907547 /nfs/dbraw/zinc/90/75/47/794907547.db2.gz DHBLZBSFPBLFOC-UONOGXRCSA-N 2 0 347.481 -1.074 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001279791278 794906868 /nfs/dbraw/zinc/90/68/68/794906868.db2.gz DHBLZBSFPBLFOC-ZIAGYGMSSA-N 2 0 347.481 -1.074 20 0 EAADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001279791905 794906851 /nfs/dbraw/zinc/90/68/51/794906851.db2.gz LBENYSRCDQNWOM-CYBMUJFWSA-N 2 0 327.429 -1.484 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)C1 ZINC001279831542 794908421 /nfs/dbraw/zinc/90/84/21/794908421.db2.gz ZZGHYWXYUANJSV-AWEZNQCLSA-N 2 0 326.441 -1.029 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)C1 ZINC001279831544 794908098 /nfs/dbraw/zinc/90/80/98/794908098.db2.gz ZZGHYWXYUANJSV-CQSZACIVSA-N 2 0 326.441 -1.029 20 0 EAADRP NC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001279886903 794910309 /nfs/dbraw/zinc/91/03/09/794910309.db2.gz VIBIVOFOKNTPDR-UHFFFAOYSA-N 2 0 327.385 -2.312 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]CCN2CCNC2=O)C1 ZINC001279901797 794911406 /nfs/dbraw/zinc/91/14/06/794911406.db2.gz RVWAVLBKYRCSKV-CYBMUJFWSA-N 2 0 327.429 -1.626 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]CCN2CCNC2=O)C1 ZINC001279901798 794911824 /nfs/dbraw/zinc/91/18/24/794911824.db2.gz RVWAVLBKYRCSKV-ZDUSSCGKSA-N 2 0 327.429 -1.626 20 0 EAADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]CC(=O)N1CCOCC1 ZINC001279901806 794911428 /nfs/dbraw/zinc/91/14/28/794911428.db2.gz SBPRKACDGPMOAJ-UHFFFAOYSA-N 2 0 342.440 -1.649 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001279901924 785489131 /nfs/dbraw/zinc/48/91/31/785489131.db2.gz XCFLZJPCCZQNED-NEPJUHHUSA-N 2 0 326.397 -1.846 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001279901925 785489350 /nfs/dbraw/zinc/48/93/50/785489350.db2.gz XCFLZJPCCZQNED-NWDGAFQWSA-N 2 0 326.397 -1.846 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001279901926 785488864 /nfs/dbraw/zinc/48/88/64/785488864.db2.gz XCFLZJPCCZQNED-RYUDHWBXSA-N 2 0 326.397 -1.846 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001279901927 785489556 /nfs/dbraw/zinc/48/95/56/785489556.db2.gz XCFLZJPCCZQNED-VXGBXAGGSA-N 2 0 326.397 -1.846 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)cn1 ZINC001280650769 794932920 /nfs/dbraw/zinc/93/29/20/794932920.db2.gz YXWZTHFNZCRMLU-AWEZNQCLSA-N 2 0 325.413 -1.132 20 0 EAADRP C[NH+](C)CCn1cc(C(=O)N2CCO[C@H](C[NH2+]CCO)C2)cn1 ZINC001280650770 794932445 /nfs/dbraw/zinc/93/24/45/794932445.db2.gz YXWZTHFNZCRMLU-CQSZACIVSA-N 2 0 325.413 -1.132 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001280659170 794933412 /nfs/dbraw/zinc/93/34/12/794933412.db2.gz IGZGEDDURTUKNO-CHWSQXEVSA-N 2 0 340.424 -1.050 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001280659172 794934068 /nfs/dbraw/zinc/93/40/68/794934068.db2.gz IGZGEDDURTUKNO-OLZOCXBDSA-N 2 0 340.424 -1.050 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001280659173 794933682 /nfs/dbraw/zinc/93/36/82/794933682.db2.gz IGZGEDDURTUKNO-QWHCGFSZSA-N 2 0 340.424 -1.050 20 0 EAADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001280659174 794933633 /nfs/dbraw/zinc/93/36/33/794933633.db2.gz IGZGEDDURTUKNO-STQMWFEESA-N 2 0 340.424 -1.050 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001281679517 795031077 /nfs/dbraw/zinc/03/10/77/795031077.db2.gz UMRHXCUZOIMRGS-ZIAGYGMSSA-N 2 0 344.456 -1.407 20 0 EAADRP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCOCCO)CC2)C1 ZINC001281821289 795039447 /nfs/dbraw/zinc/03/94/47/795039447.db2.gz RUKZMJQTKQRVKL-AWEZNQCLSA-N 2 0 329.441 -1.110 20 0 EAADRP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CCOCCO)CC2)C1 ZINC001281821290 795039037 /nfs/dbraw/zinc/03/90/37/795039037.db2.gz RUKZMJQTKQRVKL-CQSZACIVSA-N 2 0 329.441 -1.110 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001281918384 795049017 /nfs/dbraw/zinc/04/90/17/795049017.db2.gz WUTBIFGGQWAADB-MCIONIFRSA-N 2 0 342.440 -1.653 20 0 EAADRP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001282885625 788387814 /nfs/dbraw/zinc/38/78/14/788387814.db2.gz NAACJRFTZDAEEN-ZSOGYDGISA-N 2 0 349.435 -1.072 20 0 EAADRP O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001283759222 788482210 /nfs/dbraw/zinc/48/22/10/788482210.db2.gz GDPQWYWHOVHBQE-CABCVRRESA-N 2 0 338.452 -1.079 20 0 EAADRP O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001283759223 788482347 /nfs/dbraw/zinc/48/23/47/788482347.db2.gz GDPQWYWHOVHBQE-GJZGRUSLSA-N 2 0 338.452 -1.079 20 0 EAADRP O=C(NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001283759224 788482997 /nfs/dbraw/zinc/48/29/97/788482997.db2.gz GDPQWYWHOVHBQE-HUUCEWRRSA-N 2 0 338.452 -1.079 20 0 EAADRP O=C(NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001283759225 788482338 /nfs/dbraw/zinc/48/23/38/788482338.db2.gz GDPQWYWHOVHBQE-LSDHHAIUSA-N 2 0 338.452 -1.079 20 0 EAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283771983 788485893 /nfs/dbraw/zinc/48/58/93/788485893.db2.gz MDXHBWJJAAALKL-NWDGAFQWSA-N 2 0 336.458 -1.913 20 0 EAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283771984 788485471 /nfs/dbraw/zinc/48/54/71/788485471.db2.gz MDXHBWJJAAALKL-VXGBXAGGSA-N 2 0 336.458 -1.913 20 0 EAADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001283804439 788491012 /nfs/dbraw/zinc/49/10/12/788491012.db2.gz QAQWUDPZMOBSCH-CYBMUJFWSA-N 2 0 340.424 -1.456 20 0 EAADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001283804440 788490542 /nfs/dbraw/zinc/49/05/42/788490542.db2.gz QAQWUDPZMOBSCH-ZDUSSCGKSA-N 2 0 340.424 -1.456 20 0 EAADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283827323 788500644 /nfs/dbraw/zinc/50/06/44/788500644.db2.gz KBQAJOVYZOTLNL-LLVKDONJSA-N 2 0 327.385 -2.299 20 0 EAADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001283827324 788500675 /nfs/dbraw/zinc/50/06/75/788500675.db2.gz KBQAJOVYZOTLNL-NSHDSACASA-N 2 0 327.385 -2.299 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284405603 788554340 /nfs/dbraw/zinc/55/43/40/788554340.db2.gz VYWZZPMPQGSOLJ-CHWSQXEVSA-N 2 0 340.424 -1.362 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001284405604 788553970 /nfs/dbraw/zinc/55/39/70/788553970.db2.gz VYWZZPMPQGSOLJ-OLZOCXBDSA-N 2 0 340.424 -1.362 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284405606 788554627 /nfs/dbraw/zinc/55/46/27/788554627.db2.gz VYWZZPMPQGSOLJ-QWHCGFSZSA-N 2 0 340.424 -1.362 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001284405607 788554499 /nfs/dbraw/zinc/55/44/99/788554499.db2.gz VYWZZPMPQGSOLJ-STQMWFEESA-N 2 0 340.424 -1.362 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001284405895 788554423 /nfs/dbraw/zinc/55/44/23/788554423.db2.gz ZGXGWTPMIWGNND-NEPJUHHUSA-N 2 0 341.412 -1.959 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284405896 788554161 /nfs/dbraw/zinc/55/41/61/788554161.db2.gz ZGXGWTPMIWGNND-NWDGAFQWSA-N 2 0 341.412 -1.959 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001284405897 788553827 /nfs/dbraw/zinc/55/38/27/788553827.db2.gz ZGXGWTPMIWGNND-RYUDHWBXSA-N 2 0 341.412 -1.959 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284405898 788554114 /nfs/dbraw/zinc/55/41/14/788554114.db2.gz ZGXGWTPMIWGNND-VXGBXAGGSA-N 2 0 341.412 -1.959 20 0 EAADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001284415131 788555751 /nfs/dbraw/zinc/55/57/51/788555751.db2.gz BJHDXUHAGXJDBY-HZSPNIEDSA-N 2 0 341.456 -1.239 20 0 EAADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001284415132 788555207 /nfs/dbraw/zinc/55/52/07/788555207.db2.gz BJHDXUHAGXJDBY-MGPQQGTHSA-N 2 0 341.456 -1.239 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CCC[NH+](C)C ZINC001284443743 788560159 /nfs/dbraw/zinc/56/01/59/788560159.db2.gz FRKGAQLULXXOCA-NEPJUHHUSA-N 2 0 328.413 -1.458 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CCC[NH+](C)C ZINC001284443744 788559654 /nfs/dbraw/zinc/55/96/54/788559654.db2.gz FRKGAQLULXXOCA-NWDGAFQWSA-N 2 0 328.413 -1.458 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CCC[NH+](C)C ZINC001284443745 788559503 /nfs/dbraw/zinc/55/95/03/788559503.db2.gz FRKGAQLULXXOCA-RYUDHWBXSA-N 2 0 328.413 -1.458 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CCC[NH+](C)C ZINC001284443746 788560381 /nfs/dbraw/zinc/56/03/81/788560381.db2.gz FRKGAQLULXXOCA-VXGBXAGGSA-N 2 0 328.413 -1.458 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001284445959 788560506 /nfs/dbraw/zinc/56/05/06/788560506.db2.gz XMDFJJWEJHPHQL-CHWSQXEVSA-N 2 0 340.424 -1.458 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001284445960 788560085 /nfs/dbraw/zinc/56/00/85/788560085.db2.gz XMDFJJWEJHPHQL-OLZOCXBDSA-N 2 0 340.424 -1.458 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001284445961 788560833 /nfs/dbraw/zinc/56/08/33/788560833.db2.gz XMDFJJWEJHPHQL-QWHCGFSZSA-N 2 0 340.424 -1.458 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001284445962 788560648 /nfs/dbraw/zinc/56/06/48/788560648.db2.gz XMDFJJWEJHPHQL-STQMWFEESA-N 2 0 340.424 -1.458 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001284447621 788561236 /nfs/dbraw/zinc/56/12/36/788561236.db2.gz HETSBPUIHXGESI-KBPBESRZSA-N 2 0 341.456 -1.238 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001284447659 788562413 /nfs/dbraw/zinc/56/24/13/788562413.db2.gz HETSBPUIHXGESI-KGLIPLIRSA-N 2 0 341.456 -1.238 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001284447661 788561775 /nfs/dbraw/zinc/56/17/75/788561775.db2.gz HETSBPUIHXGESI-UONOGXRCSA-N 2 0 341.456 -1.238 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001284447663 788561463 /nfs/dbraw/zinc/56/14/63/788561463.db2.gz HETSBPUIHXGESI-ZIAGYGMSSA-N 2 0 341.456 -1.238 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001284448733 788561942 /nfs/dbraw/zinc/56/19/42/788561942.db2.gz SDNNPFFQAGTGSD-CHWSQXEVSA-N 2 0 335.470 -1.218 20 0 EAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001284448734 788562225 /nfs/dbraw/zinc/56/22/25/788562225.db2.gz SDNNPFFQAGTGSD-OLZOCXBDSA-N 2 0 335.470 -1.218 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001284448735 788561525 /nfs/dbraw/zinc/56/15/25/788561525.db2.gz SDNNPFFQAGTGSD-QWHCGFSZSA-N 2 0 335.470 -1.218 20 0 EAADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001284448736 788562028 /nfs/dbraw/zinc/56/20/28/788562028.db2.gz SDNNPFFQAGTGSD-STQMWFEESA-N 2 0 335.470 -1.218 20 0 EAADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001284455529 788562188 /nfs/dbraw/zinc/56/21/88/788562188.db2.gz DZIKQIPIQMVCKT-NEPJUHHUSA-N 2 0 328.413 -1.458 20 0 EAADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001284455530 788561194 /nfs/dbraw/zinc/56/11/94/788561194.db2.gz DZIKQIPIQMVCKT-NWDGAFQWSA-N 2 0 328.413 -1.458 20 0 EAADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001284455531 788562143 /nfs/dbraw/zinc/56/21/43/788562143.db2.gz DZIKQIPIQMVCKT-RYUDHWBXSA-N 2 0 328.413 -1.458 20 0 EAADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001284455532 788562106 /nfs/dbraw/zinc/56/21/06/788562106.db2.gz DZIKQIPIQMVCKT-VXGBXAGGSA-N 2 0 328.413 -1.458 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001284455881 788562329 /nfs/dbraw/zinc/56/23/29/788562329.db2.gz IFTNEKTYNSLZKO-CYBMUJFWSA-N 2 0 339.440 -1.484 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001284455882 788562019 /nfs/dbraw/zinc/56/20/19/788562019.db2.gz IFTNEKTYNSLZKO-ZDUSSCGKSA-N 2 0 339.440 -1.484 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001284456564 788564189 /nfs/dbraw/zinc/56/41/89/788564189.db2.gz MTHPVSZDTZUOKJ-NEPJUHHUSA-N 2 0 338.408 -1.704 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001284456565 788563753 /nfs/dbraw/zinc/56/37/53/788563753.db2.gz MTHPVSZDTZUOKJ-NWDGAFQWSA-N 2 0 338.408 -1.704 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001284456566 788563137 /nfs/dbraw/zinc/56/31/37/788563137.db2.gz MTHPVSZDTZUOKJ-RYUDHWBXSA-N 2 0 338.408 -1.704 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001284456567 788563662 /nfs/dbraw/zinc/56/36/62/788563662.db2.gz MTHPVSZDTZUOKJ-VXGBXAGGSA-N 2 0 338.408 -1.704 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001284458101 788563910 /nfs/dbraw/zinc/56/39/10/788563910.db2.gz ZAFWYBPEYGHNFP-CHWSQXEVSA-N 2 0 335.470 -1.218 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001284458102 788563965 /nfs/dbraw/zinc/56/39/65/788563965.db2.gz ZAFWYBPEYGHNFP-OLZOCXBDSA-N 2 0 335.470 -1.218 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001284458103 788563027 /nfs/dbraw/zinc/56/30/27/788563027.db2.gz ZAFWYBPEYGHNFP-QWHCGFSZSA-N 2 0 335.470 -1.218 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001284458104 788563426 /nfs/dbraw/zinc/56/34/26/788563426.db2.gz ZAFWYBPEYGHNFP-STQMWFEESA-N 2 0 335.470 -1.218 20 0 EAADRP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001284466183 788564546 /nfs/dbraw/zinc/56/45/46/788564546.db2.gz ACTIHVWKWRFZDS-CYBMUJFWSA-N 2 0 327.429 -1.484 20 0 EAADRP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001284466184 788565066 /nfs/dbraw/zinc/56/50/66/788565066.db2.gz ACTIHVWKWRFZDS-ZDUSSCGKSA-N 2 0 327.429 -1.484 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C[NH+]1CCCC1 ZINC001284470529 788564814 /nfs/dbraw/zinc/56/48/14/788564814.db2.gz WJGDTDDYMVEKOU-NEPJUHHUSA-N 2 0 326.397 -1.704 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C[NH+]1CCCC1 ZINC001284470530 788565701 /nfs/dbraw/zinc/56/57/01/788565701.db2.gz WJGDTDDYMVEKOU-NWDGAFQWSA-N 2 0 326.397 -1.704 20 0 EAADRP CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C[NH+]1CCCC1 ZINC001284470531 788565364 /nfs/dbraw/zinc/56/53/64/788565364.db2.gz WJGDTDDYMVEKOU-RYUDHWBXSA-N 2 0 326.397 -1.704 20 0 EAADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C[NH+]1CCCC1 ZINC001284470532 788564755 /nfs/dbraw/zinc/56/47/55/788564755.db2.gz WJGDTDDYMVEKOU-VXGBXAGGSA-N 2 0 326.397 -1.704 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCC(=O)NC1=O ZINC001284520703 788573912 /nfs/dbraw/zinc/57/39/12/788573912.db2.gz WXRKEHCJNRESRF-CHWSQXEVSA-N 2 0 342.440 -1.117 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCC(=O)NC1=O ZINC001284520705 788574518 /nfs/dbraw/zinc/57/45/18/788574518.db2.gz WXRKEHCJNRESRF-OLZOCXBDSA-N 2 0 342.440 -1.117 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(=O)NC1=O ZINC001284520706 788574240 /nfs/dbraw/zinc/57/42/40/788574240.db2.gz WXRKEHCJNRESRF-QWHCGFSZSA-N 2 0 342.440 -1.117 20 0 EAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCC(=O)NC1=O ZINC001284520708 788574862 /nfs/dbraw/zinc/57/48/62/788574862.db2.gz WXRKEHCJNRESRF-STQMWFEESA-N 2 0 342.440 -1.117 20 0 EAADRP C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001289150408 788846073 /nfs/dbraw/zinc/84/60/73/788846073.db2.gz WUTBIFGGQWAADB-MGPQQGTHSA-N 2 0 342.440 -1.653 20 0 EAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001313009549 789155298 /nfs/dbraw/zinc/15/52/98/789155298.db2.gz MEMAJOMLWGSRDW-OLZOCXBDSA-N 2 0 327.429 -1.308 20 0 EAADRP