smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[NH2+]CCC[NH+]1CCCCC1 20128847 537782246 /nfs/dbraw/zinc/78/22/46/537782246.db2.gz HSQMNXPVQIZTBO-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 20128846 537782548 /nfs/dbraw/zinc/78/25/48/537782548.db2.gz HSQMNXPVQIZTBO-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 37478470 537817368 /nfs/dbraw/zinc/81/73/68/537817368.db2.gz ZMYSVWCQNIBWDO-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 37484168 537814430 /nfs/dbraw/zinc/81/44/30/537814430.db2.gz HISKCEKMFDWWPD-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 37484169 537814965 /nfs/dbraw/zinc/81/49/65/537814965.db2.gz HISKCEKMFDWWPD-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC1(C[NH3+])CCC([NH2+]C2CCC2)CC1 685946301 537815288 /nfs/dbraw/zinc/81/52/88/537815288.db2.gz NNIYRFBJXOVZOH-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 37484171 537815233 /nfs/dbraw/zinc/81/52/33/537815233.db2.gz HISKCEKMFDWWPD-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[NH2+]C[C@H]1CC[N@H+](CC)C1 37484237 537815354 /nfs/dbraw/zinc/81/53/54/537815354.db2.gz RRVJLTPCTWPKDG-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC1(C[NH3+])CCC([NH2+]C(C)(C)C)CC1 685945786 537815801 /nfs/dbraw/zinc/81/58/01/537815801.db2.gz AMNVBQPLWXCFIJ-UHFFFAOYSA-N 2 0 198.354 2.282 10 0 AEAERP CC[N@H+](CCC[NH2+]C1CC1)CC(C)C 37478572 537816000 /nfs/dbraw/zinc/81/60/00/537816000.db2.gz HPVWRETUAWJYOI-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[NH2+]C1CCC(C)(C[NH3+])CC1 685946526 537817042 /nfs/dbraw/zinc/81/70/42/537817042.db2.gz RYZZHRFWCPVFNX-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)C[NH2+]C1CCC(C)(C[NH3+])CC1 685946562 537817063 /nfs/dbraw/zinc/81/70/63/537817063.db2.gz SQCSGZZLFDZMBD-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP C1CCC[NH+](CCC[NH2+]C2CC2)CC1 37478487 537817296 /nfs/dbraw/zinc/81/72/96/537817296.db2.gz MSMABBOUYXNGCP-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 37478471 537817717 /nfs/dbraw/zinc/81/77/17/537817717.db2.gz ZMYSVWCQNIBWDO-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CCC(CC)[NH2+]C[C@@H]1CC[N@H+](CC)C1 37484236 537817755 /nfs/dbraw/zinc/81/77/55/537817755.db2.gz RRVJLTPCTWPKDG-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 37484170 537818128 /nfs/dbraw/zinc/81/81/28/537818128.db2.gz HISKCEKMFDWWPD-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@H](C[NH3+])C1CCCCCC1 685947456 537819543 /nfs/dbraw/zinc/81/95/43/537819543.db2.gz VSQYRSJVPUIVFN-LBPRGKRZSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@@H](C)[NH2+]C1CCC(C)(C[NH3+])CC1 685946732 537819825 /nfs/dbraw/zinc/81/98/25/537819825.db2.gz VMHNXMKKVWWLIP-VOMCLLRMSA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+]C[C@@H](C[NH3+])C1CCCCCC1 685947451 537819893 /nfs/dbraw/zinc/81/98/93/537819893.db2.gz VSQYRSJVPUIVFN-GFCCVEGCSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@H](C)[NH2+]C1CCC(C)(C[NH3+])CC1 685946731 537820027 /nfs/dbraw/zinc/82/00/27/537820027.db2.gz VMHNXMKKVWWLIP-UNXYVOJBSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH+](C)C[C@H](C[NH3+])C1CCCCCC1 685947348 537820385 /nfs/dbraw/zinc/82/03/85/537820385.db2.gz UVNWMHCDAOICGL-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP C[NH+](C)C[C@@H](C[NH3+])C1CCCCCC1 685947346 537820973 /nfs/dbraw/zinc/82/09/73/537820973.db2.gz UVNWMHCDAOICGL-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C 37914186 537822466 /nfs/dbraw/zinc/82/24/66/537822466.db2.gz XMGHAFVLVSXFHX-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[NH2+]C[C@H]([NH3+])C1CCCCCC1 685947881 537822933 /nfs/dbraw/zinc/82/29/33/537822933.db2.gz SRFDULSYNMTQSY-LBPRGKRZSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[NH2+]C[C@@H]([NH3+])C1CCCCCC1 685947880 537823944 /nfs/dbraw/zinc/82/39/44/537823944.db2.gz SRFDULSYNMTQSY-GFCCVEGCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C 37914185 537827053 /nfs/dbraw/zinc/82/70/53/537827053.db2.gz XMGHAFVLVSXFHX-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[NH2+]CCCC[NH+](C)C 45663378 537859154 /nfs/dbraw/zinc/85/91/54/537859154.db2.gz GCCLMCREZFOLBK-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH+](CC)C1(C(C)C)CC[NH2+]CC1 685961139 537868572 /nfs/dbraw/zinc/86/85/72/537868572.db2.gz OOHRKDRANWWQRI-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[NH2+][C@@H]1C[C@H]2CCCC[N@@H+]2C1 725241888 537890915 /nfs/dbraw/zinc/89/09/15/537890915.db2.gz VKSWFQQBMZYAHO-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[NH2+][C@H]1C[C@H]2CCCC[N@@H+]2C1 725241886 537891367 /nfs/dbraw/zinc/89/13/67/537891367.db2.gz VKSWFQQBMZYAHO-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[NH2+][C@H]1C[C@@H]2CCCC[N@@H+]2C1 725241887 537893137 /nfs/dbraw/zinc/89/31/37/537893137.db2.gz VKSWFQQBMZYAHO-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[NH2+][C@@H]1C[C@@H]2CCCC[N@@H+]2C1 725241885 537893335 /nfs/dbraw/zinc/89/33/35/537893335.db2.gz VKSWFQQBMZYAHO-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCCCC2)C1 85014810 537915526 /nfs/dbraw/zinc/91/55/26/537915526.db2.gz LGWUWDDLSHJPST-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CCCC[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 725269581 537928504 /nfs/dbraw/zinc/92/85/04/537928504.db2.gz AMCZNSKVCKGKGK-MOENNCHZSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[N@@H+]1CCCCCC[NH2+]CCC1 725262299 537929386 /nfs/dbraw/zinc/92/93/86/537929386.db2.gz PUKKCLCLLIWCRT-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP CCCC[N@@H+]1CCCCC[NH2+]CCC1 725262302 537929463 /nfs/dbraw/zinc/92/94/63/537929463.db2.gz QLTGTZRYDKXPMS-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP CCCC[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 725269580 537930811 /nfs/dbraw/zinc/93/08/11/537930811.db2.gz AMCZNSKVCKGKGK-CXQJBGSLSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)(C)[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 725271112 537931433 /nfs/dbraw/zinc/93/14/33/537931433.db2.gz XWIKEPAINBONMZ-YZRBJQDESA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)(C)[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 725271110 537933379 /nfs/dbraw/zinc/93/33/79/537933379.db2.gz XWIKEPAINBONMZ-SQLBVSGCSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@H](C)[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 725270493 537933737 /nfs/dbraw/zinc/93/37/37/537933737.db2.gz PAHJOIRAKXYOOO-UZEXVOJHSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@@H](C)[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 725270492 537933824 /nfs/dbraw/zinc/93/38/24/537933824.db2.gz PAHJOIRAKXYOOO-QTAHKJALSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@H](C)[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 725270494 537934175 /nfs/dbraw/zinc/93/41/75/537934175.db2.gz PAHJOIRAKXYOOO-VOBJUBJWSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@@H](C)[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 725270495 537934525 /nfs/dbraw/zinc/93/45/25/537934525.db2.gz PAHJOIRAKXYOOO-ZYGVAYEYSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)[NH2+]CC1(CCCC[NH3+])CCC1 725272698 537936262 /nfs/dbraw/zinc/93/62/62/537936262.db2.gz UBNCUVFZFHHMNJ-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@H](C)C[NH2+]CCC[NH2+]C1CC1 163440589 538082577 /nfs/dbraw/zinc/08/25/77/538082577.db2.gz MYOMNVJPPDOEKG-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@@H](C)C[NH2+]CCC[NH2+]C1CC1 163440481 538083361 /nfs/dbraw/zinc/08/33/61/538083361.db2.gz MYOMNVJPPDOEKG-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C 166340143 538161235 /nfs/dbraw/zinc/16/12/35/538161235.db2.gz JLULKQKZECZFKN-SDDRHHMPSA-N 2 0 198.354 2.103 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@@H]1C 166340363 538162806 /nfs/dbraw/zinc/16/28/06/538162806.db2.gz JLULKQKZECZFKN-SRVKXCTJSA-N 2 0 198.354 2.103 10 0 AEAERP CC[C@H](C)[NH2+]C[C@H]1CCCCN1CC 167501411 538172537 /nfs/dbraw/zinc/17/25/37/538172537.db2.gz FHKPEKRFIGDZDH-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@@H]1CCCCN1CC 167501072 538172751 /nfs/dbraw/zinc/17/27/51/538172751.db2.gz FHKPEKRFIGDZDH-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@H]1CCCCN1CC 167501188 538172925 /nfs/dbraw/zinc/17/29/25/538172925.db2.gz FHKPEKRFIGDZDH-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@H]1CCCCN1CC 167501301 538173753 /nfs/dbraw/zinc/17/37/53/538173753.db2.gz FHKPEKRFIGDZDH-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 223024908 538197351 /nfs/dbraw/zinc/19/73/51/538197351.db2.gz FLXQWEAJMFLAMP-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 223024786 538198066 /nfs/dbraw/zinc/19/80/66/538198066.db2.gz FLXQWEAJMFLAMP-IJLUTSLNSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC)C1 249871230 538256411 /nfs/dbraw/zinc/25/64/11/538256411.db2.gz CQAGQJNTVZOOMZ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC)C1 249871229 538256601 /nfs/dbraw/zinc/25/66/01/538256601.db2.gz CQAGQJNTVZOOMZ-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CC(C)C)[C@@H]1CC[NH2+][C@H](C)C1 252969436 538282569 /nfs/dbraw/zinc/28/25/69/538282569.db2.gz ZCRKHPCZLAXKOD-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](CC(C)C)[C@H]1CC[NH2+][C@H](C)C1 252969434 538285013 /nfs/dbraw/zinc/28/50/13/538285013.db2.gz ZCRKHPCZLAXKOD-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 388827370 538437831 /nfs/dbraw/zinc/43/78/31/538437831.db2.gz TWRSSPSBOBSNNV-NWDGAFQWSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 388827374 538437587 /nfs/dbraw/zinc/43/75/87/538437587.db2.gz TWRSSPSBOBSNNV-RYUDHWBXSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 388826215 538437684 /nfs/dbraw/zinc/43/76/84/538437684.db2.gz TTWVDLSKKONXGT-GRYCIOLGSA-N 2 0 198.354 2.151 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 388826218 538437870 /nfs/dbraw/zinc/43/78/70/538437870.db2.gz TTWVDLSKKONXGT-SDDRHHMPSA-N 2 0 198.354 2.151 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 388826224 538437892 /nfs/dbraw/zinc/43/78/92/538437892.db2.gz TTWVDLSKKONXGT-WOPDTQHZSA-N 2 0 198.354 2.151 10 0 AEAERP CC(C)C[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 388827378 538438030 /nfs/dbraw/zinc/43/80/30/538438030.db2.gz TWRSSPSBOBSNNV-VXGBXAGGSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 388826221 538438033 /nfs/dbraw/zinc/43/80/33/538438033.db2.gz TTWVDLSKKONXGT-SRVKXCTJSA-N 2 0 198.354 2.151 10 0 AEAERP CC(C)C[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 388827361 538437975 /nfs/dbraw/zinc/43/79/75/538437975.db2.gz TWRSSPSBOBSNNV-NEPJUHHUSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 389228760 538439353 /nfs/dbraw/zinc/43/93/53/538439353.db2.gz ADNBXAOOQQAMFN-QJPTWQEYSA-N 2 0 198.354 2.009 10 0 AEAERP C[NH+](C)CCCC[NH2+][C@H]1CCC1(C)C 389253176 538439596 /nfs/dbraw/zinc/43/95/96/538439596.db2.gz FEXIQFGTSWHLLH-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 389228765 538439203 /nfs/dbraw/zinc/43/92/03/538439203.db2.gz ADNBXAOOQQAMFN-SRVKXCTJSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 389228762 538439388 /nfs/dbraw/zinc/43/93/88/538439388.db2.gz ADNBXAOOQQAMFN-SDDRHHMPSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 389228766 538439527 /nfs/dbraw/zinc/43/95/27/538439527.db2.gz ADNBXAOOQQAMFN-TUAOUCFPSA-N 2 0 198.354 2.009 10 0 AEAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC1(C)C 389253175 538440015 /nfs/dbraw/zinc/44/00/15/538440015.db2.gz FEXIQFGTSWHLLH-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC)C[C@@H]1CCCC[NH2+]C1 669378821 538445222 /nfs/dbraw/zinc/44/52/22/538445222.db2.gz OOZCWHLYFAFNTJ-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[N@H+](CC)C[C@H]1CCCC[NH2+]C1 669378822 538445309 /nfs/dbraw/zinc/44/53/09/538445309.db2.gz OOZCWHLYFAFNTJ-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CC(C)[NH+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C 669385053 538447003 /nfs/dbraw/zinc/44/70/03/538447003.db2.gz VMQUWDRQWCYHMI-NEPJUHHUSA-N 2 0 198.354 2.233 10 0 AEAERP CCC[N@H+](CC)[C@@H]1CCC[C@H](C[NH3+])C1 675053191 538448031 /nfs/dbraw/zinc/44/80/31/538448031.db2.gz FWGDPJYJIYLIMD-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC)[C@H]1CCC[C@H](C[NH3+])C1 675053193 538448147 /nfs/dbraw/zinc/44/81/47/538448147.db2.gz FWGDPJYJIYLIMD-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC)[C@H]1CCC[C@@H](C[NH3+])C1 675053181 538448152 /nfs/dbraw/zinc/44/81/52/538448152.db2.gz FWGDPJYJIYLIMD-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC)[C@@H]1CCC[C@@H](C[NH3+])C1 675053196 538448404 /nfs/dbraw/zinc/44/84/04/538448404.db2.gz FWGDPJYJIYLIMD-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH+](C(C)C)[C@@H]1CC[NH2+][C@H](C)C1 675056495 538449432 /nfs/dbraw/zinc/44/94/32/538449432.db2.gz RNRBTTPAZQHSTN-VXGBXAGGSA-N 2 0 198.354 2.246 10 0 AEAERP CC(C)[NH+](C(C)C)[C@@H]1CC[NH2+][C@@H](C)C1 675056492 538449385 /nfs/dbraw/zinc/44/93/85/538449385.db2.gz RNRBTTPAZQHSTN-NWDGAFQWSA-N 2 0 198.354 2.246 10 0 AEAERP CC(C)[NH+](C(C)C)[C@H]1CC[NH2+][C@H](C)C1 675056491 538449308 /nfs/dbraw/zinc/44/93/08/538449308.db2.gz RNRBTTPAZQHSTN-NEPJUHHUSA-N 2 0 198.354 2.246 10 0 AEAERP CC[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C 216273383 541316705 /nfs/dbraw/zinc/31/67/05/541316705.db2.gz XMGHAFVLVSXFHX-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C 216273337 541316929 /nfs/dbraw/zinc/31/69/29/541316929.db2.gz XMGHAFVLVSXFHX-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CCN(CC(C)C)[C@H]1CC[C@@H](C)[NH2+]C1 219954265 541317979 /nfs/dbraw/zinc/31/79/79/541317979.db2.gz FATXMBWRZRMFHK-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CCN(CC(C)C)[C@@H]1CC[C@@H](C)[NH2+]C1 219954198 541318439 /nfs/dbraw/zinc/31/84/39/541318439.db2.gz FATXMBWRZRMFHK-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]CCC[NH2+][C@@H](C)CC(C)C 379373024 541338639 /nfs/dbraw/zinc/33/86/39/541338639.db2.gz WNEFNNUHZOORRS-NSHDSACASA-N 2 0 186.343 2.010 10 0 AEAERP CC[NH2+]CCC[NH2+][C@H](C)CC(C)C 379373023 541338874 /nfs/dbraw/zinc/33/88/74/541338874.db2.gz WNEFNNUHZOORRS-LLVKDONJSA-N 2 0 186.343 2.010 10 0 AEAERP CC[N@@H+]1CC[C@@H]([NH3+])C12CCCCCC2 606271691 541347036 /nfs/dbraw/zinc/34/70/36/541347036.db2.gz KDABVTOCNPHZFS-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCCCC2 606271706 541347106 /nfs/dbraw/zinc/34/71/06/541347106.db2.gz LEJKPFUOQHINHD-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCCCC2 606271680 541347389 /nfs/dbraw/zinc/34/73/89/541347389.db2.gz JHYLWDDOPHMPRN-LLVKDONJSA-N 2 0 196.338 2.131 10 0 AEAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCCCC2 606271705 541347534 /nfs/dbraw/zinc/34/75/34/541347534.db2.gz LEJKPFUOQHINHD-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCCCC2 606271681 541347690 /nfs/dbraw/zinc/34/76/90/541347690.db2.gz JHYLWDDOPHMPRN-NSHDSACASA-N 2 0 196.338 2.131 10 0 AEAERP CC[N@@H+]1CC[C@H]([NH3+])C12CCCCCC2 606271692 541347736 /nfs/dbraw/zinc/34/77/36/541347736.db2.gz KDABVTOCNPHZFS-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CC(C)CCC[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 165543142 757010165 /nfs/dbraw/zinc/01/01/65/757010165.db2.gz LBWWKKXLXAXNNX-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](CC1CC[NH+](C)CC1)C(C)C 201326203 757028823 /nfs/dbraw/zinc/02/88/23/757028823.db2.gz FSSKNLKNKZJUEI-UHFFFAOYSA-N 2 0 198.354 2.059 10 0 AEAERP C[NH+](C)C1CCC([NH2+]C2(C)CC2)CC1 306161504 757058093 /nfs/dbraw/zinc/05/80/93/757058093.db2.gz GCZVHIXSVNIZOB-UHFFFAOYSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H]1CCC[N@@H+]([C@@H](C)CC[NH3+])CC1 70612923 571688280 /nfs/dbraw/zinc/68/82/80/571688280.db2.gz GMVLBMGBYJNYOT-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)C[NH2+]C[C@@H]1CCCCC[NH2+]1 81038202 571971594 /nfs/dbraw/zinc/97/15/94/571971594.db2.gz GRYYXKPVYXGQLN-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[N@H+](C)[C@H]1CC[NH2+]CC1(C)C 300828142 571976741 /nfs/dbraw/zinc/97/67/41/571976741.db2.gz JVHRZGPTJGOVFQ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@H](CC)CC(N)=[NH2+] 252411315 571833447 /nfs/dbraw/zinc/83/34/47/571833447.db2.gz MRVZJMRLEZBRMG-NXEZZACHSA-N 2 0 199.342 2.211 10 0 AEAERP CC[N@H+](CCC[C@H](C)[NH2+]C)CC1CC1 68946803 572003762 /nfs/dbraw/zinc/00/37/62/572003762.db2.gz MPAXDWRBCWAMDO-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](CC(N)=[NH2+])[N@H+](C)C(C)(C)CC 68998859 572019299 /nfs/dbraw/zinc/01/92/99/572019299.db2.gz GFGHEQQVLHMMRM-SECBINFHSA-N 2 0 199.342 2.211 10 0 AEAERP C[C@H](CC[NH3+])CC[NH+]1CCCCCC1 393463032 572020551 /nfs/dbraw/zinc/02/05/51/572020551.db2.gz UXFKOBDFUMRKJV-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CCC(C)(C)[N@H+](C)CC[C@@H]1CCC[NH2+]1 69015557 572021403 /nfs/dbraw/zinc/02/14/03/572021403.db2.gz DTHLFUWAZGYHJH-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCCC[NH2+]1 81038780 571970707 /nfs/dbraw/zinc/97/07/07/571970707.db2.gz BKUGTDOMJVTDPI-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCCC[NH2+]1 81038778 571970817 /nfs/dbraw/zinc/97/08/17/571970817.db2.gz BKUGTDOMJVTDPI-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)CC[N@H+](C[C@@H](C)C[NH3+])C1CC1 109271969 571970831 /nfs/dbraw/zinc/97/08/31/571970831.db2.gz QPKAYDTYHBVHAW-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([NH2+]CC(C)(C)C)C1CC[NH2+]CC1 400573387 757131915 /nfs/dbraw/zinc/13/19/15/757131915.db2.gz OJWWLUUGNHOMOY-SNVBAGLBSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 400580074 757135317 /nfs/dbraw/zinc/13/53/17/757135317.db2.gz QLWLGGMLXCENLR-WDEREUQCSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[C@@H](C)C[NH2+]C[C@@]1(C)CCC[NH2+]1 81091989 571974198 /nfs/dbraw/zinc/97/41/98/571974198.db2.gz UTPZFLICWVKRIQ-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 400580073 757137515 /nfs/dbraw/zinc/13/75/15/757137515.db2.gz QLWLGGMLXCENLR-QWRGUYRKSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 400580071 757139512 /nfs/dbraw/zinc/13/95/12/757139512.db2.gz QLWLGGMLXCENLR-GHMZBOCLSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H]([NH2+]CC(C)(C)C)C1CC[NH2+]CC1 400573386 757140557 /nfs/dbraw/zinc/14/05/57/757140557.db2.gz OJWWLUUGNHOMOY-JTQLQIEISA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 400580072 757141594 /nfs/dbraw/zinc/14/15/94/757141594.db2.gz QLWLGGMLXCENLR-MNOVXSKESA-N 2 0 198.354 2.009 10 0 AEAERP CCC[C@@](C)([NH3+])C[NH2+]CCC1CCC1 229119641 572043678 /nfs/dbraw/zinc/04/36/78/572043678.db2.gz RKHUOUJCXRLDPI-GFCCVEGCSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1CCC[NH2+][C@@H]1C[NH2+]CC(C)(C)C 235549314 571981206 /nfs/dbraw/zinc/98/12/06/571981206.db2.gz HPKZAAWEBYZBIL-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 251838660 572045918 /nfs/dbraw/zinc/04/59/18/572045918.db2.gz LCQVSBGBIUZHPW-WHOHXGKFSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H](C)[N@H+](CC)[C@@H]1CCC[C@@H]1C[NH3+] 37159730 571985725 /nfs/dbraw/zinc/98/57/25/571985725.db2.gz FUEPOFPNXLFPGH-IJLUTSLNSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[N@H+](C)[C@H]1CCC[NH2+]CC1 82666712 572079237 /nfs/dbraw/zinc/07/92/37/572079237.db2.gz OUTXAGKMMFXXRZ-LBPRGKRZSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 404635627 757185851 /nfs/dbraw/zinc/18/58/51/757185851.db2.gz HXQZHCONFAROAJ-DCAQKATOSA-N 2 0 196.338 2.035 10 0 AEAERP CCC(CC)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 404679889 757187705 /nfs/dbraw/zinc/18/77/05/757187705.db2.gz ZZZQEYDZTPAQFO-GHMZBOCLSA-N 2 0 196.338 2.035 10 0 AEAERP CCC(CC)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 404679890 757188300 /nfs/dbraw/zinc/18/83/00/757188300.db2.gz ZZZQEYDZTPAQFO-MNOVXSKESA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 404635630 757189730 /nfs/dbraw/zinc/18/97/30/757189730.db2.gz HXQZHCONFAROAJ-HBNTYKKESA-N 2 0 196.338 2.035 10 0 AEAERP CCC(CC)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 404679892 757191814 /nfs/dbraw/zinc/19/18/14/757191814.db2.gz ZZZQEYDZTPAQFO-WDEREUQCSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 404635628 757194984 /nfs/dbraw/zinc/19/49/84/757194984.db2.gz HXQZHCONFAROAJ-GARJFASQSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 404635622 757195321 /nfs/dbraw/zinc/19/53/21/757195321.db2.gz HXQZHCONFAROAJ-AXFHLTTASA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@@H](CC[NH3+])[N@@H+](CC)[C@H](C)CC 37112425 572096903 /nfs/dbraw/zinc/09/69/03/572096903.db2.gz ZAFSRMBYNOMLGY-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CCC(CC)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 404679891 757195633 /nfs/dbraw/zinc/19/56/33/757195633.db2.gz ZZZQEYDZTPAQFO-QWRGUYRKSA-N 2 0 196.338 2.035 10 0 AEAERP CCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 405290186 757201240 /nfs/dbraw/zinc/20/12/40/757201240.db2.gz XNMMDANIHRJGAQ-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 405290188 757201457 /nfs/dbraw/zinc/20/14/57/757201457.db2.gz XNMMDANIHRJGAQ-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 405290185 757205482 /nfs/dbraw/zinc/20/54/82/757205482.db2.gz XNMMDANIHRJGAQ-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP CC1([NH2+]CC[C@H]2CCC[NH2+]2)CCCC1 82785805 572111212 /nfs/dbraw/zinc/11/12/12/572111212.db2.gz HTXZLWVYRCMMJI-LLVKDONJSA-N 2 0 196.338 2.051 10 0 AEAERP CCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 405290190 757211729 /nfs/dbraw/zinc/21/17/29/757211729.db2.gz XNMMDANIHRJGAQ-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H]([NH3+])C[N@H+](C)CCC(C)(C)C1CC1 405970703 757225691 /nfs/dbraw/zinc/22/56/91/757225691.db2.gz UUEAWDISFDUGOU-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)CC1 82802412 572120870 /nfs/dbraw/zinc/12/08/70/572120870.db2.gz HNRABMIHXUCWLT-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[C@@H](CC)[N@@H+]1CC[C@H](C[NH3+])C1 68988971 572012574 /nfs/dbraw/zinc/01/25/74/572012574.db2.gz WLCYPPGLPMVDHA-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]([NH3+])C[N@H+](C)CCC(C)(C)C1CC1 405970705 757233024 /nfs/dbraw/zinc/23/30/24/757233024.db2.gz UUEAWDISFDUGOU-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)[N@H+](C)CCCCC[NH3+] 68994916 572015000 /nfs/dbraw/zinc/01/50/00/572015000.db2.gz BBYCZBIGMLEHEU-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 68995011 572015009 /nfs/dbraw/zinc/01/50/09/572015009.db2.gz SPUFRVGDMZRXNA-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](CC[NH3+])[N@H+](C)C(C)(C)CC 68994898 572016430 /nfs/dbraw/zinc/01/64/30/572016430.db2.gz SVOGUOSOIRSYIT-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CC[N@H+](CC[C@H](C)[NH3+])C1CCCCC1 35221554 572016511 /nfs/dbraw/zinc/01/65/11/572016511.db2.gz PAIPDPVOYZVARR-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C)C1 37480808 572154221 /nfs/dbraw/zinc/15/42/21/572154221.db2.gz VESCAVFKGXLCEN-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1C 37480787 572154239 /nfs/dbraw/zinc/15/42/39/572154239.db2.gz JKSMJTGYZSLEPD-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]1CCC[N@H+](CCCCC[NH3+])CC1 82488899 572039891 /nfs/dbraw/zinc/03/98/91/572039891.db2.gz SSFNZFBRXRILTQ-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[N@H+](C)CCCC[NH2+]C(C)C 37482948 572156687 /nfs/dbraw/zinc/15/66/87/572156687.db2.gz XLKFQXSRVLIQCP-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CC[C@@H](C)[N@H+](CCC[NH3+])C1CCCC1 36732202 572062416 /nfs/dbraw/zinc/06/24/16/572062416.db2.gz HFNQRPDVNQSVQW-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+][C@H](C)C1CC[NH+](C(C)C)CC1 82646851 572067320 /nfs/dbraw/zinc/06/73/20/572067320.db2.gz FLJTYHPIMBTZOG-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C)C1CC[NH+](C(C)C)CC1 82646850 572067807 /nfs/dbraw/zinc/06/78/07/572067807.db2.gz FLJTYHPIMBTZOG-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C(C)C)C1 82646640 572067853 /nfs/dbraw/zinc/06/78/53/572067853.db2.gz YXAADTUAPXKLDR-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[NH+]1CCC([C@H](C)[NH2+]C)CC1 82646777 572067859 /nfs/dbraw/zinc/06/78/59/572067859.db2.gz PITGQLSKHAMYOR-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC1(C)C 300926391 572069337 /nfs/dbraw/zinc/06/93/37/572069337.db2.gz ZGERKPYZXXDRLF-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](C)[NH+]1CCC([C@@H](C)[NH2+]C)CC1 82646775 572069355 /nfs/dbraw/zinc/06/93/55/572069355.db2.gz PITGQLSKHAMYOR-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H](CC)CC[NH3+] 36790051 572069404 /nfs/dbraw/zinc/06/94/04/572069404.db2.gz PIXNJUIHHZIMNP-QWRGUYRKSA-N 2 0 186.343 2.234 10 0 AEAERP C[C@@H]1C[C@H]1C[N@H+](C)CCCCCC[NH3+] 82651229 572071772 /nfs/dbraw/zinc/07/17/72/572071772.db2.gz HRXCLGNMDVPIOW-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H]1CCCCC[N@@H+]1CCCCC[NH3+] 69944441 572164833 /nfs/dbraw/zinc/16/48/33/572164833.db2.gz SCSKTWOQCRKHAJ-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP CCC[NH+](CCC)[C@H]1CC[NH2+]C[C@@H]1C 70045524 572165341 /nfs/dbraw/zinc/16/53/41/572165341.db2.gz XWVPGEZVYCKTOU-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)C[N@H+](C)CC1CC([NH3+])C1 84984883 572088254 /nfs/dbraw/zinc/08/82/54/572088254.db2.gz OLWCTJHXMVKVCQ-UNXYVOJBSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922445 572173710 /nfs/dbraw/zinc/17/37/10/572173710.db2.gz ZORYVYDBMOWSEZ-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[N@H+](C[C@@H](N)C(C)(C)C)C1CC1 37097136 572088624 /nfs/dbraw/zinc/08/86/24/572088624.db2.gz MBRQVVUFUIDAAY-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[NH2+]CCC1([NH3+])CCCC1 82773356 572108190 /nfs/dbraw/zinc/10/81/90/572108190.db2.gz NTAKJNGXFSFCLU-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP C[NH2+]C1CC[NH+]([C@H](C)CC(C)C)CC1 37264982 572108197 /nfs/dbraw/zinc/10/81/97/572108197.db2.gz ZHUAXAKNAQPIIV-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)[N@H+](C)CCC(C)(C)[NH3+] 82773448 572108233 /nfs/dbraw/zinc/10/82/33/572108233.db2.gz MYACXNMCFBGUNH-UHFFFAOYSA-N 2 0 186.343 2.234 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H](C)CC1 235155496 572156091 /nfs/dbraw/zinc/15/60/91/572156091.db2.gz VQQQPGQVVCVCRM-IJLUTSLNSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@@H](C)[NH2+]CCCCC[NH3+] 69734671 572139995 /nfs/dbraw/zinc/13/99/95/572139995.db2.gz ANCTZNYLNBIQMI-LLVKDONJSA-N 2 0 186.343 2.284 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@H]([NH3+])C(C)(C)C 300374972 572143010 /nfs/dbraw/zinc/14/30/10/572143010.db2.gz CICNDUNSYUKXQG-VWYCJHECSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[NH2+]CCCC[NH+]1CCCCC1 37482908 572156083 /nfs/dbraw/zinc/15/60/83/572156083.db2.gz JRHUQZHNRXWUHS-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)C[N@H+](C)CC1CCC([NH3+])CC1 37482441 572156774 /nfs/dbraw/zinc/15/67/74/572156774.db2.gz HUTKUOZUXYFKKX-UHFFFAOYSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[C@H](C)CC[NH3+] 300392254 572162776 /nfs/dbraw/zinc/16/27/76/572162776.db2.gz WMPWKFXSXIIWOI-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH2+]CCC[N@@H+]1CCCCC[C@@H]1C 69944787 572162844 /nfs/dbraw/zinc/16/28/44/572162844.db2.gz MKNPBMMNDHWWOO-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H]1C[C@H]1[NH2+]CCC[C@H](C)CC[NH3+] 300392253 572162847 /nfs/dbraw/zinc/16/28/47/572162847.db2.gz WMPWKFXSXIIWOI-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)CC[N@@H+]1CCC[C@@](C)(C[NH3+])C1 688700533 572674683 /nfs/dbraw/zinc/67/46/83/572674683.db2.gz AVZBRLLNMZBEOZ-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1CCCCC[C@@H]1C 69945797 572164104 /nfs/dbraw/zinc/16/41/04/572164104.db2.gz WXCZRNPUZABVCL-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]([NH3+])CCC[N@@H+]1CCCCC[C@H]1C 69944716 572164131 /nfs/dbraw/zinc/16/41/31/572164131.db2.gz CTVOKHZDVMHWSB-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCCCC[C@@H]1C 69944765 572164156 /nfs/dbraw/zinc/16/41/56/572164156.db2.gz CXNLDZAVAMLMDP-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)(C)C[NH2+]C[C@H]1CCCC[C@H]1[NH3+] 82922335 572173798 /nfs/dbraw/zinc/17/37/98/572173798.db2.gz CYYIACXRDFJFPT-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)C[N@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 693556335 757390399 /nfs/dbraw/zinc/39/03/99/757390399.db2.gz JIIQGAZZVDVGJD-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([N@H+](C)C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C 693557226 757390729 /nfs/dbraw/zinc/39/07/29/757390729.db2.gz POPRJURZCQLODU-GARJFASQSA-N 2 0 198.354 2.090 10 0 AEAERP CCC(CC)(CC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 693556791 757390767 /nfs/dbraw/zinc/39/07/67/757390767.db2.gz MDXGLIIATNDFTD-PHIMTYICSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C)C[N@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 693556336 757391788 /nfs/dbraw/zinc/39/17/88/757391788.db2.gz JIIQGAZZVDVGJD-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([N@H+](C)C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C 693557228 757392149 /nfs/dbraw/zinc/39/21/49/757392149.db2.gz POPRJURZCQLODU-MXWKQRLJSA-N 2 0 198.354 2.090 10 0 AEAERP CC1([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCCCC1 693546009 757392734 /nfs/dbraw/zinc/39/27/34/757392734.db2.gz MWEBZJPTMVANOQ-PHIMTYICSA-N 2 0 196.338 2.036 10 0 AEAERP CC[NH2+]C[C@@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 87946907 572761273 /nfs/dbraw/zinc/76/12/73/572761273.db2.gz BTGLIVHXXCHCKJ-WOPDTQHZSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@H+](CCCCCC[NH3+])CC1(C)CC1 693559097 757393579 /nfs/dbraw/zinc/39/35/79/757393579.db2.gz SEWMACQTPDWUOJ-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP C[N@H+](CCC(C)(C)C)C[C@H]1C[C@@H]([NH3+])C1 693615102 757396022 /nfs/dbraw/zinc/39/60/22/757396022.db2.gz KTQIAQBZPXUBQR-PHIMTYICSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]([NH3+])C[NH2+]C(CC)(CC)CC 83388605 572207247 /nfs/dbraw/zinc/20/72/47/572207247.db2.gz MLQXKLUAGIRAKN-SNVBAGLBSA-N 2 0 186.343 2.282 10 0 AEAERP CC[C@H]([NH3+])C[NH2+]C(CC)(CC)CC 83388604 572207323 /nfs/dbraw/zinc/20/73/23/572207323.db2.gz MLQXKLUAGIRAKN-JTQLQIEISA-N 2 0 186.343 2.282 10 0 AEAERP CCC(CC)(CC)[NH2+]CC[C@@H](C)[NH3+] 83388619 572208675 /nfs/dbraw/zinc/20/86/75/572208675.db2.gz GENTWZQTLFMVRR-SNVBAGLBSA-N 2 0 186.343 2.282 10 0 AEAERP CC(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)[C@H](C)C1 257629288 572914001 /nfs/dbraw/zinc/91/40/01/572914001.db2.gz HNCZTEVWRRCIMB-GDNZZTSVSA-N 2 0 198.354 2.103 10 0 AEAERP [NH3+][C@@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 86399260 572930891 /nfs/dbraw/zinc/93/08/91/572930891.db2.gz XTNHHHAICNLITF-VXGBXAGGSA-N 2 0 196.338 2.036 10 0 AEAERP CCCCC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 70586272 572237130 /nfs/dbraw/zinc/23/71/30/572237130.db2.gz GJECVHCMYNSINP-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](C[C@H]1CCCC[NH2+]C1)C(C)C 697039785 757424010 /nfs/dbraw/zinc/42/40/10/757424010.db2.gz HGYYIFAHNVFSNA-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](C)C[C@H]1CCCC[NH2+]C1 697044068 757424102 /nfs/dbraw/zinc/42/41/02/757424102.db2.gz ZEDQCNLZAAXCMW-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP C[N@H+](C[C@H]1CCCC[NH2+]C1)C(C)(C)C 697012351 757424323 /nfs/dbraw/zinc/42/43/23/757424323.db2.gz DPUHRMPALYBEHI-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[N@H+](C[C@@H]1CCCC[NH2+]C1)C(C)(C)C 697012348 757425108 /nfs/dbraw/zinc/42/51/08/757425108.db2.gz DPUHRMPALYBEHI-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 697044067 757427313 /nfs/dbraw/zinc/42/73/13/757427313.db2.gz ZEDQCNLZAAXCMW-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CC[N@H+](C[C@@H]1CCCC[NH2+]C1)C(C)C 697039784 757427547 /nfs/dbraw/zinc/42/75/47/757427547.db2.gz HGYYIFAHNVFSNA-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)C[C@H]1CCC(C)(C)[C@H]1[NH3+] 86871060 572333220 /nfs/dbraw/zinc/33/32/20/572333220.db2.gz QMGLUTPBNBUDCI-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](CC[NH2+]CC1(C)CCC1)[NH+](C)C 697829991 757433616 /nfs/dbraw/zinc/43/36/16/757433616.db2.gz RIEHFBVOXNZUBQ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CC[NH2+]CC1(C)CCC1)[NH+](C)C 697829993 757438501 /nfs/dbraw/zinc/43/85/01/757438501.db2.gz RIEHFBVOXNZUBQ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1C[C@H](C)CC[C@H]1C 84046495 572481415 /nfs/dbraw/zinc/48/14/15/572481415.db2.gz KLHZNMVPXODYRQ-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](CC)CC[C@@H]1CCC[C@@H]1[NH3+] 86531307 572950314 /nfs/dbraw/zinc/95/03/14/572950314.db2.gz RSEJISMAXMFDOT-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1C[C@H](C)CC[C@@H]1C 84046486 572483302 /nfs/dbraw/zinc/48/33/02/572483302.db2.gz KLHZNMVPXODYRQ-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CC[C@@H]([NH2+]C)C1 86618464 572965777 /nfs/dbraw/zinc/96/57/77/572965777.db2.gz BZOBAQUPOOTSOA-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H]1C(C)C 84126875 572497245 /nfs/dbraw/zinc/49/72/45/572497245.db2.gz DPMNPZRKZFLNRL-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]CCC[N@H+](C)[C@H](C)C1CCCC1 87472399 572507182 /nfs/dbraw/zinc/50/71/82/572507182.db2.gz UUWYCEPKBQVGFU-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[NH2+][C@H](C)CC(C)(C)[NH2+]C 238283062 572518679 /nfs/dbraw/zinc/51/86/79/572518679.db2.gz QHBOZSJNSYOXJS-VHSXEESVSA-N 2 0 186.343 2.151 10 0 AEAERP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])CC1 235286636 572660565 /nfs/dbraw/zinc/66/05/65/572660565.db2.gz FKLUXFZSUCKETE-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP [NH3+]C[C@H]1C[C@H]([NH2+]C2CCCCCC2)C1 885832955 757555350 /nfs/dbraw/zinc/55/53/50/757555350.db2.gz BOYDIUDKMLWALG-UMSPYCQHSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[N@H+](C)CCCC[C@@H](C)[NH2+]C 45599565 573990078 /nfs/dbraw/zinc/99/00/78/573990078.db2.gz RPKZIEZBLNVLNV-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH2+][C@@H](C)[C@](C)(CC)N(C)CC 308142324 572831000 /nfs/dbraw/zinc/83/10/00/572831000.db2.gz MBVFUBWWTXKXDS-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@@H](C)[N@H+](C)C1CCC([NH2+]C)CC1 85872943 572831042 /nfs/dbraw/zinc/83/10/42/572831042.db2.gz WZVOCSIWIVGXJM-VOMCLLRMSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C[NH3+])CC[NH+]1CCCCCC1 87989171 572902420 /nfs/dbraw/zinc/90/24/20/572902420.db2.gz KDYSROJWFHEMTR-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP C[NH2+]CCCC/C=C1/CCC[N@H+](C)C1 75599541 572879922 /nfs/dbraw/zinc/87/99/22/572879922.db2.gz PQGLCDLZHJLVAP-GHXNOFRVSA-N 2 0 196.338 2.028 10 0 AEAERP CC[C@@H](C[NH3+])CC[N@@H+]1CCCC[C@@H]1C 87989139 572902401 /nfs/dbraw/zinc/90/24/01/572902401.db2.gz ZSCHZDVRVIMDOX-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](C[NH3+])CC[NH2+]CC1(C)CCCC1 87999657 572914087 /nfs/dbraw/zinc/91/40/87/572914087.db2.gz XHEPRGJDDOBXHO-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@@H](C[NH3+])CC[N@H+](CC)CC1CC1 87999681 572914116 /nfs/dbraw/zinc/91/41/16/572914116.db2.gz YFAWMPOJOIHSJU-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)C[NH3+] 86312788 572914117 /nfs/dbraw/zinc/91/41/17/572914117.db2.gz OTWWPIVULPZRCR-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@@H](C[NH3+])CC[N@@H+]1CCCC(C)(C)C1 87999695 572914144 /nfs/dbraw/zinc/91/41/44/572914144.db2.gz INMXSOJAZKLVCF-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C[NH3+])CC[N@@H+]1CCC(C)(C)C1 87999882 572915166 /nfs/dbraw/zinc/91/51/66/572915166.db2.gz UCJGKSFRVNIEPO-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H](C[NH3+])CC[N@@H+]1CCCC(C)(C)C1 87999694 572915176 /nfs/dbraw/zinc/91/51/76/572915176.db2.gz INMXSOJAZKLVCF-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@H]1CC[NH2+][C@H]1C 252605912 572923683 /nfs/dbraw/zinc/92/36/83/572923683.db2.gz QAXUVEIFBMOYLT-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](C(C)C)[C@H](C)CCCC[NH3+] 308193714 572923724 /nfs/dbraw/zinc/92/37/24/572923724.db2.gz LDVAOSDMJRYHNK-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[C@@H](CC)[NH2+]CC(C)(C)[NH2+]C 308205338 572933919 /nfs/dbraw/zinc/93/39/19/572933919.db2.gz SIRNUVNSCUBTRY-SNVBAGLBSA-N 2 0 186.343 2.153 10 0 AEAERP CC(C)CC[N@H+](C)[C@H]1CCC[C@H]([NH3+])C1 86431843 572936554 /nfs/dbraw/zinc/93/65/54/572936554.db2.gz PKTCNAVFXIFKBN-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86432437 572938493 /nfs/dbraw/zinc/93/84/93/572938493.db2.gz KBGPJUOGEHCMEJ-SDDRHHMPSA-N 2 0 198.354 2.233 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@@H]1CC[N@H+](C)CC 86531180 572949944 /nfs/dbraw/zinc/94/99/44/572949944.db2.gz XSPJLTNAGBOLLN-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)CC[C@H]1CCC[C@@H]1[NH2+]C 86530864 572950347 /nfs/dbraw/zinc/95/03/47/572950347.db2.gz RQFRIUTVACFIHB-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC)CC[C@H]1CCC[C@@H]1[NH3+] 86531311 572950355 /nfs/dbraw/zinc/95/03/55/572950355.db2.gz RSEJISMAXMFDOT-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C)CC[C@H]1CCC[C@@H]1[NH2+]C 86531352 572950375 /nfs/dbraw/zinc/95/03/75/572950375.db2.gz ZSOXLFPKEIQNGG-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](C)CC[C@H]1CCC[C@@H]1[NH3+] 86531106 572950397 /nfs/dbraw/zinc/95/03/97/572950397.db2.gz YHJSQQPOASGVFX-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238252981 573013077 /nfs/dbraw/zinc/01/30/77/573013077.db2.gz BWOYOCAHAXWTMR-YFKTTZPYSA-N 2 0 196.338 2.129 10 0 AEAERP CC[C@]1(C[C@H]2CCC[N@@H+]2C)CCC[NH2+]1 258225861 573016253 /nfs/dbraw/zinc/01/62/53/573016253.db2.gz PFBIEVOQRQFLBV-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@@H+]1CC[C@@H]([NH2+]C2(C)CC2)CC1(C)C 1118855499 757720266 /nfs/dbraw/zinc/72/02/66/757720266.db2.gz IISQJXJAJDIXPZ-SNVBAGLBSA-N 2 0 196.338 2.001 10 0 AEAERP C[N@@H+]1CC[C@H]([NH2+]C2(C)CC2)CC1(C)C 1118855491 757723002 /nfs/dbraw/zinc/72/30/02/757723002.db2.gz IISQJXJAJDIXPZ-JTQLQIEISA-N 2 0 196.338 2.001 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1/C=C\CC[NH2+]C 258227804 573023123 /nfs/dbraw/zinc/02/31/23/573023123.db2.gz PFWGNHNOMHUGCQ-LDJOOVGUSA-N 2 0 196.338 2.027 10 0 AEAERP C[NH2+]C[C@H]1CC[C@H]1c1ccc(C)nc1 87954331 573026198 /nfs/dbraw/zinc/02/61/98/573026198.db2.gz PTTZQLVIXURJGS-ZYHUDNBSSA-N 2 0 190.290 2.103 10 0 AEAERP CCC1(C[NH2+]CC(C)(C)CC[NH3+])CC1 308487344 573054887 /nfs/dbraw/zinc/05/48/87/573054887.db2.gz PIFKIINGLRICSG-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CCCC[N@H+](C)CC[C@@H]([NH3+])CCC 128542464 573061338 /nfs/dbraw/zinc/06/13/38/573061338.db2.gz RQGAGPHEGHAJEK-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC(C)=CC[NH+]1CCC([C@H](C)[NH3+])CC1 82474970 573061412 /nfs/dbraw/zinc/06/14/12/573061412.db2.gz CGXBBLQHDJDOKK-NSHDSACASA-N 2 0 196.338 2.012 10 0 AEAERP CC[NH2+][C@H](CCC[NH3+])c1ccccc1 1119630528 757798989 /nfs/dbraw/zinc/79/89/89/757798989.db2.gz GFVVTDXWCQHTAZ-GFCCVEGCSA-N 2 0 192.306 2.076 10 0 AEAERP CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 1119630529 757800581 /nfs/dbraw/zinc/80/05/81/757800581.db2.gz GFVVTDXWCQHTAZ-LBPRGKRZSA-N 2 0 192.306 2.076 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)CC 128556666 573070628 /nfs/dbraw/zinc/07/06/28/573070628.db2.gz HFDWDKYHLNTXMO-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)=CC[NH2+]CCC[NH2+]C(C)(C)C 308489701 573073868 /nfs/dbraw/zinc/07/38/68/573073868.db2.gz BBOHCQQPVZTPAR-UHFFFAOYSA-N 2 0 198.354 2.320 10 0 AEAERP CCCC[NH2+]CC[C@H]1CCCC[N@@H+]1C 49750726 573083852 /nfs/dbraw/zinc/08/38/52/573083852.db2.gz WUNGUTXUIVDNTL-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)[NH2+][C@@H](C)CCCC[NH+](C)C 308253176 573084105 /nfs/dbraw/zinc/08/41/05/573084105.db2.gz IWLGNYCCIPKANS-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH3+])C1)C1CCCC1 88162884 573094001 /nfs/dbraw/zinc/09/40/01/573094001.db2.gz FARAIUMTWNXNHH-MVWJERBFSA-N 2 0 196.338 2.035 10 0 AEAERP CC1CC[NH+](CC(C)(C)[C@@H](C)[NH3+])CC1 85678036 573113681 /nfs/dbraw/zinc/11/36/81/573113681.db2.gz WDESUEPZVGIGAS-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@H+](C1CCCC1)[C@@H]1CCC[NH2+]CC1 82666655 573150638 /nfs/dbraw/zinc/15/06/38/573150638.db2.gz IDLIHEFVJHIZRI-GFCCVEGCSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+]C[C@@H]1CC[N@H+](C(C)(C)C)C1(C)C 259351252 573166541 /nfs/dbraw/zinc/16/65/41/573166541.db2.gz JSHQJMIFNYHJSM-JTQLQIEISA-N 2 0 198.354 2.105 10 0 AEAERP C[NH+](C)[C@H]1CCC[C@H](C(C)(C)C[NH3+])C1 238298553 573170785 /nfs/dbraw/zinc/17/07/85/573170785.db2.gz RMOLQKHIEXCHPT-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@H](C[C@@H](C)C[NH3+])C1CCCCC1 259362060 573186619 /nfs/dbraw/zinc/18/66/19/573186619.db2.gz LAYHKWOJNIGMNC-ZYHUDNBSSA-N 2 0 198.354 2.140 10 0 AEAERP CCC1([NH2+]C[C@@H]([NH3+])CC2CC2)CCC1 308513999 573186683 /nfs/dbraw/zinc/18/66/83/573186683.db2.gz DJOXLNSXRGSQGC-NSHDSACASA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259363236 573187080 /nfs/dbraw/zinc/18/70/80/573187080.db2.gz UPXGDTRLHAHHKR-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC(C)C)[C@H]1CC[C@@H]([NH3+])C1 308514816 573189094 /nfs/dbraw/zinc/18/90/94/573189094.db2.gz UNZNWNSNBKKVQZ-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC(C)(C)[C@@H]([NH2+]C)C1 259363094 573189154 /nfs/dbraw/zinc/18/91/54/573189154.db2.gz UMVGKFUHBGSETG-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259363233 573189348 /nfs/dbraw/zinc/18/93/48/573189348.db2.gz UPXGDTRLHAHHKR-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC(C)(C)[C@@H]([NH2+]C)C1 259363095 573192564 /nfs/dbraw/zinc/19/25/64/573192564.db2.gz UMVGKFUHBGSETG-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC1([NH2+]CC2([NH3+])CCCC2)CCCC1 82785877 573192833 /nfs/dbraw/zinc/19/28/33/573192833.db2.gz XUJRMFOXVCPXIJ-UHFFFAOYSA-N 2 0 196.338 2.180 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]C1(C)CCCC1 82785844 573192959 /nfs/dbraw/zinc/19/29/59/573192959.db2.gz UPMJPVQPYIBIIR-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP C[C@H]([NH3+])C[C@H](C1CCCCC1)[NH+](C)C 259366674 573194092 /nfs/dbraw/zinc/19/40/92/573194092.db2.gz GBVVCNXTBCCSJU-CMPLNLGQSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C1CCCCC1)[NH+](C)C 259366679 573194504 /nfs/dbraw/zinc/19/45/04/573194504.db2.gz GBVVCNXTBCCSJU-JQWIXIFHSA-N 2 0 198.354 2.234 10 0 AEAERP Cc1ccc([C@H]([NH3+])C[C@H](C)[NH3+])cc1C 259370637 573202428 /nfs/dbraw/zinc/20/24/28/573202428.db2.gz MSPJGKPZOJFFGU-CMPLNLGQSA-N 2 0 192.306 2.041 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH+]1CCC(C)(C)CC1 82802256 573202438 /nfs/dbraw/zinc/20/24/38/573202438.db2.gz VZQSJODCPMKCSS-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH+]1CCCCCCC1 82801126 573202486 /nfs/dbraw/zinc/20/24/86/573202486.db2.gz MAMWEENYUIUVRH-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP Cc1ccc([C@@H]([NH3+])C[C@H](C)[NH3+])cc1C 259370638 573202692 /nfs/dbraw/zinc/20/26/92/573202692.db2.gz MSPJGKPZOJFFGU-JQWIXIFHSA-N 2 0 192.306 2.041 10 0 AEAERP Cc1ccc([C@@H]([NH3+])C[C@@H](C)[NH3+])cc1C 259370640 573204979 /nfs/dbraw/zinc/20/49/79/573204979.db2.gz MSPJGKPZOJFFGU-PWSUYJOCSA-N 2 0 192.306 2.041 10 0 AEAERP CCC[N@H+](CC(C)C)[C@H](CC)C(N)=[NH2+] 308519424 573224146 /nfs/dbraw/zinc/22/41/46/573224146.db2.gz WUWOMANZLIZVHV-SNVBAGLBSA-N 2 0 199.342 2.069 10 0 AEAERP CC(C)(C)[NH2+]CCCC[NH+]1CC=CC1 308520470 573227572 /nfs/dbraw/zinc/22/75/72/573227572.db2.gz RRMMTDAHXNIZIQ-UHFFFAOYSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1CC[C@@H](C)[C@@H](C)C1 132157535 573227618 /nfs/dbraw/zinc/22/76/18/573227618.db2.gz ZJBRTDNSXWPWAE-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH+](C)C1CCC(C(C)(C)C[NH3+])CC1 238322348 573229581 /nfs/dbraw/zinc/22/95/81/573229581.db2.gz DNNHJLDQOSJSBO-UHFFFAOYSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)[N@@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 308520732 573229739 /nfs/dbraw/zinc/22/97/39/573229739.db2.gz XRTRNEJRKMILTO-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(CC)C[N@H+](C)[C@H](C)CC[NH3+] 129106126 573229831 /nfs/dbraw/zinc/22/98/31/573229831.db2.gz GNEPCRABBWVULQ-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](C)C1([NH3+])CCC([NH+](C)C)CC1 715263986 573235199 /nfs/dbraw/zinc/23/51/99/573235199.db2.gz MHRYGKUZHHAHHE-UNXYVOJBSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC1([NH3+])CCC([NH+](C)C)CC1 715264090 573238709 /nfs/dbraw/zinc/23/87/09/573238709.db2.gz MSPKQTHVFSXRPZ-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 308529179 573240793 /nfs/dbraw/zinc/24/07/93/573240793.db2.gz BVRIOGOMEFRCHJ-GRYCIOLGSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](C)[NH3+] 308529180 573242229 /nfs/dbraw/zinc/24/22/29/573242229.db2.gz BVRIOGOMEFRCHJ-SDDRHHMPSA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)CC[NH2+]CC[C@@H]1CCCC[NH2+]1 258605521 573243292 /nfs/dbraw/zinc/24/32/92/573243292.db2.gz ANVNVJUWSBMFBI-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)C[NH2+][C@@H]1CC[C@H]([NH+](C)C)C1 129150086 573243427 /nfs/dbraw/zinc/24/34/27/573243427.db2.gz WACXLMBQIPZNRS-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CCCC[NH2+]C1CC(C(C)C)C1 714659934 573249681 /nfs/dbraw/zinc/24/96/81/573249681.db2.gz YFEBUNUGBAURPN-UHFFFAOYSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)([NH3+])CCC[NH2+][C@@H]1CCC1(C)C 308529373 573253821 /nfs/dbraw/zinc/25/38/21/573253821.db2.gz KFAIFDXYVNTXIG-SNVBAGLBSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([N@@H+](C)[C@H](C)CC[NH3+])C(C)(C)C 42739466 573253825 /nfs/dbraw/zinc/25/38/25/573253825.db2.gz NHTJPXSAQNFMGP-ZJUUUORDSA-N 2 0 186.343 2.090 10 0 AEAERP CCCCC[NH2+]C[C@@H](CC)C[NH2+]C 258613049 573255380 /nfs/dbraw/zinc/25/53/80/573255380.db2.gz ISPKPDLMPHRFET-NSHDSACASA-N 2 0 186.343 2.012 10 0 AEAERP C[C@H]1CC[C@@H]1[NH2+]CCC[NH2+]C(C)(C)C 308529444 573255761 /nfs/dbraw/zinc/25/57/61/573255761.db2.gz KIXUFFKVAAJWGF-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP CCCCC[NH2+]C[C@H](CC)C[NH2+]C 258613047 573256953 /nfs/dbraw/zinc/25/69/53/573256953.db2.gz ISPKPDLMPHRFET-LLVKDONJSA-N 2 0 186.343 2.012 10 0 AEAERP C[C@H]([N@H+](C)CCCC(N)=[NH2+])C(C)(C)C 42767654 573256977 /nfs/dbraw/zinc/25/69/77/573256977.db2.gz YTFZXXFXARLWLX-VIFPVBQESA-N 2 0 199.342 2.069 10 0 AEAERP CC[N@H+](CC[C@H]([NH3+])C(C)C)C(C)C 129209655 573257917 /nfs/dbraw/zinc/25/79/17/573257917.db2.gz XHCXTYLEWQLWAW-NSHDSACASA-N 2 0 186.343 2.090 10 0 AEAERP C[C@@H](CC(N)=[NH2+])[N@H+](C)[C@@H](C)C(C)(C)C 42782829 573259948 /nfs/dbraw/zinc/25/99/48/573259948.db2.gz YCILJYAFWOWQGJ-IUCAKERBSA-N 2 0 199.342 2.067 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CC[C@H]([NH3+])C(C)C 129217825 573261192 /nfs/dbraw/zinc/26/11/92/573261192.db2.gz GYCSGODPBWAOKD-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](CC[C@H]([NH3+])C(C)C)C1CC1 129211025 573261293 /nfs/dbraw/zinc/26/12/93/573261293.db2.gz AOLPCAFEBQPIPS-LBPRGKRZSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CC=CC1 308531328 573261418 /nfs/dbraw/zinc/26/14/18/573261418.db2.gz ARPYDFHKNYFNDO-LBPRGKRZSA-N 2 0 196.338 2.025 10 0 AEAERP CCCCC[NH2+]CC(C)(C)CC[NH3+] 258616399 573270972 /nfs/dbraw/zinc/27/09/72/573270972.db2.gz BQAULEHAKMHAQC-UHFFFAOYSA-N 2 0 186.343 2.141 10 0 AEAERP CC[N@H+](CC(C)(C)C[NH3+])[C@H]1CC[C@H]1C 308535213 573273105 /nfs/dbraw/zinc/27/31/05/573273105.db2.gz MAHFGVUNLJZLMI-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP [NH3+][C@@H]1CCC[C@H]1C[NH2+]C1CCCCC1 82922203 573280793 /nfs/dbraw/zinc/28/07/93/573280793.db2.gz UBFZCHBPAXMWGU-CMPLNLGQSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+][C@H]1CCC[C@@H]1C[NH2+]C1CCCCC1 82922202 573281007 /nfs/dbraw/zinc/28/10/07/573281007.db2.gz UBFZCHBPAXMWGU-PWSUYJOCSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)[N@@H+]1CCC(C)(C)[C@H](CC[NH3+])C1 259401555 573281251 /nfs/dbraw/zinc/28/12/51/573281251.db2.gz XSDYVLNOXWIZHE-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP [NH3+][C@H]1CCCC[C@H]1C[NH2+]C1CCCC1 82922268 573281744 /nfs/dbraw/zinc/28/17/44/573281744.db2.gz OERNCUJCRBDSHI-JQWIXIFHSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H](C[NH2+]C)[C@@H]([NH2+]C)C1CCCC1 259065710 573281747 /nfs/dbraw/zinc/28/17/47/573281747.db2.gz BOAYRZRLCCQBFO-ZYHUDNBSSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@@H](C[NH2+]C)[C@@H]([NH2+]C)C1CCCC1 259065702 573281995 /nfs/dbraw/zinc/28/19/95/573281995.db2.gz BOAYRZRLCCQBFO-CMPLNLGQSA-N 2 0 198.354 2.010 10 0 AEAERP [NH3+][C@@H]1CCC[C@@H]1C[NH2+]C1CCCCC1 82922204 573282003 /nfs/dbraw/zinc/28/20/03/573282003.db2.gz UBFZCHBPAXMWGU-ZYHUDNBSSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)[C@@H]([NH3+])CC[NH2+][C@H]1CCC1(C)C 308539695 573282014 /nfs/dbraw/zinc/28/20/14/573282014.db2.gz NKLIAGPMSMJVAW-QWRGUYRKSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]([NH3+])CC[C@H]([NH+](C)C)C(C)(C)C 259402648 573283849 /nfs/dbraw/zinc/28/38/49/573283849.db2.gz HJVSUGYERPOKLY-ZJUUUORDSA-N 2 0 186.343 2.090 10 0 AEAERP CC1([NH2+]C[C@H]2CCC[C@@H]2[NH3+])CCCC1 82922609 573284407 /nfs/dbraw/zinc/28/44/07/573284407.db2.gz IGIZGDGWQPYHBO-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CC1([NH2+]C[C@@H]2CCC[C@@H]2[NH3+])CCCC1 82922608 573284683 /nfs/dbraw/zinc/28/46/83/573284683.db2.gz IGIZGDGWQPYHBO-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)CCCC[NH2+]C[C@@H]1CC[NH2+]C1 147585446 573285548 /nfs/dbraw/zinc/28/55/48/573285548.db2.gz NZESLUGVSGBJSU-LBPRGKRZSA-N 2 0 198.354 2.012 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@](C)([NH3+])C1CC1 50889972 573288005 /nfs/dbraw/zinc/28/80/05/573288005.db2.gz SYPPXSPCSKNYBA-CMPLNLGQSA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@H](C)C1 129451551 573290952 /nfs/dbraw/zinc/29/09/52/573290952.db2.gz NSWRBIUPQZNMPJ-SRVKXCTJSA-N 2 0 198.354 2.010 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H]([NH3+])CCC 50890047 573293917 /nfs/dbraw/zinc/29/39/17/573293917.db2.gz DEQWBBAXQXKDFT-WDEREUQCSA-N 2 0 186.343 2.282 10 0 AEAERP CC[C@@H](C)[C@@H]1C[N@@H+](C(C)C)CCC[NH2+]1 82941173 573306301 /nfs/dbraw/zinc/30/63/01/573306301.db2.gz HSYIJBRJSNJJHM-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])CCC1(C)C 259409984 573305834 /nfs/dbraw/zinc/30/58/34/573305834.db2.gz MTWBLTGSSOILOY-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)CCC1CC1 393661147 573306093 /nfs/dbraw/zinc/30/60/93/573306093.db2.gz WOFRAIKWWCMDNM-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[NH2+]Cc1cccc(C[NH3+])c1 258624512 573308185 /nfs/dbraw/zinc/30/81/85/573308185.db2.gz CKGIBEBKDKGMEL-UHFFFAOYSA-N 2 0 192.306 2.035 10 0 AEAERP CCCC[N@@H+]1CC(C)(C)NCC[C@@H]1C 82942948 573308187 /nfs/dbraw/zinc/30/81/87/573308187.db2.gz CDRHEOFZCIDSQV-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@@H](C)C[C@H](C)[N@H+](C)CCC1CC1 393661146 573308380 /nfs/dbraw/zinc/30/83/80/573308380.db2.gz WOFRAIKWWCMDNM-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CCCC1=CC[N@@H+](C(C)C)CC1 258255466 573310188 /nfs/dbraw/zinc/31/01/88/573310188.db2.gz YCWRTKLGSQXHFA-UHFFFAOYSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@H]([NH3+])CCC[C@H](C)C[NH+]1CC=CC1 308546703 573311733 /nfs/dbraw/zinc/31/17/33/573311733.db2.gz PNXVJWNVQPKNCN-RYUDHWBXSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 82941648 573314386 /nfs/dbraw/zinc/31/43/86/573314386.db2.gz BGVVVBBYKIZJHP-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CC1(C)C[C@@H]([NH+]2CCCCC2)CC[NH2+]1 106873909 573323896 /nfs/dbraw/zinc/32/38/96/573323896.db2.gz FVTBBSPBXVZNMB-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[NH2+]CCC[N@H+](C)CCC1CC1 308550261 573327993 /nfs/dbraw/zinc/32/79/93/573327993.db2.gz XFFGZYKTDCSLKI-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@]1(C[C@H]2CCCC[NH2+]2)CCCC[NH2+]1 258002895 573331163 /nfs/dbraw/zinc/33/11/63/573331163.db2.gz AMRQYQUYWCAQFK-NEPJUHHUSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@H]1CCCCC[C@H]1[NH2+]C[C@H](C)C[NH3+] 308560717 573333396 /nfs/dbraw/zinc/33/33/96/573333396.db2.gz FADSHUCSQTUYOT-GRYCIOLGSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](C[NH3+])C[NH2+][C@H]1CCCCC[C@H]1C 308560719 573337457 /nfs/dbraw/zinc/33/74/57/573337457.db2.gz FADSHUCSQTUYOT-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]1 308559703 573337647 /nfs/dbraw/zinc/33/76/47/573337647.db2.gz WMXODLABPYWSRI-NWDGAFQWSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](CC[NH3+])[NH2+]C1CCCCCC1 129577829 573343569 /nfs/dbraw/zinc/34/35/69/573343569.db2.gz PXEGIHYTRKRKMP-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC(C)[N@@H+]1CC=C(CC[C@H](C)[NH3+])CC1 258288508 573343675 /nfs/dbraw/zinc/34/36/75/573343675.db2.gz ZZHRTLHIGAELLZ-NSHDSACASA-N 2 0 196.338 2.154 10 0 AEAERP CC[C@H]([NH3+])CC[NH2+][C@H]1CCC(C)(C)C1 129547266 573344662 /nfs/dbraw/zinc/34/46/62/573344662.db2.gz LMJPEFKIRLELMD-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[N@@H+]1CC=C(CC[C@@H](C)[NH3+])CC1 258288505 573344986 /nfs/dbraw/zinc/34/49/86/573344986.db2.gz ZZHRTLHIGAELLZ-LLVKDONJSA-N 2 0 196.338 2.154 10 0 AEAERP CC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)(C)C 129599065 573345910 /nfs/dbraw/zinc/34/59/10/573345910.db2.gz DWRZRJMZTKVHMJ-NXEZZACHSA-N 2 0 186.343 2.138 10 0 AEAERP CC[C@H]1CCCCC[N@@H+]1C/C=C\C[NH3+] 308358350 573346271 /nfs/dbraw/zinc/34/62/71/573346271.db2.gz ANHWZCFHRXUEGW-HWPRWLFBSA-N 2 0 196.338 2.156 10 0 AEAERP CC[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)(C)C 129599275 573350640 /nfs/dbraw/zinc/35/06/40/573350640.db2.gz DWRZRJMZTKVHMJ-VHSXEESVSA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)(C)[C@H]([NH3+])CC[NH2+]C1CCCC1 129600363 573350675 /nfs/dbraw/zinc/35/06/75/573350675.db2.gz OMNHBMDDOFOGNT-LLVKDONJSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H](C[NH3+])[C@H](C)[N@@H+]1CCCC(C)(C)C1 86312690 573359309 /nfs/dbraw/zinc/35/93/09/573359309.db2.gz SDEPJWISXMEQDK-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@H]1CCCC1(C)C 393663088 573364147 /nfs/dbraw/zinc/36/41/47/573364147.db2.gz YUJYVDYOOHMGKS-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)(C)[C@H]([NH3+])CC[NH2+]CCC1CC1 129624663 573373113 /nfs/dbraw/zinc/37/31/13/573373113.db2.gz KFZCOKMFZVXTBW-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)[NH2+]CC[NH2+]C[C@H](C)C1CC1 133213679 573385335 /nfs/dbraw/zinc/38/53/35/573385335.db2.gz TWAWLIWBSNFLIX-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH2+]C[C@@H](C)C1CC1 133201933 573385702 /nfs/dbraw/zinc/38/57/02/573385702.db2.gz RSQMTKOWOKEAIW-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+][C@@H](C)c1cnc(CC(C)C)[nH]1 308566707 573385718 /nfs/dbraw/zinc/38/57/18/573385718.db2.gz YSAOEEIYXOXTCV-VIFPVBQESA-N 2 0 195.310 2.279 10 0 AEAERP CCC[C@](C)([NH3+])C[NH2+]C[C@H](C)C1CC1 133254301 573393932 /nfs/dbraw/zinc/39/39/32/573393932.db2.gz OEXPSPVCCLXANM-JQWIXIFHSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)([NH3+])C[NH2+]CCC1=CCCCC1 393664374 573395390 /nfs/dbraw/zinc/39/53/90/573395390.db2.gz DVBLAHQGGCPXCL-UHFFFAOYSA-N 2 0 196.338 2.204 10 0 AEAERP C[C@H]1C[N@@H+](C2(C)CCCC2)CCCN1 83093867 573396237 /nfs/dbraw/zinc/39/62/37/573396237.db2.gz GHAGMSXVFSXSAF-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H]1C[N@@H+](C2CCC2)CCC[NH2+]1 83106089 573401340 /nfs/dbraw/zinc/40/13/40/573401340.db2.gz CPUYYSIWPQSECF-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 86400776 573403470 /nfs/dbraw/zinc/40/34/70/573403470.db2.gz FARAIUMTWNXNHH-ADEWGFFLSA-N 2 0 196.338 2.035 10 0 AEAERP C[NH2+]CCC[C@H]([NH3+])c1sccc1C 259096375 573403623 /nfs/dbraw/zinc/40/36/23/573403623.db2.gz ASLGTJOFPYQZKM-VIFPVBQESA-N 2 0 198.335 2.056 10 0 AEAERP CCCCCC[N@@H+]1CC[C@H]([NH3+])C1(C)C 308576707 573404454 /nfs/dbraw/zinc/40/44/54/573404454.db2.gz NCAYUTWXAWYINY-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCCCCC[N@@H+]1CC[C@@H]([NH3+])C1(C)C 308576705 573408086 /nfs/dbraw/zinc/40/80/86/573408086.db2.gz NCAYUTWXAWYINY-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](C1CCCC1)[C@@H]1CC[C@H]([NH3+])C1 86410275 573414638 /nfs/dbraw/zinc/41/46/38/573414638.db2.gz RKDFUXQNCYERDA-CMPLNLGQSA-N 2 0 196.338 2.131 10 0 AEAERP C[NH2+][C@H](c1cccc(C[NH3+])c1)C(C)C 259442224 573414673 /nfs/dbraw/zinc/41/46/73/573414673.db2.gz OOTRIZDHEFIMCI-LBPRGKRZSA-N 2 0 192.306 2.062 10 0 AEAERP C[NH+](C)[C@H](C(C)(C)C)C1(C[NH3+])CCC1 259443019 573416326 /nfs/dbraw/zinc/41/63/26/573416326.db2.gz IWXYOFGSGUBNCD-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@]1(CC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 258338838 573418945 /nfs/dbraw/zinc/41/89/45/573418945.db2.gz XQKCDYLEMFRAPG-RYUDHWBXSA-N 2 0 196.338 2.051 10 0 AEAERP [NH3+][C@@H]1CC[C@H]([NH+]2CCCCCCC2)C1 86409992 573418989 /nfs/dbraw/zinc/41/89/89/573418989.db2.gz BNHCBVSBKNTSLR-NEPJUHHUSA-N 2 0 196.338 2.132 10 0 AEAERP C[C@H]1CCC[C@@H](C)[N@@H+]1[C@@H]1CC[C@H]([NH3+])C1 86409829 573419021 /nfs/dbraw/zinc/41/90/21/573419021.db2.gz BVZYDDSEVHQDSQ-WHOHXGKFSA-N 2 0 196.338 2.129 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@H]1CCC[C@H]([NH3+])C1 86432596 573423309 /nfs/dbraw/zinc/42/33/09/573423309.db2.gz NEYJRQSPSQYBQT-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[N@@H+]1CC[C@H](C[NH3+])CC1(C)C 259448627 573436212 /nfs/dbraw/zinc/43/62/12/573436212.db2.gz OZRZUSIKCPZCAQ-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCCC1CC[NH+](C[C@H](C)C[NH3+])CC1 50893182 573445945 /nfs/dbraw/zinc/44/59/45/573445945.db2.gz ZJUNCIIAUXJKJI-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H]1CCC[N@H+](CC[C@@H](C)[NH3+])CC1 70613169 571688798 /nfs/dbraw/zinc/68/87/98/571688798.db2.gz QLFIXIYQGCQIOK-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](CC[NH3+])CCC[N@H+](C)CC1CC1 70610806 571688774 /nfs/dbraw/zinc/68/87/74/571688774.db2.gz RTJBYJJUQHQMIJ-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H]([NH3+])CCC[N@@H+]1[C@@H](C)CCC[C@H]1C 134172478 571716875 /nfs/dbraw/zinc/71/68/75/571716875.db2.gz GTTYLEUYNRVCGA-SDDRHHMPSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@@H](CC[NH3+])[NH2+]CCCC(C)(C)C 300806039 571943322 /nfs/dbraw/zinc/94/33/22/571943322.db2.gz FEYFMDZYVZWYFB-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP C[C@H]1C[C@@H](C[NH3+])CC[N@@H+]1CC(C)(C)C 713143071 571942859 /nfs/dbraw/zinc/94/28/59/571942859.db2.gz UEQNMKSKIVVPNS-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CC[NH3+] 308591894 573459511 /nfs/dbraw/zinc/45/95/11/573459511.db2.gz PKVVGZPFWVTADT-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@]([NH3+])(C(C)C)[C@@H]1CCCCC[NH2+]1 687688555 571961589 /nfs/dbraw/zinc/96/15/89/571961589.db2.gz XBVMRHFEIGXZQK-NWDGAFQWSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@H](C)[NH2+]CC[C@H]([NH3+])C1CC1 130084678 573465170 /nfs/dbraw/zinc/46/51/70/573465170.db2.gz PWELLFLATXNVRH-JQWIXIFHSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)CC[N@H+](C[C@H](C)C[NH3+])C1CC1 109271972 571972678 /nfs/dbraw/zinc/97/26/78/571972678.db2.gz QPKAYDTYHBVHAW-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](CC[NH3+])CC[N@H+](C)C1CCCC1 393449989 572000313 /nfs/dbraw/zinc/00/03/13/572000313.db2.gz KZULVTKSEFCLLM-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+]CCC[N@@H+]1CCCC[C@H]1CC 33943696 572000992 /nfs/dbraw/zinc/00/09/92/572000992.db2.gz UNIVJAJCEVKJAS-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[N@H+](CC1CC1)[C@@H](C)CCC[NH2+]C 68948600 572015376 /nfs/dbraw/zinc/01/53/76/572015376.db2.gz KYCXJZPLYHNWNE-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC(C)(C)[N@H+](C)CC(C)(C)C[NH3+] 69011486 572015326 /nfs/dbraw/zinc/01/53/26/572015326.db2.gz YNUYNJPJLBXVAN-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)[N@H+](C)CC[C@H]1CCCC[C@H]1[NH3+] 308597112 573485103 /nfs/dbraw/zinc/48/51/03/573485103.db2.gz ZIKHGFBIPISQOA-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](CC1CCC1)[C@@H](C)[C@H](C)C[NH3+] 300239113 572018439 /nfs/dbraw/zinc/01/84/39/572018439.db2.gz ZFORPXPGBDDSGQ-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@H+](C)CC[C@H]1CCCC[C@@H]1[NH3+] 308597109 573485164 /nfs/dbraw/zinc/48/51/64/573485164.db2.gz ZIKHGFBIPISQOA-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(C)(C)[N@H+](C)CC[C@H]1CCC[NH2+]1 69015559 572022762 /nfs/dbraw/zinc/02/27/62/572022762.db2.gz DTHLFUWAZGYHJH-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 83417998 573490645 /nfs/dbraw/zinc/49/06/45/573490645.db2.gz QIDICFLATUOPHB-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP [NH3+][C@H](C1CCCCC1)[C@@H]1CCCC[NH2+]1 259474321 573492325 /nfs/dbraw/zinc/49/23/25/573492325.db2.gz RYNBGUUWWOOGQF-NWDGAFQWSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+]Cc1ccccc1Nc1cc[nH+]cc1 82592397 572055646 /nfs/dbraw/zinc/05/56/46/572055646.db2.gz GIYWMHLTORXZPX-UHFFFAOYSA-N 2 0 199.257 2.284 10 0 AEAERP CCCCC[N@@H+]1CCC[C@H]1CCC[NH3+] 82596600 572058494 /nfs/dbraw/zinc/05/84/94/572058494.db2.gz NAVUUMGYQYCRIJ-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP CCC[NH+](CCC)[C@H](CC)CC(N)=[NH2+] 36678024 572058513 /nfs/dbraw/zinc/05/85/13/572058513.db2.gz DVKBUTCCSMRCQY-SNVBAGLBSA-N 2 0 199.342 2.213 10 0 AEAERP CCC[NH+](CCC)[C@H](CC)CC[NH3+] 36677465 572058543 /nfs/dbraw/zinc/05/85/43/572058543.db2.gz YUTVCROFMVSKHM-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCC[N@H+](C[C@H]1CCC[NH2+]C1)C(C)C 37096358 572089649 /nfs/dbraw/zinc/08/96/49/572089649.db2.gz ARAIYHRGKKZYCU-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP [NH3+][C@H](C1CCCCC1)[C@H]1CCCC[NH2+]1 259474323 573493579 /nfs/dbraw/zinc/49/35/79/573493579.db2.gz RYNBGUUWWOOGQF-VXGBXAGGSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666715 572078401 /nfs/dbraw/zinc/07/84/01/572078401.db2.gz UPBMZAZKMCGPFC-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014675 572092320 /nfs/dbraw/zinc/09/23/20/572092320.db2.gz QJXMPTSJDVTCGK-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H](CC(N)=[NH2+])[N@@H+](CC)[C@H](C)CC 37113317 572096925 /nfs/dbraw/zinc/09/69/25/572096925.db2.gz FAGXOPCAESEMQR-ZJUUUORDSA-N 2 0 199.342 2.211 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]C1(C)CCCC1 82785845 572111251 /nfs/dbraw/zinc/11/12/51/572111251.db2.gz UPMJPVQPYIBIIR-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP CCCC[N@H+](CC)CCC(C)(C)[NH3+] 82777059 572111253 /nfs/dbraw/zinc/11/12/53/572111253.db2.gz HIJSVJCHCOLDSC-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CC[NH2+]C(C)(C)C[NH2+]C1(C)CCCC1 82785841 572111261 /nfs/dbraw/zinc/11/12/61/572111261.db2.gz DXUIZQHQGIANAK-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)[NH2+]CCC[NH2+]C1(C)CCCC1 82785803 572111563 /nfs/dbraw/zinc/11/15/63/572111563.db2.gz YBDTXVXFDWEBNC-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@H](C)C[NH2+][C@H](C)CC[NH3+] 300940293 572111617 /nfs/dbraw/zinc/11/16/17/572111617.db2.gz NRMJIQHFBDTQSH-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H](C)[C@@H]([NH3+])C[NH2+]C1(C)CCCC1 82785852 572111706 /nfs/dbraw/zinc/11/17/06/572111706.db2.gz FKQKMYHPCYKJRC-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+]C[C@@H](C)C[NH2+]C1(C)CCCC1 82785885 572111729 /nfs/dbraw/zinc/11/17/29/572111729.db2.gz WYLJJSREJNPKRX-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@@H]([NH3+])C[NH2+]C1(C)CCCC1 82785899 572111823 /nfs/dbraw/zinc/11/18/23/572111823.db2.gz SZRNHMYYHYLEKB-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@H](C)C[NH2+]CCCC(C)(C)[NH3+] 69634916 572126125 /nfs/dbraw/zinc/12/61/25/572126125.db2.gz YPAIIJJTIPNECS-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP [NH3+]C1(CC[C@H]2CCCC[NH2+]2)CCCC1 258041766 573495175 /nfs/dbraw/zinc/49/51/75/573495175.db2.gz OMMPWYQXNAABAR-LLVKDONJSA-N 2 0 196.338 2.180 10 0 AEAERP CCC(CC)(CC)[N@@H+]1CC[C@@H](C[NH3+])C1 83388193 572208206 /nfs/dbraw/zinc/20/82/06/572208206.db2.gz FWIBDYAZEAAHDV-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C[NH3+])C[N@@H+]1[C@@H](C)CCC[C@H]1C 83606597 572343373 /nfs/dbraw/zinc/34/33/73/572343373.db2.gz ACXCCXLNMJTRTL-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1C/C=C\C[NH2+]C 258049122 573504856 /nfs/dbraw/zinc/50/48/56/573504856.db2.gz CZUMTLKYOYKYSW-TXNVCOODSA-N 2 0 196.338 2.027 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@H+](CC)C(C)C 83606729 572344424 /nfs/dbraw/zinc/34/44/24/572344424.db2.gz DGNNZIYOVRCVFT-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@@H+]1CCCC[C@@H]1C 83606297 572346772 /nfs/dbraw/zinc/34/67/72/572346772.db2.gz WJXNWLPEENLTFU-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1CCCC[C@@H]1CC 83606745 572346818 /nfs/dbraw/zinc/34/68/18/572346818.db2.gz QUEQXCCOOYCAHO-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](CC)[C@H](C)CC 83606847 572346832 /nfs/dbraw/zinc/34/68/32/572346832.db2.gz NNQQYUTUAQBMFM-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP CCC(CC)[NH2+][C@H]1CCCC[C@H]1[NH3+] 87156850 572379698 /nfs/dbraw/zinc/37/96/98/572379698.db2.gz NAVRFLSNULBIIN-MNOVXSKESA-N 2 0 184.327 2.035 10 0 AEAERP C[NH2+][C@@H](C1CCCCC1)[C@@H](C)CC[NH3+] 259110992 573506471 /nfs/dbraw/zinc/50/64/71/573506471.db2.gz AVMRJKHWARVCST-CMPLNLGQSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1CCC[N@H+](CCCCC[NH3+])[C@@H]1C 50563650 573511989 /nfs/dbraw/zinc/51/19/89/573511989.db2.gz UOXYBPDHNJPATI-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)CCC[NH2+]CC1CCC1 83838292 572437303 /nfs/dbraw/zinc/43/73/03/572437303.db2.gz JUBWPYCOXLNJTI-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@@H]1CC[C@H]([NH3+])[C@H](CCC[NH+](C)C)C1 74236750 572438078 /nfs/dbraw/zinc/43/80/78/572438078.db2.gz RZOXJJLKRKLKBR-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]1[C@@H](C[NH3+])CC[N@@H+]1CC(C)(C)C 713248713 572438113 /nfs/dbraw/zinc/43/81/13/572438113.db2.gz AEFBEKHZAAZFDK-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H]1CCC[N@H+]1CCC[C@@H](C)[NH3+] 84125596 572505506 /nfs/dbraw/zinc/50/55/06/572505506.db2.gz UKXZMORVZKCSOO-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1CCC[C@H]1C[C@@H](C)[NH3+] 308602009 573512376 /nfs/dbraw/zinc/51/23/76/573512376.db2.gz VDMPLWIFMQYYCE-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC1([NH2+]C[C@H]2CCC[NH2+]2)CCCCC1 45047231 572504714 /nfs/dbraw/zinc/50/47/14/572504714.db2.gz FPGPJUUMQSQXGP-LLVKDONJSA-N 2 0 196.338 2.051 10 0 AEAERP CC1([NH2+]C[C@@H]2CCC[NH2+]2)CCCCC1 45047230 572505466 /nfs/dbraw/zinc/50/54/66/572505466.db2.gz FPGPJUUMQSQXGP-NSHDSACASA-N 2 0 196.338 2.051 10 0 AEAERP CCCCC[N@@H+]1CCC[C@@H]1C[C@H](C)[NH3+] 308602013 573513315 /nfs/dbraw/zinc/51/33/15/573513315.db2.gz VDMPLWIFMQYYCE-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]CC1(C[NH+](C)C)CCCCCC1 84329987 572535360 /nfs/dbraw/zinc/53/53/60/572535360.db2.gz FTORHTISDTWLJV-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP C[N@H+]([C@H]1CC[NH2+]C(C)(C)C1)C(C)(C)C 258730591 573513909 /nfs/dbraw/zinc/51/39/09/573513909.db2.gz HDJBNAGPQPXMSN-JTQLQIEISA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 63188276 572537220 /nfs/dbraw/zinc/53/72/20/572537220.db2.gz OJCSHBGJQZJKJD-RYUDHWBXSA-N 2 0 196.338 2.001 10 0 AEAERP CCCCC[C@@H](C)[NH2+]C1CC([NH3+])C1 87651361 572635459 /nfs/dbraw/zinc/63/54/59/572635459.db2.gz LKZLFHMLIHMFMB-KPPDAEKUSA-N 2 0 184.327 2.035 10 0 AEAERP CC(C)CC[NH2+]CC[C@@H]1CCC[NH2+]C1 258743862 573523545 /nfs/dbraw/zinc/52/35/45/573523545.db2.gz NNHJLRJQEPKTKL-LBPRGKRZSA-N 2 0 198.354 2.012 10 0 AEAERP CCC(CC)C[NH2+]CC[C@@H]1CCC[NH2+]1 130423268 573530553 /nfs/dbraw/zinc/53/05/53/573530553.db2.gz LQSFNQARYJFQNI-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CCC(CC)C[NH2+]C[C@@]1(C)CC[NH2+]C1 130423926 573535381 /nfs/dbraw/zinc/53/53/81/573535381.db2.gz GLPKBPVWAJYPRL-LBPRGKRZSA-N 2 0 198.354 2.012 10 0 AEAERP C[N@@H+]1CCC[C@H]1CC1([NH3+])CCCCC1 258054074 573536178 /nfs/dbraw/zinc/53/61/78/573536178.db2.gz PFOOWYQXAXLISA-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CCC(CC)C[NH2+]CC[C@H]([NH3+])C1CC1 130427591 573536314 /nfs/dbraw/zinc/53/63/14/573536314.db2.gz YDIARBQQFVJKJZ-LBPRGKRZSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)([NH3+])CCCNc1ccccn1 258760623 573536542 /nfs/dbraw/zinc/53/65/42/573536542.db2.gz ABJHJIJUCWNAJV-UHFFFAOYSA-N 2 0 193.294 2.011 10 0 AEAERP CCC(C)(C)C[NH2+]C(C)(C)CC[NH3+] 258766410 573541666 /nfs/dbraw/zinc/54/16/66/573541666.db2.gz HKXUHRVLTMKTJN-UHFFFAOYSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H](C)[N@@H+]1C[C@H](CC[NH3+])CC1(C)C 259499972 573545558 /nfs/dbraw/zinc/54/55/58/573545558.db2.gz SXVKJQMRDYNOTL-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]C[C@H](CCC[NH2+]C1CC1)C(C)C 85493140 572751692 /nfs/dbraw/zinc/75/16/92/572751692.db2.gz LPCBMWMOCLOFRT-NSHDSACASA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+]C[C@H](C)[C@H](C)[N@H+](CC)C1CC1 87947297 572760339 /nfs/dbraw/zinc/76/03/39/572760339.db2.gz RUDKPXWDJVCYOX-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCCCC1 87947106 572760364 /nfs/dbraw/zinc/76/03/64/572760364.db2.gz BYYBGQFVEWYHQH-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 49664373 572798174 /nfs/dbraw/zinc/79/81/74/572798174.db2.gz PTNUTTVQPNVHQA-UTUOFQBUSA-N 2 0 198.354 2.247 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86095913 572867449 /nfs/dbraw/zinc/86/74/49/572867449.db2.gz SFXRRNHTLXLYSL-WDEREUQCSA-N 2 0 196.338 2.010 10 0 AEAERP CCCCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272589 572903797 /nfs/dbraw/zinc/90/37/97/572903797.db2.gz OTJDFMTUXCWZQA-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272590 572903875 /nfs/dbraw/zinc/90/38/75/572903875.db2.gz OTJDFMTUXCWZQA-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311740 572913509 /nfs/dbraw/zinc/91/35/09/572913509.db2.gz SQEKPQPFWFZURL-UWVGGRQHSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[N@H+](C(C)C)[C@H](C)[C@@H](C)C[NH3+] 86311579 572913518 /nfs/dbraw/zinc/91/35/18/572913518.db2.gz ZPVRZINPUIPZND-WDEREUQCSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@H](C[NH3+])CC[N@H+](C)CC1CCC1 87999529 572913566 /nfs/dbraw/zinc/91/35/66/572913566.db2.gz AVNTXHMFRIFPRU-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@@H+](C1CC1)[C@H](C)[C@@H](C)C[NH3+] 86312065 572913571 /nfs/dbraw/zinc/91/35/71/572913571.db2.gz RCONKTPTXHZMFI-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@@H]1CC[NH2+][C@H]1C 252605913 572925530 /nfs/dbraw/zinc/92/55/30/572925530.db2.gz QAXUVEIFBMOYLT-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@@H]1CCC[N@@H+]1[C@@H](C)CC 86386648 572925936 /nfs/dbraw/zinc/92/59/36/572925936.db2.gz FFYPHTDCHCLCAG-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[N@H+](C)[C@@H](C)CCCC[NH3+] 308205370 572933368 /nfs/dbraw/zinc/93/33/68/572933368.db2.gz SKRVLIBZIATIOY-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+]CC1CCCCC1 258801680 573585633 /nfs/dbraw/zinc/58/56/33/573585633.db2.gz DKDACNXDGKGRJN-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@@H]([N@H+](C)C2CC2)C1 86618699 572966669 /nfs/dbraw/zinc/96/66/69/572966669.db2.gz RAKXDTCYPDQYTF-ZYHUDNBSSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@H]([NH+](CC)CC)C1 86618331 572966699 /nfs/dbraw/zinc/96/66/99/572966699.db2.gz DGKRTAMXSWYQGK-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H]1CC[C@H]([N@H+](CC)C2CC2)C1 86618685 572966710 /nfs/dbraw/zinc/96/67/10/572966710.db2.gz KKRJSCBGWZCUBL-PWSUYJOCSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@H]1CC[C@@H]([N@H+](CC)C2CC2)C1 86618688 572966716 /nfs/dbraw/zinc/96/67/16/572966716.db2.gz KKRJSCBGWZCUBL-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[NH2+][C@H]1CC[C@@H]([N@H+](C)C(C)C)C1 86618437 572966870 /nfs/dbraw/zinc/96/68/70/572966870.db2.gz KFBIYEHXRYAMPU-NWDGAFQWSA-N 2 0 198.354 2.247 10 0 AEAERP CC1CC[NH+](CC[C@@H](C)CC[NH3+])CC1 238182524 572970217 /nfs/dbraw/zinc/97/02/17/572970217.db2.gz DRULXXVVSUJJMN-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922378 573000277 /nfs/dbraw/zinc/00/02/77/573000277.db2.gz AGGQWLLVPSPTMH-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)C[NH2+]CCCC[NH2+]C 130460885 573587205 /nfs/dbraw/zinc/58/72/05/573587205.db2.gz MIUKQRUIIXKHFV-UHFFFAOYSA-N 2 0 186.343 2.012 10 0 AEAERP CC[C@H](c1cccc(C[NH3+])c1)[NH+](C)C 259308604 573010256 /nfs/dbraw/zinc/01/02/56/573010256.db2.gz DGLSBAAZDLMUSI-GFCCVEGCSA-N 2 0 192.306 2.158 10 0 AEAERP CCCC[N@H+](CCC(N)=[NH2+])[C@@H](C)CC 42607927 573014242 /nfs/dbraw/zinc/01/42/42/573014242.db2.gz LXBLRABSBCPDCC-JTQLQIEISA-N 2 0 199.342 2.213 10 0 AEAERP CCC1(C[NH2+][C@H](C)[C@H](C)[NH3+])CCCC1 308475605 573014655 /nfs/dbraw/zinc/01/46/55/573014655.db2.gz DPQYBDJARPVZHX-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]1CC[N@H+](CCC(C)C)CC[NH2+]1 49660901 573024698 /nfs/dbraw/zinc/02/46/98/573024698.db2.gz GHFJOMGUNIXIEI-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)C[NH2+]CC1(C[NH3+])CCC1 130467305 573591410 /nfs/dbraw/zinc/59/14/10/573591410.db2.gz OFTFVDNNCNRVPA-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP C[NH2+]C[C@H]1CC[C@@H]1c1cnccc1C 87954336 573027362 /nfs/dbraw/zinc/02/73/62/573027362.db2.gz IZNJFPRYRBSFSA-MNOVXSKESA-N 2 0 190.290 2.103 10 0 AEAERP C[NH2+]C[C@@H]1CC[C@@H]1c1ccc(C)nc1 87954334 573028602 /nfs/dbraw/zinc/02/86/02/573028602.db2.gz PTTZQLVIXURJGS-JQWIXIFHSA-N 2 0 190.290 2.103 10 0 AEAERP C[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H](C)[NH3+] 42607221 573028699 /nfs/dbraw/zinc/02/86/99/573028699.db2.gz GVJPMTMOYUOBSF-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]C[C@@H]1CC[C@@H]1c1cnccc1C 87954338 573028736 /nfs/dbraw/zinc/02/87/36/573028736.db2.gz IZNJFPRYRBSFSA-QWRGUYRKSA-N 2 0 190.290 2.103 10 0 AEAERP C[NH2+]C[C@H]1CC[C@H]1c1cnccc1C 87954335 573028787 /nfs/dbraw/zinc/02/87/87/573028787.db2.gz IZNJFPRYRBSFSA-GHMZBOCLSA-N 2 0 190.290 2.103 10 0 AEAERP C[NH2+]C[C@@H]1CC[C@H]1c1ccc(C)nc1 87954333 573029076 /nfs/dbraw/zinc/02/90/76/573029076.db2.gz PTTZQLVIXURJGS-CMPLNLGQSA-N 2 0 190.290 2.103 10 0 AEAERP C[NH2+]C[C@@H]1CC[C@H]1c1cnccc1C 87954337 573029940 /nfs/dbraw/zinc/02/99/40/573029940.db2.gz IZNJFPRYRBSFSA-WDEREUQCSA-N 2 0 190.290 2.103 10 0 AEAERP CCC[NH2+][C@H]1CC[N@H+](C(C)C)[C@H](C)C1 49694204 573051675 /nfs/dbraw/zinc/05/16/75/573051675.db2.gz NOYHVDJLELUFCJ-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 82474700 573057950 /nfs/dbraw/zinc/05/79/50/573057950.db2.gz KEQIXHWCMKKBHR-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@](C)(C[NH3+])C[NH2+]C1(C)CCCC1 128507410 573058073 /nfs/dbraw/zinc/05/80/73/573058073.db2.gz OFJGZEYHJKFLLG-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])CC1(C)C 259320453 573058255 /nfs/dbraw/zinc/05/82/55/573058255.db2.gz IHHDCRSLSFPBJN-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H]([NH3+])CC[NH+]1CCC(C)CC1 128536803 573063040 /nfs/dbraw/zinc/06/30/40/573063040.db2.gz CPMJHMVAKBRKNK-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@@H+]1CCC[C@H](C)C1 128539519 573063241 /nfs/dbraw/zinc/06/32/41/573063241.db2.gz PTKXDVKCDRZXIV-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])CC1(C)C 259320449 573063318 /nfs/dbraw/zinc/06/33/18/573063318.db2.gz IHHDCRSLSFPBJN-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H]([NH3+])CC[NH+]1CCCCCC1 128539764 573063385 /nfs/dbraw/zinc/06/33/85/573063385.db2.gz IPUBQDNSWOIDGU-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+](CC)CCC 128554056 573069130 /nfs/dbraw/zinc/06/91/30/573069130.db2.gz BUYJJRUMRCJTLY-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@H]1CC[N@H+](CC(C)(C)CC[NH3+])C1 308492028 573081406 /nfs/dbraw/zinc/08/14/06/573081406.db2.gz RDYFHMIFBRJSIW-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[NH2+]CCCCCC[NH+]1CC=CC1 308502208 573091354 /nfs/dbraw/zinc/09/13/54/573091354.db2.gz ANESWKSSOPOFFC-UHFFFAOYSA-N 2 0 196.338 2.028 10 0 AEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(C)(C)C[NH3+])C1 238288683 573120657 /nfs/dbraw/zinc/12/06/57/573120657.db2.gz RMOLQKHIEXCHPT-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@@H]([NH3+])C[NH2+]CC(C)(C)C 40495003 573121602 /nfs/dbraw/zinc/12/16/02/573121602.db2.gz XVWKHCBCRCGYAG-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CCCC[C@H](C)[N@H+](C)CCC1C[NH2+]C1 308645603 573597930 /nfs/dbraw/zinc/59/79/30/573597930.db2.gz HEQZLVRONXNKTI-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259335026 573122293 /nfs/dbraw/zinc/12/22/93/573122293.db2.gz RWGYBGSWMOVDPR-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@]1(C[NH2+]C2CCCC2)CCC[NH2+]1 215396728 573597952 /nfs/dbraw/zinc/59/79/52/573597952.db2.gz UMVVXNKGBAMQOD-GFCCVEGCSA-N 2 0 196.338 2.051 10 0 AEAERP CCN(C[C@@]1(CC)CCC[NH2+]1)C(C)C 215405115 573598018 /nfs/dbraw/zinc/59/80/18/573598018.db2.gz DKLJMMYGUCJZSV-GFCCVEGCSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)(C)[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740377 573134944 /nfs/dbraw/zinc/13/49/44/573134944.db2.gz NMXBIRNESVMXOT-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[NH2+][C@@H](C)CC[NH+]1CCCC1 308507492 573161904 /nfs/dbraw/zinc/16/19/04/573161904.db2.gz JIUMVJSEIUBPEX-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CCC1([NH3+])CCCC1 82773010 573183014 /nfs/dbraw/zinc/18/30/14/573183014.db2.gz GCJROYAXGDSZLW-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1(C)CCCC1 82785574 573195634 /nfs/dbraw/zinc/19/56/34/573195634.db2.gz GXFCUBAZHPWCAA-MNOVXSKESA-N 2 0 196.338 2.131 10 0 AEAERP CC1([NH2+]C[C@@]2(C)CCC[NH2+]2)CCCC1 82785831 573195719 /nfs/dbraw/zinc/19/57/19/573195719.db2.gz AFLBLIUNZMZMDE-GFCCVEGCSA-N 2 0 196.338 2.051 10 0 AEAERP C[NH2+]C1CC[NH+](C2(C)CCCC2)CC1 82785582 573195797 /nfs/dbraw/zinc/19/57/97/573195797.db2.gz CFQMYONVRDPADU-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C1(C)CCCC1 82785573 573195896 /nfs/dbraw/zinc/19/58/96/573195896.db2.gz GXFCUBAZHPWCAA-WDEREUQCSA-N 2 0 196.338 2.131 10 0 AEAERP CCC[NH2+]C[C@H]([NH3+])CC1CCCCC1 308520798 573215164 /nfs/dbraw/zinc/21/51/64/573215164.db2.gz HOAUFOXVYXHFKY-GFCCVEGCSA-N 2 0 198.354 2.284 10 0 AEAERP CCCCCC[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 40740140 573215360 /nfs/dbraw/zinc/21/53/60/573215360.db2.gz PHKXPPFHLWMQTQ-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H](CCCC[NH3+])[N@H+](C)C1CCCC1 308645278 573599151 /nfs/dbraw/zinc/59/91/51/573599151.db2.gz GYUHLKXGRBZKEP-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCC(CC)C[N@H+](C)[C@@H](C)CC[NH3+] 129105911 573228647 /nfs/dbraw/zinc/22/86/47/573228647.db2.gz GNEPCRABBWVULQ-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP C[C@@H]1CC[C@H]1[NH2+]CC[C@@H]([NH3+])C(C)(C)C 308527599 573236940 /nfs/dbraw/zinc/23/69/40/573236940.db2.gz JRQDUUPFVAHTOX-GMTAPVOTSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)(C[NH3+])C[C@@H]([NH3+])c1ccccc1 259386902 573236970 /nfs/dbraw/zinc/23/69/70/573236970.db2.gz NLYZVNXOQCYDDQ-LLVKDONJSA-N 2 0 192.306 2.061 10 0 AEAERP CC(C)[N@@H+]1CC[C@H](CC[NH3+])CC1(C)C 259389474 573236358 /nfs/dbraw/zinc/23/63/58/573236358.db2.gz LRISEGICRPBNBB-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CCC1([NH+](C)C)CC[NH2+]CC1 258604109 573236401 /nfs/dbraw/zinc/23/64/01/573236401.db2.gz NNECTXCFVFAKPS-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)(C)[NH2+]Cc1cccc(C[NH3+])c1 258608150 573244709 /nfs/dbraw/zinc/24/47/09/573244709.db2.gz AYCVHTGIYIMNFA-UHFFFAOYSA-N 2 0 192.306 2.033 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](C)[NH3+] 308529182 573244394 /nfs/dbraw/zinc/24/43/94/573244394.db2.gz BVRIOGOMEFRCHJ-WOPDTQHZSA-N 2 0 198.354 2.377 10 0 AEAERP CC[NH+](CC)CC[C@@H](C=C(C)C)[NH2+]C 86059091 573244427 /nfs/dbraw/zinc/24/44/27/573244427.db2.gz BBBZRLPVQAYRPL-LBPRGKRZSA-N 2 0 198.354 2.273 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)[NH3+] 308529181 573244472 /nfs/dbraw/zinc/24/44/72/573244472.db2.gz BVRIOGOMEFRCHJ-SRVKXCTJSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[N@H+](CC)CC[C@@H]([NH3+])C(C)C 129210379 573258440 /nfs/dbraw/zinc/25/84/40/573258440.db2.gz NFCXSISZYCWXLE-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[C@@H](C)[NH+]1CCC([NH2+]C)CC1 50889001 573258751 /nfs/dbraw/zinc/25/87/51/573258751.db2.gz FQMLMEGXNXIVMX-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](CC[C@@H]([NH3+])C(C)C)C(C)C 129209834 573258841 /nfs/dbraw/zinc/25/88/41/573258841.db2.gz XHCXTYLEWQLWAW-LLVKDONJSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[N@H+](CC[C@@H]([NH3+])C(C)C)C1CC1 129211253 573258958 /nfs/dbraw/zinc/25/89/58/573258958.db2.gz AOLPCAFEBQPIPS-GFCCVEGCSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1C[C@H]([NH2+]C)CC1(C)C 259397298 573258983 /nfs/dbraw/zinc/25/89/83/573258983.db2.gz MBKNDZTUQABTIS-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@@H]1C/C=C\C[NH3+] 258264418 573259101 /nfs/dbraw/zinc/25/91/01/573259101.db2.gz RKEJDEWJFRNCBR-FHMRSRPSSA-N 2 0 196.338 2.154 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@H]1C/C=C\C[NH3+] 258264420 573259123 /nfs/dbraw/zinc/25/91/23/573259123.db2.gz RKEJDEWJFRNCBR-KTLBGCOUSA-N 2 0 196.338 2.154 10 0 AEAERP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CC[C@H]1C 308531465 573263126 /nfs/dbraw/zinc/26/31/26/573263126.db2.gz KYZKLJOZYSDASM-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([N@@H+](C)[C@H](C)CC(N)=[NH2+])C(C)(C)C 42782830 573262857 /nfs/dbraw/zinc/26/28/57/573262857.db2.gz YCILJYAFWOWQGJ-BDAKNGLRSA-N 2 0 199.342 2.067 10 0 AEAERP CC(C)[C@@H]([NH3+])CC[N@@H+]1CCCC1(C)C 129268133 573262916 /nfs/dbraw/zinc/26/29/16/573262916.db2.gz JWHPECOXDMIRQR-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C[NH2+]C)N1CCC(C)(C)C1 213145170 573277638 /nfs/dbraw/zinc/27/76/38/573277638.db2.gz SMOINAKBPZWJQG-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C1 129444212 573289976 /nfs/dbraw/zinc/28/99/76/573289976.db2.gz LPRKBEHIHXDJIU-SDDRHHMPSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@](C)([NH3+])C[NH2+][C@@H]1CCC1(C)C 308541453 573290048 /nfs/dbraw/zinc/29/00/48/573290048.db2.gz OCHGZFDKAGNYCX-PWSUYJOCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C)C[C@@](CC)(C[NH3+])[NH+]1CCC1 308547272 573312383 /nfs/dbraw/zinc/31/23/83/573312383.db2.gz QDIPYGAJLYLXMH-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH+]1CCC(/C=C\CC[NH3+])CC1 258000957 573311997 /nfs/dbraw/zinc/31/19/97/573311997.db2.gz AJPHETHXBCDKBG-HYXAFXHYSA-N 2 0 196.338 2.012 10 0 AEAERP C[C@H]1CCC[C@H](C)[NH+]1[C@H](C)CCC[NH3+] 308647503 573601733 /nfs/dbraw/zinc/60/17/33/573601733.db2.gz ICIDOPDBDYNJCO-SDDRHHMPSA-N 2 0 198.354 2.377 10 0 AEAERP CCC(CC)[NH2+]C[C@]1(C)C[NH2+]C[C@H]1C 308647765 573601853 /nfs/dbraw/zinc/60/18/53/573601853.db2.gz IEDHHTKTPAIFIC-PWSUYJOCSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1[C@@H](C)CCC[C@H]1C 308647504 573601858 /nfs/dbraw/zinc/60/18/58/573601858.db2.gz ICIDOPDBDYNJCO-TUAOUCFPSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[N@@H+]1CCC[NH2+]C2(CCCC2)C1 82941653 573312799 /nfs/dbraw/zinc/31/27/99/573312799.db2.gz PNNJXNPNRFMJJJ-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@H]1CCNCC[N@@H+]1CCC(C)(C)C 82942915 573312951 /nfs/dbraw/zinc/31/29/51/573312951.db2.gz DPQGQIISEUMHBE-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]([NH3+])CCC[C@@H](C)C[NH+]1CC=CC1 308546698 573312991 /nfs/dbraw/zinc/31/29/91/573312991.db2.gz PNXVJWNVQPKNCN-NEPJUHHUSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[N@@H+]1C[C@](C)(CC)NCC[C@@H]1C 82943612 573313089 /nfs/dbraw/zinc/31/30/89/573313089.db2.gz YNJHHQHBHSDHKR-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)CC1(C)C 106876329 573322767 /nfs/dbraw/zinc/32/27/67/573322767.db2.gz KWOMVCBAPLKOFV-SNVBAGLBSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)C1(C[NH3+])CCC([NH+](C)C)CC1 106876240 573323269 /nfs/dbraw/zinc/32/32/69/573323269.db2.gz ULNREWFBPKBPJR-UHFFFAOYSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[N@@H+]1CC[C@H](CC[NH3+])C1(C)C 259420092 573333854 /nfs/dbraw/zinc/33/38/54/573333854.db2.gz NJKVWPWLJDLSHB-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@@H](CC(C)C)CC1CC[NH2+]CC1 259423456 573336767 /nfs/dbraw/zinc/33/67/67/573336767.db2.gz NPJWSPXWZJPABN-LBPRGKRZSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]1 308559706 573336797 /nfs/dbraw/zinc/33/67/97/573336797.db2.gz WMXODLABPYWSRI-RYUDHWBXSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH2+][C@@H]1CCC1(C)C 308562075 573361004 /nfs/dbraw/zinc/36/10/04/573361004.db2.gz XYHYMMDUCBEBDN-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)CC[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 258638187 573361077 /nfs/dbraw/zinc/36/10/77/573361077.db2.gz DUTFOTAMPWWBPD-LLVKDONJSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+][C@@H]1CCC1(C)C 308562078 573363711 /nfs/dbraw/zinc/36/37/11/573363711.db2.gz XYHYMMDUCBEBDN-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)CC[NH2+][C@H]1CC[NH2+]C(C)(C)C1 258638189 573363745 /nfs/dbraw/zinc/36/37/45/573363745.db2.gz DUTFOTAMPWWBPD-NSHDSACASA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+][C@H]1CCC1(C)C 308562077 573363102 /nfs/dbraw/zinc/36/31/02/573363102.db2.gz XYHYMMDUCBEBDN-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H](C[NH3+])[C@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C 86312782 573363345 /nfs/dbraw/zinc/36/33/45/573363345.db2.gz XKLMYPMAHOMSLQ-RHYQMDGZSA-N 2 0 198.354 2.090 10 0 AEAERP CC[N@@H+]1CCC[C@@H]1C[C@@]1(C)CCC[NH2+]1 258312385 573363463 /nfs/dbraw/zinc/36/34/63/573363463.db2.gz VNDSCQZPBWFLQU-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@H](CC1CC1)[NH2+]CCC(C)(C)[NH3+] 308562126 573363507 /nfs/dbraw/zinc/36/35/07/573363507.db2.gz YCLNRWHOMISKOD-LLVKDONJSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H](C[NH3+])[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 86312558 573363672 /nfs/dbraw/zinc/36/36/72/573363672.db2.gz QGHGSPHOJJYIFN-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP [NH3+][C@H]1CCCC[C@H]1CC[NH2+]C1CCC1 308563579 573369783 /nfs/dbraw/zinc/36/97/83/573369783.db2.gz GODRZZGVOKKGDA-JQWIXIFHSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+][C@@H]1CCCC[C@H]1CC[NH2+]C1CCC1 308563578 573369792 /nfs/dbraw/zinc/36/97/92/573369792.db2.gz GODRZZGVOKKGDA-CMPLNLGQSA-N 2 0 196.338 2.036 10 0 AEAERP C[NH2+]C1CCC(C[NH2+]CC(C)C)CC1 258640917 573380684 /nfs/dbraw/zinc/38/06/84/573380684.db2.gz FAVPDQDDPWAZQF-UHFFFAOYSA-N 2 0 198.354 2.010 10 0 AEAERP C/C=C\CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 308377133 573380720 /nfs/dbraw/zinc/38/07/20/573380720.db2.gz BMOJBNXSULSWHC-YYEJGFRBSA-N 2 0 196.338 2.010 10 0 AEAERP CC[NH2+]C(C)(C)C[NH2+]C[C@H](C)C1CC1 133154880 573380731 /nfs/dbraw/zinc/38/07/31/573380731.db2.gz PWHJMHSIQWRJOO-JTQLQIEISA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH+](CC)[C@H](C)C[C@H]1CCCC[NH2+]1 126151478 573382543 /nfs/dbraw/zinc/38/25/43/573382543.db2.gz MHVLJLHXHYHARJ-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+]C[C@H](C)C1CC1 133210283 573381724 /nfs/dbraw/zinc/38/17/24/573381724.db2.gz YUXDQYJVPIKHEX-JQWIXIFHSA-N 2 0 198.354 2.140 10 0 AEAERP CC/C=C(\C)C[N@@H+]1CCC[C@@H](C[NH3+])C1 308377199 573382216 /nfs/dbraw/zinc/38/22/16/573382216.db2.gz UONQDLZUXLIKIH-JVOXIWMLSA-N 2 0 196.338 2.013 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH2+]C[C@@H](C)C1CC1 133210076 573382315 /nfs/dbraw/zinc/38/23/15/573382315.db2.gz YUXDQYJVPIKHEX-ZYHUDNBSSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@H]([NH3+])C[NH2+]C[C@H](C)C1CC1 133214298 573383690 /nfs/dbraw/zinc/38/36/90/573383690.db2.gz BMSZAVOJFHMTPF-JQWIXIFHSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H](C[NH2+]CCCCCC[NH3+])C1CC1 133170175 573382963 /nfs/dbraw/zinc/38/29/63/573382963.db2.gz DEKVYBZPMIPUFF-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CC[NH2+][C@H](C)CC[NH2+]C[C@H](C)C1CC1 133202384 573383776 /nfs/dbraw/zinc/38/37/76/573383776.db2.gz RSQMTKOWOKEAIW-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CCCC[C@@H]([NH3+])C[NH2+]C[C@@H](C)C1CC1 133214109 573383163 /nfs/dbraw/zinc/38/31/63/573383163.db2.gz BMSZAVOJFHMTPF-ZYHUDNBSSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+]CCC[C@@H](C1CCCC1)[NH+](C)C 259435731 573390145 /nfs/dbraw/zinc/39/01/45/573390145.db2.gz IRQZTLYCAMDKFG-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH3+])CCCC[NH2+]C[C@H](C)C1CC1 133249802 573390400 /nfs/dbraw/zinc/39/04/00/573390400.db2.gz JRRJZLJGPWKZAG-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](C[NH2+]CCCC(C)(C)[NH3+])C1CC1 133257745 573392218 /nfs/dbraw/zinc/39/22/18/573392218.db2.gz JZKSGKNQDINLEH-SNVBAGLBSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@](C)([NH3+])C[NH2+]C[C@@H](C)C1CC1 133254126 573392230 /nfs/dbraw/zinc/39/22/30/573392230.db2.gz OEXPSPVCCLXANM-ZYHUDNBSSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH3+])CCCC[NH2+]C[C@H](C)C1CC1 133249618 573392457 /nfs/dbraw/zinc/39/24/57/573392457.db2.gz JRRJZLJGPWKZAG-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[N@@H+]1CCC[NH2+]CCC1(C)C 259438207 573397881 /nfs/dbraw/zinc/39/78/81/573397881.db2.gz OJRXADXHFXUXBJ-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCC1(CC)C[N@@H+](C2CC2)CCC[NH2+]1 83091551 573397908 /nfs/dbraw/zinc/39/79/08/573397908.db2.gz VKYGFPMROWPUKJ-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[N@H+](CC)[C@H]1CC[NH2+][C@H](C)C1 252950707 573409042 /nfs/dbraw/zinc/40/90/42/573409042.db2.gz OTCJMVCXBLVNDY-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+]C(C)(C)C[NH2+][C@@H]1CCC1(C)C 308579841 573418024 /nfs/dbraw/zinc/41/80/24/573418024.db2.gz GECKKRMBMOXJGV-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]([NH3+])C[NH2+]CC(C)(C)C1CCCC1 258646197 573417332 /nfs/dbraw/zinc/41/73/32/573417332.db2.gz ABIGIEAMABZTRD-JTQLQIEISA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C[NH3+])CC[NH2+]C1CCCCC1 258647290 573417485 /nfs/dbraw/zinc/41/74/85/573417485.db2.gz FNZUCMJYPHSNLH-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CC[NH2+]C(C)(C)C[NH2+][C@H]1CCC1(C)C 308579840 573417502 /nfs/dbraw/zinc/41/75/02/573417502.db2.gz GECKKRMBMOXJGV-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86410341 573417684 /nfs/dbraw/zinc/41/76/84/573417684.db2.gz DXQLNABORMAZOK-SDDRHHMPSA-N 2 0 198.354 2.233 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CC[C@H]([NH3+])C1CC1 130018739 573421996 /nfs/dbraw/zinc/42/19/96/573421996.db2.gz ZIQMORQYAMRWQN-PWSUYJOCSA-N 2 0 198.354 2.234 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@@H]1CCC[C@H]([NH3+])C1 86432595 573422090 /nfs/dbraw/zinc/42/20/90/573422090.db2.gz NEYJRQSPSQYBQT-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)C[N@H+](CC)C1CC[NH2+]CC1 50427171 573421547 /nfs/dbraw/zinc/42/15/47/573421547.db2.gz VUYHVNYMCMOIDJ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C[NH3+])n1cncc1C1CCC1 133700994 573421630 /nfs/dbraw/zinc/42/16/30/573421630.db2.gz ZNRVSBMUXIDXTD-SNVBAGLBSA-N 2 0 193.294 2.060 10 0 AEAERP CC[C@H](C)C[N@H+](CC)C1CC[NH2+]CC1 50427172 573421704 /nfs/dbraw/zinc/42/17/04/573421704.db2.gz VUYHVNYMCMOIDJ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)CC[C@H]([NH3+])C1CC1 130019195 573421715 /nfs/dbraw/zinc/42/17/15/573421715.db2.gz ZETHMICSFFIQHW-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)C[N@H+](C)CC[C@H]([NH3+])C1CC1 130019812 573421908 /nfs/dbraw/zinc/42/19/08/573421908.db2.gz CWOLDHBLUDXDSI-JQWIXIFHSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH+](CCC)CC[C@H]([NH3+])C1CC1 130005271 573426706 /nfs/dbraw/zinc/42/67/06/573426706.db2.gz YFQFDAQPRPGZTF-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@@H+]1CCC[C@@H](C[NH3+])C1(C)C 259448796 573441696 /nfs/dbraw/zinc/44/16/96/573441696.db2.gz PBAOCMGKZJOCEF-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C)C1 126260605 573445021 /nfs/dbraw/zinc/44/50/21/573445021.db2.gz XNRIAZOAHVBSGF-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)(C)CC(C)(C)[NH2+]C/C=C\C[NH3+] 308586940 573445155 /nfs/dbraw/zinc/44/51/55/573445155.db2.gz MVLMJGJSFALQSV-SREVYHEPSA-N 2 0 198.354 2.306 10 0 AEAERP CC[N@@H+]1CCC[C@H]1[C@@]1(C)CCCC[NH2+]1 258362510 573453675 /nfs/dbraw/zinc/45/36/75/573453675.db2.gz ZKMYIFGMJJBMIV-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC[N@@H+]1CCC[C@@H]1[C@]1(C)CCCC[NH2+]1 258362508 573458878 /nfs/dbraw/zinc/45/88/78/573458878.db2.gz ZKMYIFGMJJBMIV-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC[N@@H+]1CCC[C@H]1[C@]1(C)CCCC[NH2+]1 258362511 573458293 /nfs/dbraw/zinc/45/82/93/573458293.db2.gz ZKMYIFGMJJBMIV-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@H]1C[C@@H]1[NH2+]CCC[NH2+]C(C)C 233404870 573459929 /nfs/dbraw/zinc/45/99/29/573459929.db2.gz JZSCUPPBTPFUOF-RYUDHWBXSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H]1CCC[C@@H]([NH2+]C/C=C\C[NH3+])CC1 308591855 573460751 /nfs/dbraw/zinc/46/07/51/573460751.db2.gz PJNUDZPJOWSIDG-JDEDCZITSA-N 2 0 196.338 2.060 10 0 AEAERP CCCC[C@H](C)[NH2+]CC[C@@H]([NH3+])C1CC1 130085147 573461395 /nfs/dbraw/zinc/46/13/95/573461395.db2.gz PWELLFLATXNVRH-CMPLNLGQSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+][C@H]1CC[C@@H]1C 308582803 573472079 /nfs/dbraw/zinc/47/20/79/573472079.db2.gz HGYKCNBMJJRPBN-SRVKXCTJSA-N 2 0 198.354 2.140 10 0 AEAERP CC1([NH2+]CC[C@@H]([NH3+])C2CC2)CCCC1 130116673 573472088 /nfs/dbraw/zinc/47/20/88/573472088.db2.gz OZUWMTMUBGRRDB-LLVKDONJSA-N 2 0 196.338 2.036 10 0 AEAERP C[NH2+][C@@H](CC(C)C)C[C@@H]1CCCC[NH2+]1 259466542 573481376 /nfs/dbraw/zinc/48/13/76/573481376.db2.gz PWWGKXLTUWXJIH-RYUDHWBXSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H](CCCC[NH3+])Nc1cc[nH+]cc1 308594975 573480888 /nfs/dbraw/zinc/48/08/88/573480888.db2.gz YAZJEXUKDZXEDE-JTQLQIEISA-N 2 0 193.294 2.011 10 0 AEAERP C[C@H](CCCC[NH3+])Nc1cc[nH+]cc1 308594976 573481342 /nfs/dbraw/zinc/48/13/42/573481342.db2.gz YAZJEXUKDZXEDE-SNVBAGLBSA-N 2 0 193.294 2.011 10 0 AEAERP CCCC[N@@H+]1C[C@H](C[NH3+])CCC1(C)C 259470479 573484269 /nfs/dbraw/zinc/48/42/69/573484269.db2.gz QSGLYUSLYODKGG-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@]1(CC[NH+]2CCCC2)CCCC[NH2+]1 258044365 573495437 /nfs/dbraw/zinc/49/54/37/573495437.db2.gz QJTUEYXCWAPDTG-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@]1(CC[NH+]2CCCC2)CCCC[NH2+]1 258044362 573495754 /nfs/dbraw/zinc/49/57/54/573495754.db2.gz QJTUEYXCWAPDTG-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@H]([NH3+])CC[NH2+]CC(C)(C)C1CCC1 258694229 573496002 /nfs/dbraw/zinc/49/60/02/573496002.db2.gz GCUTURWIJSNTKH-JTQLQIEISA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[C@@H]([NH3+])c1ccc(C[NH3+])cc1 259110532 573502852 /nfs/dbraw/zinc/50/28/52/573502852.db2.gz BMOZXIWDNDOEAJ-GFCCVEGCSA-N 2 0 192.306 2.191 10 0 AEAERP CC[N@@H+]1CCC[C@@H]1CC1([NH3+])CCCC1 258049166 573503025 /nfs/dbraw/zinc/50/30/25/573503025.db2.gz OWTPBZNUSSYMEZ-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CCC[C@@H]1CCC[C@]([NH3+])(C[NH3+])CC1 83437698 573503230 /nfs/dbraw/zinc/50/32/30/573503230.db2.gz OKCBUPQTOMRLIK-GHMZBOCLSA-N 2 0 184.327 2.023 10 0 AEAERP CCC(CC)C[NH2+]CC1CC[NH2+]CC1 130243214 573503303 /nfs/dbraw/zinc/50/33/03/573503303.db2.gz YNALFDHXVPHMQJ-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1C/C=C\CC[NH3+] 258049069 573503456 /nfs/dbraw/zinc/50/34/56/573503456.db2.gz CYRVCHDWAODDQX-VSQXVHSFSA-N 2 0 196.338 2.156 10 0 AEAERP Cc1ccc([C@H]([NH3+])C[C@H](C)[NH3+])c(C)c1 259110489 573503467 /nfs/dbraw/zinc/50/34/67/573503467.db2.gz BLRUXLYYMWZNIK-CMPLNLGQSA-N 2 0 192.306 2.041 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1C/C=C\C[NH2+]C 258049120 573503617 /nfs/dbraw/zinc/50/36/17/573503617.db2.gz CZUMTLKYOYKYSW-RNZFLTOJSA-N 2 0 196.338 2.027 10 0 AEAERP CC[N@@H+]1CCC[C@H]1CC1([NH3+])CCCC1 258049169 573504970 /nfs/dbraw/zinc/50/49/70/573504970.db2.gz OWTPBZNUSSYMEZ-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP Cc1ccc([C@H]([NH3+])CCC[NH3+])cc1C 259481105 573505004 /nfs/dbraw/zinc/50/50/04/573505004.db2.gz SJLQHIGJDYPAHE-GFCCVEGCSA-N 2 0 192.306 2.042 10 0 AEAERP CC(C)C[C@H]([NH3+])c1ccc(C[NH3+])cc1 259110533 573505162 /nfs/dbraw/zinc/50/51/62/573505162.db2.gz BMOZXIWDNDOEAJ-LBPRGKRZSA-N 2 0 192.306 2.191 10 0 AEAERP Cc1ccc([C@H]([NH3+])C[C@@H](C)[NH3+])c(C)c1 259110492 573505331 /nfs/dbraw/zinc/50/53/31/573505331.db2.gz BLRUXLYYMWZNIK-ZYHUDNBSSA-N 2 0 192.306 2.041 10 0 AEAERP CCC[C@@H]1CCC[C@@]([NH3+])(C[NH3+])CC1 83437700 573506811 /nfs/dbraw/zinc/50/68/11/573506811.db2.gz OKCBUPQTOMRLIK-MNOVXSKESA-N 2 0 184.327 2.023 10 0 AEAERP CC(C)(C[NH2+]CCC[NH3+])C1CCCC1 258711461 573507972 /nfs/dbraw/zinc/50/79/72/573507972.db2.gz HXSDIJCIIKOQJN-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP C[NH2+][C@H](C1CCCCC1)[C@H](C)CC[NH3+] 259111000 573514871 /nfs/dbraw/zinc/51/48/71/573514871.db2.gz AVMRJKHWARVCST-PWSUYJOCSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+][C@H]1CC[C@@H]([N@H+](C)C2CCCC2)C1 86618724 573522051 /nfs/dbraw/zinc/52/20/51/573522051.db2.gz FRASXKLBFKNZSC-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@H](CC[NH+](C)C)CC1(C)CCC1 308607294 573521746 /nfs/dbraw/zinc/52/17/46/573521746.db2.gz JEGHFCQFEJAOBU-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H]1CC[C@H]([NH+]2CCCCC2)C1 86618456 573522296 /nfs/dbraw/zinc/52/22/96/573522296.db2.gz ZRSKQSICQWWSBT-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@@H]1CC[C@@H]([NH+]2CCCCC2)C1 86618458 573522323 /nfs/dbraw/zinc/52/23/23/573522323.db2.gz ZRSKQSICQWWSBT-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP Cc1cccc([C@H]([NH3+])CC(C)(C)[NH3+])c1 259486955 573523923 /nfs/dbraw/zinc/52/39/23/573523923.db2.gz SQLMWDZVQMVCBQ-LLVKDONJSA-N 2 0 192.306 2.122 10 0 AEAERP Cc1cccc([C@@H]([NH3+])CC(C)(C)[NH3+])c1 259486958 573526574 /nfs/dbraw/zinc/52/65/74/573526574.db2.gz SQLMWDZVQMVCBQ-NSHDSACASA-N 2 0 192.306 2.122 10 0 AEAERP C[NH2+]C1CCC([C@H]([NH3+])C(C)(C)C)CC1 259487125 573526620 /nfs/dbraw/zinc/52/66/20/573526620.db2.gz SRGUUWVLRJFJDA-ILDUYXDCSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H](C)[N@@H+]1C[C@H](CC[NH3+])CC1(C)C 259499978 573544398 /nfs/dbraw/zinc/54/43/98/573544398.db2.gz SXVKJQMRDYNOTL-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)(CC[NH3+])C[NH2+][C@@H]1CCC1(C)C 308627544 573544404 /nfs/dbraw/zinc/54/44/04/573544404.db2.gz XGCHKHDOJFNHEM-SNVBAGLBSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+]C1CCC([N@@H+]2CCC[C@H]2C)CC1 86658270 573544562 /nfs/dbraw/zinc/54/45/62/573544562.db2.gz AYVPUUYNKJPHIW-VOMCLLRMSA-N 2 0 196.338 2.001 10 0 AEAERP CC1(C)C[C@@H]([NH3+])CC[N@@H+]1C1CCCC1 259501528 573544858 /nfs/dbraw/zinc/54/48/58/573544858.db2.gz SYWQTHPGBZZJIB-JTQLQIEISA-N 2 0 196.338 2.131 10 0 AEAERP C[NH+](C)[C@@H]1CCCCC[C@H]1CCC[NH3+] 82384162 573556472 /nfs/dbraw/zinc/55/64/72/573556472.db2.gz QPEKNQMFFZSDKV-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)[N@@H+]1CCC[NH2+]CCC1(C)C 259506923 573556060 /nfs/dbraw/zinc/55/60/60/573556060.db2.gz UERDNYBFWZWJMS-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CCN(CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C 308633472 573567733 /nfs/dbraw/zinc/56/77/33/573567733.db2.gz ZZSPMWYYKAXFPG-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C1CCC([NH+]2CCCC2)CC1 86681033 573567221 /nfs/dbraw/zinc/56/72/21/573567221.db2.gz MKIIZEDIPDWWHL-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+]C1CCC([N@@H+]2CC[C@H]2C)CC1 86681039 573567285 /nfs/dbraw/zinc/56/72/85/573567285.db2.gz AMHLYJWINDLYSE-VOMCLLRMSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)[NH2+][C@H](C)c1ccc(C[NH3+])cc1 86681885 573567323 /nfs/dbraw/zinc/56/73/23/573567323.db2.gz LMILCWTWTJRXJJ-SNVBAGLBSA-N 2 0 192.306 2.204 10 0 AEAERP C[C@@H](C[NH3+])C[NH2+]CCC1(C)CCCC1 308624445 573567408 /nfs/dbraw/zinc/56/74/08/573567408.db2.gz ZPHIPWAGLDSWMI-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP C[NH2+]C1CCC([NH+]2CCCCC2)CC1 86680511 573567542 /nfs/dbraw/zinc/56/75/42/573567542.db2.gz ITMRDBWEWJSNPY-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[NH2+]CCC1(C)C 259513626 573574960 /nfs/dbraw/zinc/57/49/60/573574960.db2.gz URGMGUBRABSVGT-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[NH2+]CCC1(C)C 259513629 573575173 /nfs/dbraw/zinc/57/51/73/573575173.db2.gz URGMGUBRABSVGT-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]([NH3+])c1ccc2c(c1)[C@H]([NH3+])CCC2 238445168 573575366 /nfs/dbraw/zinc/57/53/66/573575366.db2.gz AOOPXOWELAZUBO-QPUJVOFHSA-N 2 0 190.290 2.042 10 0 AEAERP C[NH2+]CCC[N@H+](C)CC1(C)CCCC1 308636906 573575407 /nfs/dbraw/zinc/57/54/07/573575407.db2.gz BIMLQERCTTXURS-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCCC[N@@H+]1C[C@H](C[NH2+]C)CC1(C)C 259521059 573589255 /nfs/dbraw/zinc/58/92/55/573589255.db2.gz VIGWMZGNGFZTNQ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@@H+]1CC[C@H](C[NH2+]C)[C@@H]1C 259136818 573593501 /nfs/dbraw/zinc/59/35/01/573593501.db2.gz DLLYUDBSKDSCMH-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](CC(C)C)C(C)(C)C1 259521001 573593531 /nfs/dbraw/zinc/59/35/31/573593531.db2.gz VHHXDSQHNHMWLQ-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP Cc1ccc([C@H]([NH3+])CC[C@H](C)[NH3+])cc1 259521724 573593606 /nfs/dbraw/zinc/59/36/06/573593606.db2.gz VVRBWTZSRKJSNX-CMPLNLGQSA-N 2 0 192.306 2.122 10 0 AEAERP C[C@@H]([NH3+])CC[N@@H+]1CCCC(C)(C)CC1 83680328 573592885 /nfs/dbraw/zinc/59/28/85/573592885.db2.gz IUIQCNAKCGQIDF-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C[NH2+]CCCC[NH3+])C1CCC1 258813115 573592900 /nfs/dbraw/zinc/59/29/00/573592900.db2.gz DSBWYHVEJCWAJO-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP C[NH2+][C@H](CC[C@H](C)[NH3+])c1cccs1 259520338 573592988 /nfs/dbraw/zinc/59/29/88/573592988.db2.gz UCFFYYDSCWQVPR-DTWKUNHWSA-N 2 0 198.335 2.136 10 0 AEAERP CCCC[N@@H+]1C[C@@H](C[NH2+]C)CC1(C)C 259521056 573593020 /nfs/dbraw/zinc/59/30/20/573593020.db2.gz VIGWMZGNGFZTNQ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)C[NH2+]CC[C@@H]([NH3+])CC 130468243 573593083 /nfs/dbraw/zinc/59/30/83/573593083.db2.gz LQSNEOKAGYYOMU-NSHDSACASA-N 2 0 186.343 2.140 10 0 AEAERP C[NH2+][C@@H](CC[C@@H](C)[NH3+])c1cccs1 259520335 573593252 /nfs/dbraw/zinc/59/32/52/573593252.db2.gz UCFFYYDSCWQVPR-BDAKNGLRSA-N 2 0 198.335 2.136 10 0 AEAERP CC(C)C[N@@H+]1CCC[C@H](C[NH3+])C1(C)C 259520964 573593259 /nfs/dbraw/zinc/59/32/59/573593259.db2.gz VGXUYAFQCAGQHR-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP C/C=C\CN(CCC)[C@@H]1CCC[NH2+]C1 215414614 573596948 /nfs/dbraw/zinc/59/69/48/573596948.db2.gz ZVNGQFIXLGSPQK-KTLBGCOUSA-N 2 0 196.338 2.027 10 0 AEAERP CC[C@@H](C)C[NH2+]C[C@]1(CC)CCC[NH2+]1 215371261 573597237 /nfs/dbraw/zinc/59/72/37/573597237.db2.gz YJRHYEVVEZEEPM-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@@H](C)[N@H+](C)CCC1C[NH2+]C1 308645602 573597301 /nfs/dbraw/zinc/59/73/01/573597301.db2.gz HEQZLVRONXNKTI-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@]1(C[NH2+]C2CCCC2)CCC[NH2+]1 215396774 573597319 /nfs/dbraw/zinc/59/73/19/573597319.db2.gz UMVVXNKGBAMQOD-LBPRGKRZSA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@@]1(CC)CCC[NH2+]1 215371386 573599626 /nfs/dbraw/zinc/59/96/26/573599626.db2.gz YJRHYEVVEZEEPM-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+][C@H](CCC(C)(C)[NH3+])C1CCCC1 259529887 573613655 /nfs/dbraw/zinc/61/36/55/573613655.db2.gz UQCJIADWBUABPC-LLVKDONJSA-N 2 0 198.354 2.282 10 0 AEAERP C/C=C\C[N@@H+]1CCC[NH2+][C@@](C)(CC)C1 308407311 573613182 /nfs/dbraw/zinc/61/31/82/573613182.db2.gz ULOYCWWADTYYCL-RNZFLTOJSA-N 2 0 196.338 2.027 10 0 AEAERP CC/C=C\[C@@](CC)(C[NH3+])CCC[NH3+] 213390481 573613507 /nfs/dbraw/zinc/61/35/07/573613507.db2.gz GCWJLRBDRHOYMP-JPVGGKMYSA-N 2 0 184.327 2.047 10 0 AEAERP CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 142878088 573621854 /nfs/dbraw/zinc/62/18/54/573621854.db2.gz YJZZWAUWRSCRKL-UHFFFAOYSA-N 2 0 198.354 2.247 10 0 AEAERP CCCC[C@@H](C)[N@H+](C)C1CC[NH2+]CC1 308644882 573621998 /nfs/dbraw/zinc/62/19/98/573621998.db2.gz GMTVCJLBULHXIM-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC=CCC1 308650237 573627056 /nfs/dbraw/zinc/62/70/56/573627056.db2.gz KAFHEGKXDIAJOQ-NEPJUHHUSA-N 2 0 196.338 2.025 10 0 AEAERP CC[C@H]([NH3+])CCC[N@H+](C)CCC1CC1 308650467 573627194 /nfs/dbraw/zinc/62/71/94/573627194.db2.gz KCFBTMZPADKUIJ-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CCCC[NH3+])[N@H+](C)C[C@@H]1C[C@H]1C 308660671 573628314 /nfs/dbraw/zinc/62/83/14/573628314.db2.gz PSDJSQUXEQVBOJ-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC=CCC1 308650240 573628339 /nfs/dbraw/zinc/62/83/39/573628339.db2.gz KAFHEGKXDIAJOQ-VXGBXAGGSA-N 2 0 196.338 2.025 10 0 AEAERP CC[C@H](C)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 308659951 573628656 /nfs/dbraw/zinc/62/86/56/573628656.db2.gz PEPQUDQRYQOXIS-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@](C)([NH3+])C[NH2+]CC1(C)CCCC1 86810445 573630010 /nfs/dbraw/zinc/63/00/10/573630010.db2.gz NTMBOAFKYXWMCF-GFCCVEGCSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1C[C@H](C)[NH3+] 393667680 573635023 /nfs/dbraw/zinc/63/50/23/573635023.db2.gz NXXVLKWJIGQLAJ-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@@H+]1CCC(C)(C)[C@@H](CC[NH3+])C1 259148332 573636643 /nfs/dbraw/zinc/63/66/43/573636643.db2.gz FDVJAYIVIBEPQB-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@@H+]1CCC(C)(C)[C@H](CC[NH3+])C1 259148329 573637816 /nfs/dbraw/zinc/63/78/16/573637816.db2.gz FDVJAYIVIBEPQB-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C1 308653443 573643093 /nfs/dbraw/zinc/64/30/93/573643093.db2.gz LXDNOXSKNMRJRN-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCN(C)[C@@H]1CCCC(C)(C)[C@@H]1[NH2+]C 86842165 573643127 /nfs/dbraw/zinc/64/31/27/573643127.db2.gz KFFAMBFBSQAQKG-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)([NH3+])CCC[NH2+]CC1CCCC1 258830748 573643139 /nfs/dbraw/zinc/64/31/39/573643139.db2.gz GDBVIICVBIAFQL-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H](C[NH3+])c1nc(C(C)C)c(C)[nH]1 258829258 573643235 /nfs/dbraw/zinc/64/32/35/573643235.db2.gz ZLSAJOMWFHESIG-VIFPVBQESA-N 2 0 195.310 2.294 10 0 AEAERP CCC1(C[NH2+][C@@H](C)CCC[NH3+])CCC1 308654749 573643251 /nfs/dbraw/zinc/64/32/51/573643251.db2.gz MVJWUUXBGPEIHM-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N(C)CC 43334696 573643279 /nfs/dbraw/zinc/64/32/79/573643279.db2.gz IAJBOPDOCPRHHT-GXSJLCMTSA-N 2 0 196.294 2.010 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126715000 573643288 /nfs/dbraw/zinc/64/32/88/573643288.db2.gz GQENWUUDWFSBLK-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H](C[C@@H](C)C[NH3+])C1 259536901 573643327 /nfs/dbraw/zinc/64/33/27/573643327.db2.gz UYYNJCDVGYZEPX-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC=CCC1 308654013 573643490 /nfs/dbraw/zinc/64/34/90/573643490.db2.gz MFYPKIPNSIJEBN-RYUDHWBXSA-N 2 0 196.338 2.060 10 0 AEAERP CCCN(C)[C@H](c1ccco1)[C@@H](C)[NH3+] 43334743 573647498 /nfs/dbraw/zinc/64/74/98/573647498.db2.gz CEQYZDCXYOANMN-KOLCDFICSA-N 2 0 196.294 2.010 10 0 AEAERP CCCC[C@H](C)[N@H+](C)C[C@H]1CC[NH2+]C1 308653442 573647537 /nfs/dbraw/zinc/64/75/37/573647537.db2.gz LXDNOXSKNMRJRN-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@@H](C)[N@H+](C)C[C@H]1CC[NH2+]C1 308653440 573647882 /nfs/dbraw/zinc/64/78/82/573647882.db2.gz LXDNOXSKNMRJRN-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CCC[NH+](C)C)[NH2+][C@@H](C)C1CC1 308658131 573648646 /nfs/dbraw/zinc/64/86/46/573648646.db2.gz OWPMLYAGLJDFRL-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]CCC1=CCCCC1 308656713 573648671 /nfs/dbraw/zinc/64/86/71/573648671.db2.gz NVOVFBMSKOCXMS-WDEREUQCSA-N 2 0 196.338 2.202 10 0 AEAERP Cc1[nH]c(C2CC([NH3+])C2)nc1C(C)C 258833265 573648765 /nfs/dbraw/zinc/64/87/65/573648765.db2.gz ZYZVWENMMDAXRT-UHFFFAOYSA-N 2 0 193.294 2.046 10 0 AEAERP C[NH2+][C@@H](C)CC1=CCC[N@@H+](C(C)C)C1 258075236 573648948 /nfs/dbraw/zinc/64/89/48/573648948.db2.gz MNGHZTBTJJGREU-NSHDSACASA-N 2 0 196.338 2.025 10 0 AEAERP CCCN(C)[C@@H](c1ccco1)[C@@H](C)[NH3+] 43334742 573649005 /nfs/dbraw/zinc/64/90/05/573649005.db2.gz CEQYZDCXYOANMN-MWLCHTKSSA-N 2 0 196.294 2.010 10 0 AEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)CC 43334694 573649181 /nfs/dbraw/zinc/64/91/81/573649181.db2.gz IAJBOPDOCPRHHT-ONGXEEELSA-N 2 0 196.294 2.010 10 0 AEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CCC1=CCCCC1 308656708 573649295 /nfs/dbraw/zinc/64/92/95/573649295.db2.gz NVOVFBMSKOCXMS-GHMZBOCLSA-N 2 0 196.338 2.202 10 0 AEAERP C[C@@H](CCC[NH+](C)C)[NH2+][C@@H]1CC1(C)C 308655574 573649320 /nfs/dbraw/zinc/64/93/20/573649320.db2.gz NWAJOPKRFBPNRR-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@@H+]1CC[C@@H](C[NH2+]C)C1(C)C 259543713 573651430 /nfs/dbraw/zinc/65/14/30/573651430.db2.gz WUSTVHLWBXVPHJ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@@H+]1C[C@@H](CC[NH3+])CCC1(C)C 259542086 573651690 /nfs/dbraw/zinc/65/16/90/573651690.db2.gz WTLGTJGQZYBQTN-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H](C)[NH3+] 308656710 573651731 /nfs/dbraw/zinc/65/17/31/573651731.db2.gz NVOVFBMSKOCXMS-MNOVXSKESA-N 2 0 196.338 2.202 10 0 AEAERP CC[N@H+](C)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86850906 573651758 /nfs/dbraw/zinc/65/17/58/573651758.db2.gz QAJCDHBWICCLMB-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)(CC[NH3+])C[NH2+]CC1CCCC1 258838561 573651971 /nfs/dbraw/zinc/65/19/71/573651971.db2.gz GWALAKPVHCNDBT-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]CCC1=CCCCC1 308656712 573652109 /nfs/dbraw/zinc/65/21/09/573652109.db2.gz NVOVFBMSKOCXMS-QWRGUYRKSA-N 2 0 196.338 2.202 10 0 AEAERP C[NH2+]CCCC[NH2+]CC1CCCCC1 258838507 573652935 /nfs/dbraw/zinc/65/29/35/573652935.db2.gz GVKZPHMUNKMECU-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP [NH3+]C1(CC[NH+]2CCCCCC2)CCC1 86853803 573653320 /nfs/dbraw/zinc/65/33/20/573653320.db2.gz KFVPEKNHTTYLRN-UHFFFAOYSA-N 2 0 196.338 2.134 10 0 AEAERP C[C@H]([NH2+][C@H](C)CCC[NH+](C)C)C1CC1 308658130 573653520 /nfs/dbraw/zinc/65/35/20/573653520.db2.gz OWPMLYAGLJDFRL-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1C[C@H](CC[NH3+])CCC1(C)C 259542088 573654931 /nfs/dbraw/zinc/65/49/31/573654931.db2.gz WTLGTJGQZYBQTN-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[N@H+](C)C(C)(C)CC[NH3+] 258837705 573655215 /nfs/dbraw/zinc/65/52/15/573655215.db2.gz MQNZKNYGVJLNGT-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 393667677 573655485 /nfs/dbraw/zinc/65/54/85/573655485.db2.gz NXXVLKWJIGQLAJ-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+](CC)[C@@H](C)c1ccc(C[NH3+])o1 257842233 573658266 /nfs/dbraw/zinc/65/82/66/573658266.db2.gz MQWNVUQLDDUHTR-VIFPVBQESA-N 2 0 196.294 2.141 10 0 AEAERP CC1=C(C)CN(CC[NH2+]C(C)C)CC1 308663194 573659127 /nfs/dbraw/zinc/65/91/27/573659127.db2.gz RDVSJQYCULUDHF-UHFFFAOYSA-N 2 0 196.338 2.027 10 0 AEAERP C[N@H+](CCC1CC1)CCC(C)(C)C[NH3+] 308664709 573662719 /nfs/dbraw/zinc/66/27/19/573662719.db2.gz RWXKXYAIHDJHBX-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H]1CC[C@H]1[NH2+][C@H](C)CCC[NH+](C)C 308664715 573663153 /nfs/dbraw/zinc/66/31/53/573663153.db2.gz RXBOBBUIERQXSY-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)CCC1CC1 308664277 573663401 /nfs/dbraw/zinc/66/34/01/573663401.db2.gz ROBXMCVCVIXINM-CMPLNLGQSA-N 2 0 198.354 2.092 10 0 AEAERP CC1CC([NH2+][C@@H](C)CCC[NH+](C)C)C1 308664230 573665511 /nfs/dbraw/zinc/66/55/11/573665511.db2.gz RMOKLZKQHLUUIU-CXQJBGSLSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC(C)(C)C[NH2+]C[C@@H]1CCC[NH2+]1 258861355 573665601 /nfs/dbraw/zinc/66/56/01/573665601.db2.gz ISYVOWUOFOOUTE-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP C[C@H](CC[NH3+])C[NH2+]CCC1CCCC1 258861497 573667349 /nfs/dbraw/zinc/66/73/49/573667349.db2.gz IULQQKUJLFDEIS-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP C[C@@H](CCCC[NH3+])[N@H+](C)[C@@H](C)C1CC1 308661288 573667519 /nfs/dbraw/zinc/66/75/19/573667519.db2.gz PWSRBRYIYHGILZ-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](C1CC1)[N@@H+](C)[C@H](C)CCCC[NH3+] 308661287 573668037 /nfs/dbraw/zinc/66/80/37/573668037.db2.gz PWSRBRYIYHGILZ-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 393548067 573678783 /nfs/dbraw/zinc/67/87/83/573678783.db2.gz KKIJFVRBLVOKGU-BBBLOLIVSA-N 2 0 186.343 2.136 10 0 AEAERP CC(C)[N@H+]1CC=C(CCCC[NH3+])CC1 258079880 573678874 /nfs/dbraw/zinc/67/88/74/573678874.db2.gz MTQNTTZEHHRWKN-UHFFFAOYSA-N 2 0 196.338 2.156 10 0 AEAERP CCC(CC)[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] 393548068 573681572 /nfs/dbraw/zinc/68/15/72/573681572.db2.gz KKIJFVRBLVOKGU-GUBZILKMSA-N 2 0 186.343 2.136 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](CCC(C)C)C1(C)C 259159623 573687797 /nfs/dbraw/zinc/68/77/97/573687797.db2.gz ACKOGQAYRZPVFN-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@H]1CC[N@H+](C(C)C)C(C)(C)C1 259162123 573691037 /nfs/dbraw/zinc/69/10/37/573691037.db2.gz AEHDGFDRFKOEFG-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP [NH3+]C1(C[C@@H]2CCCC[NH2+]2)CCCCC1 258093611 573691116 /nfs/dbraw/zinc/69/11/16/573691116.db2.gz RRCZZIIIJHAGKB-NSHDSACASA-N 2 0 196.338 2.180 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[NH2+]CC(C)(C)C1 259556859 573693083 /nfs/dbraw/zinc/69/30/83/573693083.db2.gz XPNOAVPBJDYBGZ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@H+](C/C=C/C[NH3+])C1CC1 97190769 573693618 /nfs/dbraw/zinc/69/36/18/573693618.db2.gz KGIOBKZCDKQRHO-ONEGZZNKSA-N 2 0 196.338 2.012 10 0 AEAERP C[NH2+]CC/C=C\[C@@H]1CCC[N@@H+]1C(C)C 258088241 573694925 /nfs/dbraw/zinc/69/49/25/573694925.db2.gz GIXBBBAHZTZHRB-DJFZKKHWSA-N 2 0 196.338 2.025 10 0 AEAERP C[NH2+]CC/C=C\[C@H]1CCC[N@@H+]1C(C)C 258088246 573696253 /nfs/dbraw/zinc/69/62/53/573696253.db2.gz GIXBBBAHZTZHRB-KMSCOEIWSA-N 2 0 196.338 2.025 10 0 AEAERP C[N@H+](CCCC(C)(C)[NH3+])CCC1CC1 308682496 573703609 /nfs/dbraw/zinc/70/36/09/573703609.db2.gz YCVFETQNBZNIIL-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCNCC[NH2+][C@]1(C)CCCC[C@H]1C 308688737 573705766 /nfs/dbraw/zinc/70/57/66/573705766.db2.gz CCMALZIGPVBYDJ-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP C1CCCCN2CCC[NH2+][C@@H]2CCC1 238013586 573705932 /nfs/dbraw/zinc/70/59/32/573705932.db2.gz UKWIQUQIGKDHFI-LBPRGKRZSA-N 2 0 196.338 2.352 10 0 AEAERP CCNCC[NH2+][C@@]1(C)CCCC[C@H]1C 308688734 573706079 /nfs/dbraw/zinc/70/60/79/573706079.db2.gz CCMALZIGPVBYDJ-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@]1(C[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 258104828 573721062 /nfs/dbraw/zinc/72/10/62/573721062.db2.gz HJDYXGZATUAIAD-RYUDHWBXSA-N 2 0 196.338 2.051 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H]1CC1([NH3+])CCC1 258108237 573728259 /nfs/dbraw/zinc/72/82/59/573728259.db2.gz SNCCMIZXUVTFHF-LLVKDONJSA-N 2 0 196.338 2.131 10 0 AEAERP C[NH2+][C@H](CCC(C)(C)[NH3+])C(C)(C)C 259618928 573730522 /nfs/dbraw/zinc/73/05/22/573730522.db2.gz YTYYKEYTURHXBW-SECBINFHSA-N 2 0 186.343 2.138 10 0 AEAERP CCCC(C)(C)C[NH2+]CCCC[NH3+] 258896239 573735299 /nfs/dbraw/zinc/73/52/99/573735299.db2.gz LWAILTAMBBVZHK-UHFFFAOYSA-N 2 0 186.343 2.141 10 0 AEAERP CCC(C)(C)[C@@H](C[NH+]1CCCC1)[NH2+]C 308696413 573736565 /nfs/dbraw/zinc/73/65/65/573736565.db2.gz SYWCCARJRLNZPX-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@@]1(CC[NH+](C)C)CCCC[NH2+]1 258102034 573742440 /nfs/dbraw/zinc/74/24/40/573742440.db2.gz XXVHQLQOOSYUFD-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP [NH3+]C1(CC[C@H]2CC[NH2+]C2)CCCCC1 258115094 573742550 /nfs/dbraw/zinc/74/25/50/573742550.db2.gz SVVGGRUCVKLSJQ-NSHDSACASA-N 2 0 196.338 2.038 10 0 AEAERP C[C@H]([NH3+])c1ccccc1-c1ncc[nH]1 108299507 573742801 /nfs/dbraw/zinc/74/28/01/573742801.db2.gz ALURRDOIGRPCML-QMMMGPOBSA-N 2 0 187.246 2.096 10 0 AEAERP C[NH2+]CCC[NH2+][C@@]1(C)CCCC[C@@H]1C 308699548 573747215 /nfs/dbraw/zinc/74/72/15/573747215.db2.gz QMCBQTYRRMDGNQ-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+]C[C@@H]1CC[C@@H](C)C1 308701405 573747414 /nfs/dbraw/zinc/74/74/14/573747414.db2.gz VCNVZGFBGKWMNC-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]CCC[NH2+][C@]1(C)CCCC[C@H]1C 308699551 573747546 /nfs/dbraw/zinc/74/75/46/573747546.db2.gz QMCBQTYRRMDGNQ-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@H](C)CCCC[NH3+] 308702763 573747617 /nfs/dbraw/zinc/74/76/17/573747617.db2.gz VNSLBMJLQYVTAQ-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCC[NH3+] 308703649 573750030 /nfs/dbraw/zinc/75/00/30/573750030.db2.gz WCEDXSMSFWYXFT-VXGBXAGGSA-N 2 0 198.354 2.284 10 0 AEAERP CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 258907836 573750046 /nfs/dbraw/zinc/75/00/46/573750046.db2.gz HYNNYWQSCKDCAI-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+]CC1(C[N@H+](C)C(C)(C)C)CCC1 258919957 573750118 /nfs/dbraw/zinc/75/01/18/573750118.db2.gz GSFQIQQZGSHWMS-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CCCCCN1[C@@H]1CC[NH2+]C1 108307428 573750210 /nfs/dbraw/zinc/75/02/10/573750210.db2.gz FNHFMJNWPAKIBP-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[C@@H]1CCCC[N@@H+]1CC(C)(C)N 108310297 573750562 /nfs/dbraw/zinc/75/05/62/573750562.db2.gz OWLCBVYRYYTSRR-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CCCC[C@]1(C)[NH2+]C/C=C\C[NH3+] 308704056 573750585 /nfs/dbraw/zinc/75/05/85/573750585.db2.gz XDHOOKCZKBLCBU-DUVUQDDDSA-N 2 0 196.338 2.060 10 0 AEAERP C[C@@H](CCCC[NH3+])[N@@H+]1CCCC[C@@H]1C 308703454 573750636 /nfs/dbraw/zinc/75/06/36/573750636.db2.gz VUYLUDQDNPUZNO-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]([NH3+])C[NH2+][C@]1(C)CCCC[C@H]1C 308705112 573753305 /nfs/dbraw/zinc/75/33/05/573753305.db2.gz YRGJQHVRJMBVLK-IJLUTSLNSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]1CCCCCN1[C@@H]1CC[NH2+]C1 108307427 573753326 /nfs/dbraw/zinc/75/33/26/573753326.db2.gz FNHFMJNWPAKIBP-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] 258907840 573753684 /nfs/dbraw/zinc/75/36/84/573753684.db2.gz HYNNYWQSCKDCAI-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]1CCCC[C@@]1(C)[NH2+]CCCC[NH3+] 308703646 573753761 /nfs/dbraw/zinc/75/37/61/573753761.db2.gz WCEDXSMSFWYXFT-NWDGAFQWSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H]1CCCC[C@]1(C)[NH2+]C/C=C/C[NH3+] 308704053 573753831 /nfs/dbraw/zinc/75/38/31/573753831.db2.gz XDHOOKCZKBLCBU-AIIUZBJTSA-N 2 0 196.338 2.060 10 0 AEAERP CC[C@@H]([NH3+])C[NH2+][C@]1(C)CCCC[C@@H]1C 308705113 573753983 /nfs/dbraw/zinc/75/39/83/573753983.db2.gz YRGJQHVRJMBVLK-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](C)CCC1CCC1 258915459 573760246 /nfs/dbraw/zinc/76/02/46/573760246.db2.gz GJCHCWIWPWCQGF-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C[NH3+])C[N@H+](C)CCC1CCC1 258915457 573760347 /nfs/dbraw/zinc/76/03/47/573760347.db2.gz GJCHCWIWPWCQGF-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)CC[NH2+]CC[C@H]1CCC[NH2+]1 259178340 573767222 /nfs/dbraw/zinc/76/72/22/573767222.db2.gz ZAADWHNZVPFACT-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP C[C@H](CC[NH3+])C[N@H+](C)CCC1CCC1 258928292 573767357 /nfs/dbraw/zinc/76/73/57/573767357.db2.gz PBNNUPZBDZQATL-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](CCC[NH3+])[NH2+]CCC1CCCC1 308713130 573767674 /nfs/dbraw/zinc/76/76/74/573767674.db2.gz ZVRVOVBVOMLMDZ-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](CC1CC1)[NH2+][C@H](C)CCC[NH3+] 308712215 573767951 /nfs/dbraw/zinc/76/79/51/573767951.db2.gz ZJSIIKHKMWHLES-ZYHUDNBSSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](CC1CC1)[NH2+][C@H](C)CCC[NH3+] 308712214 573770228 /nfs/dbraw/zinc/77/02/28/573770228.db2.gz ZJSIIKHKMWHLES-PWSUYJOCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](CC1CC1)[NH2+][C@@H](C)CCC[NH3+] 308712212 573770720 /nfs/dbraw/zinc/77/07/20/573770720.db2.gz ZJSIIKHKMWHLES-CMPLNLGQSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@H](C)C[NH2+][C@@H]1CCN(C)C1 308711733 573770728 /nfs/dbraw/zinc/77/07/28/573770728.db2.gz ZEBSDPIBRTUHHC-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@@H](C)C[NH2+][C@@H]1CCN(C)C1 308711735 573771005 /nfs/dbraw/zinc/77/10/05/573771005.db2.gz ZEBSDPIBRTUHHC-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP Cc1ccc(C)c([C@H]([NH3+])C[C@@H](C)[NH3+])c1 259179984 573772436 /nfs/dbraw/zinc/77/24/36/573772436.db2.gz FFKIZNLYRMXINE-ZYHUDNBSSA-N 2 0 192.306 2.041 10 0 AEAERP CC[N@H+](CCC[C@@H](C)C[NH3+])C(C)C 131175743 573772930 /nfs/dbraw/zinc/77/29/30/573772930.db2.gz AKRYFBGYFIICGT-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H](N)[C@@H]([N@H+](C)C1CCC1)C(C)(C)C 127158090 573773000 /nfs/dbraw/zinc/77/30/00/573773000.db2.gz NXJPRYYDPYSOLN-GXSJLCMTSA-N 2 0 198.354 2.233 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1C(C)C 84127822 573773211 /nfs/dbraw/zinc/77/32/11/573773211.db2.gz KBAKXXGJCQIJRL-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC1CC[NH+](CCC[C@H](C)C[NH3+])CC1 131160203 573774360 /nfs/dbraw/zinc/77/43/60/573774360.db2.gz DNHYUAHYFUVZIX-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H]1CCCC[N@H+]1CCC[C@@H](C)C[NH3+] 131161941 573774376 /nfs/dbraw/zinc/77/43/76/573774376.db2.gz WALHPXFKIWYLFO-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C)CC[C@H]1[NH2+]CCC[C@H]1C 404898747 573774424 /nfs/dbraw/zinc/77/44/24/573774424.db2.gz BUAFLPJHYIDHPX-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP Cc1ccc(C)c([C@H]([NH3+])C[C@H](C)[NH3+])c1 259179976 573774614 /nfs/dbraw/zinc/77/46/14/573774614.db2.gz FFKIZNLYRMXINE-CMPLNLGQSA-N 2 0 192.306 2.041 10 0 AEAERP C[C@@H](N)[C@@H]([N@H+](C)C1CCC1)C(C)(C)C 127158285 573774829 /nfs/dbraw/zinc/77/48/29/573774829.db2.gz NXJPRYYDPYSOLN-MWLCHTKSSA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)CC[NH2+][C@@H](C)C[NH2+]C(C)C 162353990 573774839 /nfs/dbraw/zinc/77/48/39/573774839.db2.gz QPVXCJDQCWLDGX-NSHDSACASA-N 2 0 186.343 2.009 10 0 AEAERP CCCC[N@H+](C)CCC[C@H](C)C[NH3+] 131165962 573776350 /nfs/dbraw/zinc/77/63/50/573776350.db2.gz YKNIZABWZVXSGJ-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCCC[N@H+](C)CCC[C@@H](C)C[NH3+] 131165750 573776413 /nfs/dbraw/zinc/77/64/13/573776413.db2.gz YKNIZABWZVXSGJ-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[N@H+](CCC[C@H](C)C[NH3+])C(C)C 131175915 573776461 /nfs/dbraw/zinc/77/64/61/573776461.db2.gz AKRYFBGYFIICGT-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[NH2+][C@H]1CN(C(C)C)C[C@@H]1C 308734117 573778398 /nfs/dbraw/zinc/77/83/98/573778398.db2.gz KRFZYYQCJMZVMH-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](CCC[C@H](C)C[NH3+])C1CC1 131178218 573778679 /nfs/dbraw/zinc/77/86/79/573778679.db2.gz ZVBAKVUNUGIAGD-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](C[NH3+])CCC[N@H+](C)[C@@H](C)C1CC1 131188197 573778734 /nfs/dbraw/zinc/77/87/34/573778734.db2.gz HJGUSLSIHGSMGF-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C1CC1)[N@@H+](C)CCC[C@@H](C)C[NH3+] 131188379 573778996 /nfs/dbraw/zinc/77/89/96/573778996.db2.gz HJGUSLSIHGSMGF-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+]CCC(C)(C)C 258947221 573783475 /nfs/dbraw/zinc/78/34/75/573783475.db2.gz UJVVMXAIAMNMDG-UHFFFAOYSA-N 2 0 186.343 2.010 10 0 AEAERP CC[C@@H](C)[N@H+](CCC(N)=[NH2+])CC(C)C 43423051 573792982 /nfs/dbraw/zinc/79/29/82/573792982.db2.gz CKKKXMUSWQACPL-SNVBAGLBSA-N 2 0 199.342 2.069 10 0 AEAERP CCC[NH2+][C@@H](C)CC[N@H+](C)C1CCC1 127301243 573792471 /nfs/dbraw/zinc/79/24/71/573792471.db2.gz PLJOGFLCNQNNTA-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]([NH3+])C[C@@H]([NH3+])c1ccc(Cl)cc1 259187894 573792684 /nfs/dbraw/zinc/79/26/84/573792684.db2.gz FMLJVRXBEHTPLN-GMSGAONNSA-N 2 0 198.697 2.077 10 0 AEAERP C[C@H]([NH3+])C[C@@H]([NH3+])c1ccc(Cl)cc1 259187898 573793414 /nfs/dbraw/zinc/79/34/14/573793414.db2.gz FMLJVRXBEHTPLN-OIBJUYFYSA-N 2 0 198.697 2.077 10 0 AEAERP CC[NH2+][C@@H]1CC[C@H]([N@H+](C)C2CCC2)C1 127308806 573798958 /nfs/dbraw/zinc/79/89/58/573798958.db2.gz SMYRIVFAHSZHRU-PWSUYJOCSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)CCC[NH2+][C@@H]1CCCC[C@@H]1[NH3+] 258950474 573799406 /nfs/dbraw/zinc/79/94/06/573799406.db2.gz KLHQHDDIZYMNQO-NWDGAFQWSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)CCC[NH2+][C@H]1CCCC[C@@H]1[NH3+] 258950477 573799638 /nfs/dbraw/zinc/79/96/38/573799638.db2.gz KLHQHDDIZYMNQO-RYUDHWBXSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[N@@H+]1CC[C@H](CC[NH3+])C(C)(C)C1 259194324 573801301 /nfs/dbraw/zinc/80/13/01/573801301.db2.gz IKBCEVYVHKSTPA-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@@H+]1CC[C@@H](CC[NH3+])C(C)(C)C1 259192379 573802260 /nfs/dbraw/zinc/80/22/60/573802260.db2.gz IHEKCMCOIKULNA-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC(CC)[NH2+]C1CCC([NH2+]C)CC1 87156781 573802421 /nfs/dbraw/zinc/80/24/21/573802421.db2.gz SKVLCNWFFHDAQF-UHFFFAOYSA-N 2 0 198.354 2.295 10 0 AEAERP CC(C)[N@@H+]1CC[C@@H](CC[NH3+])C(C)(C)C1 259194322 573802564 /nfs/dbraw/zinc/80/25/64/573802564.db2.gz IKBCEVYVHKSTPA-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1(C)C 259571182 573802676 /nfs/dbraw/zinc/80/26/76/573802676.db2.gz YPGMTLDFDMOEGY-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP C[N@@H+]1CCC[C@H]1CCC1([NH3+])CCCC1 258133388 573803181 /nfs/dbraw/zinc/80/31/81/573803181.db2.gz UYFZFORQBVXMQR-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1(C)C 259571184 573803643 /nfs/dbraw/zinc/80/36/43/573803643.db2.gz YPGMTLDFDMOEGY-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1CC[C@H](CC[NH3+])C(C)(C)C1 259192383 573803657 /nfs/dbraw/zinc/80/36/57/573803657.db2.gz IHEKCMCOIKULNA-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)[N@@H+]1C[C@@H](CC[NH3+])CC1(C)C 259571195 573803725 /nfs/dbraw/zinc/80/37/25/573803725.db2.gz YPLVTIDZMVGRBW-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](C[NH3+])CCC[NH2+]C1CCCCC1 131196545 573819536 /nfs/dbraw/zinc/81/95/36/573819536.db2.gz QZPKDYJBUWHFJB-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[NH2+][C@@H](C)CCC[N@H+](C)C1CCC1 127313150 573819270 /nfs/dbraw/zinc/81/92/70/573819270.db2.gz XYMYGHFQJIAOMK-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](C)C[C@@H]1CCCC[C@@H]1C[NH3+] 84302979 573820650 /nfs/dbraw/zinc/82/06/50/573820650.db2.gz WVXRRTMOXMVOKU-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)CCCC[NH2+]CCCC[NH3+] 147593403 573820753 /nfs/dbraw/zinc/82/07/53/573820753.db2.gz VMMOUIOONNDYEY-UHFFFAOYSA-N 2 0 186.343 2.141 10 0 AEAERP CCCC[NH2+]C[C@H]1CCCC[C@H]1C[NH3+] 84303362 573820884 /nfs/dbraw/zinc/82/08/84/573820884.db2.gz YFUJGSVYWLFESH-NWDGAFQWSA-N 2 0 198.354 2.141 10 0 AEAERP CC[NH2+][C@H](C)CCC[N@H+](C)C1CCC1 127313390 573820964 /nfs/dbraw/zinc/82/09/64/573820964.db2.gz XYMYGHFQJIAOMK-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 308447524 573821129 /nfs/dbraw/zinc/82/11/29/573821129.db2.gz AAFSGPOKLQFEGP-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 308447523 573822404 /nfs/dbraw/zinc/82/24/04/573822404.db2.gz AAFSGPOKLQFEGP-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CCCC[NH2+]CC[C@@H](C)[NH3+] 147594084 573827253 /nfs/dbraw/zinc/82/72/53/573827253.db2.gz AHKWRADJDOMYOJ-LLVKDONJSA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)(C)C(C)(C)C[NH2+]CC1([NH3+])CC1 258964270 573827304 /nfs/dbraw/zinc/82/73/04/573827304.db2.gz BAPKHRODQUAOJH-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+][C@H](C)CCCC[N@H+](C)C1CCC1 127341066 573827351 /nfs/dbraw/zinc/82/73/51/573827351.db2.gz IUQBLARGBHUCIO-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@H]1C(C)(C)C[NH3+] 259573172 573829704 /nfs/dbraw/zinc/82/97/04/573829704.db2.gz YBINNMAGZHIUHP-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C(N)=[NH2+])[N@H+](CC(C)C)C(C)C 43541651 573834672 /nfs/dbraw/zinc/83/46/72/573834672.db2.gz LGKVJWGSBIBFHR-SNVBAGLBSA-N 2 0 199.342 2.067 10 0 AEAERP CC(C)C[C@@H]([NH3+])c1cccc(C[NH3+])c1 259573589 573834935 /nfs/dbraw/zinc/83/49/35/573834935.db2.gz YSXMIZUDTAYASG-GFCCVEGCSA-N 2 0 192.306 2.191 10 0 AEAERP CC[C@H](C)[NH2+][C@@H](C)CC[NH+]1CCCC1 308761549 573839200 /nfs/dbraw/zinc/83/92/00/573839200.db2.gz YCKKBWNMKNNKBA-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H](C[NH3+])C[NH2+][C@@]1(C)CCCC[C@H]1C 308760396 573840073 /nfs/dbraw/zinc/84/00/73/573840073.db2.gz WXIUPXKTTBTMGH-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP Cc1ccc([C@@H]([NH3+])CCC(C)(C)[NH3+])o1 259210108 573844204 /nfs/dbraw/zinc/84/42/04/573844204.db2.gz GJNQDGNYLVYIPX-VIFPVBQESA-N 2 0 196.294 2.105 10 0 AEAERP C[C@@H]1C[N@H+]([C@H](C)CCCC[NH3+])C[C@@H]1C 393669265 573846323 /nfs/dbraw/zinc/84/63/23/573846323.db2.gz CDOTUPLVUKEISH-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CCCC[N@@H+]1CC(C)(C)CC[NH3+] 308451878 573846344 /nfs/dbraw/zinc/84/63/44/573846344.db2.gz COSVBLNLHRCUKX-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1C[N@H+]([C@@H](C)CCCC[NH3+])C[C@@H]1C 393669272 573846397 /nfs/dbraw/zinc/84/63/97/573846397.db2.gz CDOTUPLVUKEISH-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@H+](C)CCC[C@H]1CCC[NH2+]C1 43591774 573850665 /nfs/dbraw/zinc/85/06/65/573850665.db2.gz OEMYVHREYLSEOQ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](C)CCC[C@H]1CCC[NH2+]C1 43591865 573851040 /nfs/dbraw/zinc/85/10/40/573851040.db2.gz HCXRZPUDOVUQBZ-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@@]1([C@@H]2CCC[N@@H+]2C)CCCC[NH2+]1 258161306 573853379 /nfs/dbraw/zinc/85/33/79/573853379.db2.gz KYFHFUHJNGKWBX-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH+](C)[C@@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 259213054 573852906 /nfs/dbraw/zinc/85/29/06/573852906.db2.gz AGSQAJKHYVFKNX-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1C[C@H](C[NH2+]C)CCC1(C)C 259212602 573852943 /nfs/dbraw/zinc/85/29/43/573852943.db2.gz COZKSROBDBILEB-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H](CC[NH3+])C1(C)C 259212731 573853087 /nfs/dbraw/zinc/85/30/87/573853087.db2.gz CQHCWYISLURNLV-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP C[C@]1(CC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 258154032 573854865 /nfs/dbraw/zinc/85/48/65/573854865.db2.gz KMLVQVSSUXOGKC-NWDGAFQWSA-N 2 0 196.338 2.051 10 0 AEAERP CC(C)C[NH2+]CCC[C@H]1CCC[NH2+]C1 43591941 573854879 /nfs/dbraw/zinc/85/48/79/573854879.db2.gz LNVWCDYQRPUHFX-LBPRGKRZSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[N@@H+]1C[C@@H](C[NH2+]C)CCC1(C)C 259212597 573854984 /nfs/dbraw/zinc/85/49/84/573854984.db2.gz COZKSROBDBILEB-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@@H+]1CCC[C@H](C[NH2+]C)C1 40592719 573856469 /nfs/dbraw/zinc/85/64/69/573856469.db2.gz OFCTVRIZUNCGGE-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 40592723 573857459 /nfs/dbraw/zinc/85/74/59/573857459.db2.gz OFCTVRIZUNCGGE-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)[NH2+]CC[C@H]1CC[C@H]([NH3+])C1 308458174 573861482 /nfs/dbraw/zinc/86/14/82/573861482.db2.gz CKZDTUHEXNEDDC-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H]([NH2+]C)[C@H](CC)[NH+]1CCCC1 43807147 573861527 /nfs/dbraw/zinc/86/15/27/573861527.db2.gz FQODTKGICHRHQM-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H](C)CC[NH+](CC)CC 43809716 573864359 /nfs/dbraw/zinc/86/43/59/573864359.db2.gz IGRDTYFQUWPXET-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@H](C)[NH2+]CC[C@@H]1CC[C@H]([NH3+])C1 308458173 573864521 /nfs/dbraw/zinc/86/45/21/573864521.db2.gz CKZDTUHEXNEDDC-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[C@]1(C)N[C@H](C)CC(C)(C)[NH2+]1 238165227 573872156 /nfs/dbraw/zinc/87/21/56/573872156.db2.gz JUUPOOUSUFLZCW-ZYHUDNBSSA-N 2 0 198.354 2.499 10 0 AEAERP CCCN(C1CC1)[C@H](C)[C@@H](CC)[NH2+]C 43885374 573872160 /nfs/dbraw/zinc/87/21/60/573872160.db2.gz CZMAUBCCCSWALD-ZYHUDNBSSA-N 2 0 198.354 2.247 10 0 AEAERP CCCN(CC)[C@H]1CCC[C@@H]1[NH2+]CC 43884547 573872194 /nfs/dbraw/zinc/87/21/94/573872194.db2.gz KWFKKHIATDWDAX-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H]([NH2+]C)[C@@H](C)N(CC)C(C)C 43824046 573871239 /nfs/dbraw/zinc/87/12/39/573871239.db2.gz UNPBBSMHXQPPDQ-MNOVXSKESA-N 2 0 186.343 2.103 10 0 AEAERP CCCN(C)[C@@H](C)[C@@H](CC)[NH2+]CC 43886074 573871291 /nfs/dbraw/zinc/87/12/91/573871291.db2.gz MWTLFAKUZLWPIR-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@@H](CC)[C@@H](C)N(C)CC1CC1 43905837 573871410 /nfs/dbraw/zinc/87/14/10/573871410.db2.gz XQXDRXZDMOAJQB-PWSUYJOCSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([NH3+])CCC[N@H+](C)CCC1CCC1 258976129 573871480 /nfs/dbraw/zinc/87/14/80/573871480.db2.gz UOLTWPPOTONXIZ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCN(CC)[C@@H](C)[C@@H](CC)[NH2+]C 43884334 573871730 /nfs/dbraw/zinc/87/17/30/573871730.db2.gz APNOPHDOMLIZPL-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CCC[C@@H]1C 43903950 573871834 /nfs/dbraw/zinc/87/18/34/573871834.db2.gz QORMMEWMHVIMDW-SDDRHHMPSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@@H]1CCC[C@H]1N(C)C1CC1 43823551 573872298 /nfs/dbraw/zinc/87/22/98/573872298.db2.gz LLRNRJCOOUNELP-VXGBXAGGSA-N 2 0 196.338 2.001 10 0 AEAERP CCCN(C)[C@H]1CCCC[C@@H]1[NH2+]CC 43886178 573872511 /nfs/dbraw/zinc/87/25/11/573872511.db2.gz FAUWANWBHQCWOC-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCCCN(C)[C@H]1CCCC[C@@H]1[NH2+]C 43816815 573872530 /nfs/dbraw/zinc/87/25/30/573872530.db2.gz OTLSKQCXVWWJQJ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H]([NH2+]C)[C@@H](C)N(C)[C@@H](C)C1CC1 43894681 573872547 /nfs/dbraw/zinc/87/25/47/573872547.db2.gz AUGFWLAJEUWGIF-UMNHJUIQSA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+][C@@H](C)CC[NH+]1CCCCCCC1 43819149 573872566 /nfs/dbraw/zinc/87/25/66/573872566.db2.gz KIRAMARNZVVDQT-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CCCCC1 43814584 573872589 /nfs/dbraw/zinc/87/25/89/573872589.db2.gz NPCURJTZTACPGS-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@@H](C)[C@H](C)N(C)CCC 43886483 573872744 /nfs/dbraw/zinc/87/27/44/573872744.db2.gz JHNQTTFUFSDMAQ-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP CCC1CC[NH+](CC[C@@H](C)[NH2+]C)CC1 43913311 573872853 /nfs/dbraw/zinc/87/28/53/573872853.db2.gz GZYNBVKNZGFAKG-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@]1(C)CCCC[NH2+]1 127390896 573872928 /nfs/dbraw/zinc/87/29/28/573872928.db2.gz NKFNOKZXZMIGIT-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+][C@H](C)CC[NH+]1CCCCCCC1 43819151 573873050 /nfs/dbraw/zinc/87/30/50/573873050.db2.gz KIRAMARNZVVDQT-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H](C)C[NH2+]C[C@]1(C)CCCC[NH2+]1 127390679 573874678 /nfs/dbraw/zinc/87/46/78/573874678.db2.gz NKFNOKZXZMIGIT-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)C[C@]1(C)N[C@@H](C)CC(C)(C)[NH2+]1 238165137 573873813 /nfs/dbraw/zinc/87/38/13/573873813.db2.gz JUUPOOUSUFLZCW-CMPLNLGQSA-N 2 0 198.354 2.499 10 0 AEAERP CC[C@@H]([NH2+]C)[C@H](C)N(C)C1CCCC1 43883611 573873849 /nfs/dbraw/zinc/87/38/49/573873849.db2.gz UCBBJDOYNAPLMM-CMPLNLGQSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@H](C)[C@@H](C)N(CC)C1CC1 43822417 573874079 /nfs/dbraw/zinc/87/40/79/573874079.db2.gz XDTVQLDUCPQKPI-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CCCCN(C[C@@H](C)[NH2+]CC)C1CC1 43968151 573874211 /nfs/dbraw/zinc/87/42/11/573874211.db2.gz XCUPAZZJEZMONG-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH2+][C@@H](C)C(C)C 716314066 573874247 /nfs/dbraw/zinc/87/42/47/573874247.db2.gz PTCONKXMJWUMEX-QWRGUYRKSA-N 2 0 186.343 2.009 10 0 AEAERP CC[C@@H]([NH2+]C)[C@H](C)N(CC)C(C)C 43824055 573874273 /nfs/dbraw/zinc/87/42/73/573874273.db2.gz UNPBBSMHXQPPDQ-WDEREUQCSA-N 2 0 186.343 2.103 10 0 AEAERP CCCN(CCC)[C@H](C)[C@@H](C)[NH2+]C 43814750 573874311 /nfs/dbraw/zinc/87/43/11/573874311.db2.gz WNYMGQGEBWWHPZ-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CCCN(CC)[C@H](C)[C@@H](CC)[NH2+]C 43884336 573874617 /nfs/dbraw/zinc/87/46/17/573874617.db2.gz APNOPHDOMLIZPL-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@@H](CC)[C@H](C)N(C)CC1CC1 43905844 573874656 /nfs/dbraw/zinc/87/46/56/573874656.db2.gz XQXDRXZDMOAJQB-JQWIXIFHSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCN(C)[C@@H]1CCCC[C@@H]1[NH2+]C 43816813 573874848 /nfs/dbraw/zinc/87/48/48/573874848.db2.gz OTLSKQCXVWWJQJ-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCCC[NH2+]1 127391130 573874856 /nfs/dbraw/zinc/87/48/56/573874856.db2.gz NKFNOKZXZMIGIT-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CCCCN(C)C[C@@H](C)[NH2+]CCC 43817119 573874864 /nfs/dbraw/zinc/87/48/64/573874864.db2.gz ARIKDDUQOOFYHV-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCCN(C)[C@@H]1CCCCC[C@@H]1[NH2+]C 43885828 573875022 /nfs/dbraw/zinc/87/50/22/573875022.db2.gz QURSMNRSBDPDDW-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCCCN(C)[C@@H](C)[C@@H](C)[NH2+]CC 43817067 573875083 /nfs/dbraw/zinc/87/50/83/573875083.db2.gz KCALGXMSDVXOSQ-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CCCN(C)[C@H](C)[C@@H](CC)[NH2+]CC 43886076 573875183 /nfs/dbraw/zinc/87/51/83/573875183.db2.gz MWTLFAKUZLWPIR-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH+]1CCC(CC(C)(C)C[NH3+])CC1 259575769 573875330 /nfs/dbraw/zinc/87/53/30/573875330.db2.gz YDPWBXCVYSXYHQ-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[NH2+][C@H](C)CC[NH2+][C@@H](C)C(C)C 716314059 573875331 /nfs/dbraw/zinc/87/53/31/573875331.db2.gz PTCONKXMJWUMEX-MNOVXSKESA-N 2 0 186.343 2.009 10 0 AEAERP CC(C)([NH3+])CC[C@H]([NH3+])c1ccccc1 259218573 573879342 /nfs/dbraw/zinc/87/93/42/573879342.db2.gz GUGCYVPZTZVBFK-NSHDSACASA-N 2 0 192.306 2.204 10 0 AEAERP C[NH2+]CC(C)(C)[NH2+]C1CCCCCC1 258981002 573880511 /nfs/dbraw/zinc/88/05/11/573880511.db2.gz ONAHQJKVLDEYQA-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)CC[N@@H+]1C[C@@H](C[NH3+])CC1(C)C 259222465 573893275 /nfs/dbraw/zinc/89/32/75/573893275.db2.gz CZUCETSYIDSHPZ-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)C[NH+]1CCCCCC1 716340171 573893585 /nfs/dbraw/zinc/89/35/85/573893585.db2.gz CHPKROYUUFCOQV-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1C 716349236 573895985 /nfs/dbraw/zinc/89/59/85/573895985.db2.gz GKVXBZXSVWEXEN-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C)C[NH2+][C@H](C)CC(C)C 716347530 573896107 /nfs/dbraw/zinc/89/61/07/573896107.db2.gz ACDUMMNRHJLFPT-MNOVXSKESA-N 2 0 186.343 2.009 10 0 AEAERP CC[NH2+][C@@H](C)C[NH2+][C@@H](C)CC(C)C 716347551 573898044 /nfs/dbraw/zinc/89/80/44/573898044.db2.gz ACDUMMNRHJLFPT-QWRGUYRKSA-N 2 0 186.343 2.009 10 0 AEAERP C[N@H+](CC[C@@H]1CCCC[NH2+]1)C1CCC1 127456395 573901984 /nfs/dbraw/zinc/90/19/84/573901984.db2.gz KHFCUOVOIKMFRI-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CCC[NH2+][C@H](C)C[NH2+][C@@H](C)C(C)C 716360179 573902000 /nfs/dbraw/zinc/90/20/00/573902000.db2.gz QOWVBSSKXAWHSC-MNOVXSKESA-N 2 0 186.343 2.009 10 0 AEAERP C[N@H+](CCC[C@H]1CCC[NH2+]1)C1CCC1 127455246 573902004 /nfs/dbraw/zinc/90/20/04/573902004.db2.gz FWBJIYVITJLDGD-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[NH2+]C[C@@H](C)[NH2+]CC(C)(C)C 127447831 573902086 /nfs/dbraw/zinc/90/20/86/573902086.db2.gz PLHXMUJHZPMEJE-SNVBAGLBSA-N 2 0 186.343 2.010 10 0 AEAERP C[N@H+](CCC[C@@H]1CCC[NH2+]1)C1CCC1 127454999 573902176 /nfs/dbraw/zinc/90/21/76/573902176.db2.gz FWBJIYVITJLDGD-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)(C)[N@@H+]1CCC[C@@H](C[NH3+])C1(C)C 259231187 573904362 /nfs/dbraw/zinc/90/43/62/573904362.db2.gz DINRTAYEXAQTIT-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 259225278 573904684 /nfs/dbraw/zinc/90/46/84/573904684.db2.gz XVFYDTQVJMMEFE-NEPJUHHUSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[NH2+][C@@H](C)C[NH2+][C@H](C)C(C)C 716360181 573904709 /nfs/dbraw/zinc/90/47/09/573904709.db2.gz QOWVBSSKXAWHSC-WDEREUQCSA-N 2 0 186.343 2.009 10 0 AEAERP CCC[NH2+][C@@H](C)C[NH2+][C@@H](C)C(C)C 716360180 573904851 /nfs/dbraw/zinc/90/48/51/573904851.db2.gz QOWVBSSKXAWHSC-QWRGUYRKSA-N 2 0 186.343 2.009 10 0 AEAERP CCCCCC[N@H+](C)C[C@H](C)C[NH3+] 44413467 573906062 /nfs/dbraw/zinc/90/60/62/573906062.db2.gz HMHXITNIJVIKON-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCCCCC[N@H+](C)C[C@@H](C)C[NH3+] 44413465 573906122 /nfs/dbraw/zinc/90/61/22/573906122.db2.gz HMHXITNIJVIKON-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@@H]1CCCC[N@@H+]1[C@@H](C)CC[NH3+] 213033012 573906147 /nfs/dbraw/zinc/90/61/47/573906147.db2.gz UMVMJCUZIBZOAW-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H]1CCCC[N@@H+]1[C@@H](C)CC[NH3+] 213033072 573906368 /nfs/dbraw/zinc/90/63/68/573906368.db2.gz UMVMJCUZIBZOAW-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP [NH3+][C@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 259228620 573908560 /nfs/dbraw/zinc/90/85/60/573908560.db2.gz XVFYDTQVJMMEFE-RYUDHWBXSA-N 2 0 196.338 2.036 10 0 AEAERP CCC(C)(C)[C@H]1CC[C@H](C[NH3+])[C@@H]([NH3+])C1 224325907 573911250 /nfs/dbraw/zinc/91/12/50/573911250.db2.gz BVHHILFVHFRKRB-VWYCJHECSA-N 2 0 198.354 2.125 10 0 AEAERP C[N@H+](CC(C)(C)CC[NH3+])C1CCCC1 259002071 573912794 /nfs/dbraw/zinc/91/27/94/573912794.db2.gz WUTOLKVATGNRHW-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH+](C)[C@H](CC(C)(C)C[NH3+])C1CCC1 259236851 573916459 /nfs/dbraw/zinc/91/64/59/573916459.db2.gz BBKPTIGLMBCMBP-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC[C@@H]1CCC[NH2+]1)C(C)C 42171997 573916745 /nfs/dbraw/zinc/91/67/45/573916745.db2.gz XCSPOGTUUGUEBG-LBPRGKRZSA-N 2 0 198.354 2.249 10 0 AEAERP [NH3+][C@@H]1CC[C@@H]([NH2+]CCCCC2CC2)C1 716399912 573916996 /nfs/dbraw/zinc/91/69/96/573916996.db2.gz VVODQCUXPFISPX-VXGBXAGGSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+][C@H]1CC[C@@H]([NH2+]CCCCC2CC2)C1 716399906 573917029 /nfs/dbraw/zinc/91/70/29/573917029.db2.gz VVODQCUXPFISPX-NWDGAFQWSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H](C)[N@H+](CC)CC[C@@H]1CCC[NH2+]1 42172023 573917331 /nfs/dbraw/zinc/91/73/31/573917331.db2.gz BNOVHMVWUWEXLQ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[N@H+](CC(C)(C)C(C)(C)[NH3+])C1CCC1 127566978 573916423 /nfs/dbraw/zinc/91/64/23/573916423.db2.gz DRSNSDUOJPYFKA-UHFFFAOYSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[N@H+](C)CC[C@@H]1CCC[NH2+]1 42172096 573916427 /nfs/dbraw/zinc/91/64/27/573916427.db2.gz PTAIAWMRZSEKDY-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](CC[C@H]1CCC[NH2+]1)C1CC1 42172003 573918478 /nfs/dbraw/zinc/91/84/78/573918478.db2.gz KMLREOMRISRPQI-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H](CC)[N@H+](C)CCC[NH2+]C 233283750 573918843 /nfs/dbraw/zinc/91/88/43/573918843.db2.gz XGILRKZJXRSBPP-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCCC[N@H+](CC)CC[C@@H]1CCC[NH2+]1 42171844 573918965 /nfs/dbraw/zinc/91/89/65/573918965.db2.gz ZCYSSRUHLFLTEI-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]1 42172094 573921074 /nfs/dbraw/zinc/92/10/74/573921074.db2.gz PBDZVNXFZJWRTM-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[N@H+](C)CC[C@H]1CCC[NH2+]1 42172028 573921125 /nfs/dbraw/zinc/92/11/25/573921125.db2.gz QOKCPSDBWYGRKB-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[N@H+](CC[C@@H]1CCC[NH2+]1)C1CC1 42172001 573920408 /nfs/dbraw/zinc/92/04/08/573920408.db2.gz KMLREOMRISRPQI-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@H](C)C[N@H+](C)CC[C@@H]1CCC[NH2+]1 42172032 573920878 /nfs/dbraw/zinc/92/08/78/573920878.db2.gz HOVCSXFATLGAFG-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH+](CCC)CC[C@H]1CCC[NH2+]1 42171773 573920902 /nfs/dbraw/zinc/92/09/02/573920902.db2.gz SXZDBEMOYZRHRJ-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP C[N@H+](CCC(C)(C)C[NH3+])C(C)(C)C 259008678 573926405 /nfs/dbraw/zinc/92/64/05/573926405.db2.gz XLMHHERTBNMRNT-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]CC1CCCCC1 259012705 573923533 /nfs/dbraw/zinc/92/35/33/573923533.db2.gz XTKNTRWPFOCNCF-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[N@@H+]1CCC[C@@H]1C/C=C\CC[NH2+]C 258182852 573930014 /nfs/dbraw/zinc/93/00/14/573930014.db2.gz MDUKUZHKZVXNJR-RXNFCKPNSA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 81065305 573930114 /nfs/dbraw/zinc/93/01/14/573930114.db2.gz WJKICUVOQCDSGM-IJLUTSLNSA-N 2 0 198.354 2.090 10 0 AEAERP CC[N@@H+]1CCC[C@H]1C/C=C\CC[NH2+]C 258182851 573930244 /nfs/dbraw/zinc/93/02/44/573930244.db2.gz MDUKUZHKZVXNJR-QMAVJUDZSA-N 2 0 196.338 2.027 10 0 AEAERP CCCC1C[NH+](CC[C@@H](C)[NH2+]CC)C1 716421630 573930388 /nfs/dbraw/zinc/93/03/88/573930388.db2.gz ZGUDIMADFISPBT-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 81065316 573930544 /nfs/dbraw/zinc/93/05/44/573930544.db2.gz WJKICUVOQCDSGM-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H](C[NH3+])C[N@H+](C)CC1CCCCC1 42317927 573936776 /nfs/dbraw/zinc/93/67/76/573936776.db2.gz WGWDIBAOQNPXHX-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H]([NH3+])CC[C@@H]([NH3+])C1CCCCC1 259244095 573936900 /nfs/dbraw/zinc/93/69/00/573936900.db2.gz HVWFZXJAFRXCQN-GXSJLCMTSA-N 2 0 184.327 2.021 10 0 AEAERP Cc1ccsc1[C@H]([NH3+])[C@@H](C)CC[NH3+] 259244007 573937227 /nfs/dbraw/zinc/93/72/27/573937227.db2.gz HUSDBZGBNODZHD-IONNQARKSA-N 2 0 198.335 2.041 10 0 AEAERP CC[C@@H]([NH3+])CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 127768150 573937241 /nfs/dbraw/zinc/93/72/41/573937241.db2.gz IUSQACGNDRGTGH-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1[C@@H](C)CCC[C@H]1C 127770720 573938294 /nfs/dbraw/zinc/93/82/94/573938294.db2.gz NGPCBGWVFUXGML-TUAOUCFPSA-N 2 0 198.354 2.377 10 0 AEAERP CC[NH2+][C@@H](CN1CCCCC1)C(C)C 87527777 573938348 /nfs/dbraw/zinc/93/83/48/573938348.db2.gz HJILLBIUTCMFKL-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH+](CCC)CC[C@H]([NH3+])CC 127761965 573938395 /nfs/dbraw/zinc/93/83/95/573938395.db2.gz SIVFOVQYKMUXPJ-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCC(CC)N(C)[C@@H]1C[NH2+]C(C)(C)C1 131782082 573938573 /nfs/dbraw/zinc/93/85/73/573938573.db2.gz IKMAAOOAMBRGKX-NSHDSACASA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]([NH3+])CC[N@H+](C)C1CCCCC1 127765469 573938697 /nfs/dbraw/zinc/93/86/97/573938697.db2.gz YEYMUGIDUJGNSV-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+]1CCC1 308468530 573940407 /nfs/dbraw/zinc/94/04/07/573940407.db2.gz AUWBKPYBBYPSBB-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP Cc1ccsc1[C@H]([NH3+])[C@H](C)CC[NH3+] 259244009 573939763 /nfs/dbraw/zinc/93/97/63/573939763.db2.gz HUSDBZGBNODZHD-VXNVDRBHSA-N 2 0 198.335 2.041 10 0 AEAERP CCC[NH2+]CCC[N@H+](C)[C@H](C)CC 42409504 573939876 /nfs/dbraw/zinc/93/98/76/573939876.db2.gz UFFFMVCGXDNONL-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCCC[N@H+](CC)CC[C@@H]([NH3+])CC 127764679 573940113 /nfs/dbraw/zinc/94/01/13/573940113.db2.gz RDJZFTVHNMDVTO-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCC[NH2+]CCC[N@H+](CC)CCC 42409508 573940166 /nfs/dbraw/zinc/94/01/66/573940166.db2.gz OYALCQOQSJIMNW-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CC(C)(CC[NH3+])C[NH2+]C1(C)CCCC1 308468931 573940173 /nfs/dbraw/zinc/94/01/73/573940173.db2.gz IOMKNEVEWALTKU-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CCCCC[N@H+](C)CC[C@@H]([NH3+])CC 127782450 573942048 /nfs/dbraw/zinc/94/20/48/573942048.db2.gz KTZDYCZKZDLRFF-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@@H]([NH3+])CC[N@@H+]1CCCC[C@H]1CC 127777354 573942082 /nfs/dbraw/zinc/94/20/82/573942082.db2.gz BVZPNYYHPDANFO-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]([NH3+])CC[N@H+](CC)[C@H](C)CC 127781671 573942193 /nfs/dbraw/zinc/94/21/93/573942193.db2.gz RNXJMDPXYBVIAP-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[N@H+](CC[C@H]([NH3+])CC)C(C)C 127778837 573942314 /nfs/dbraw/zinc/94/23/14/573942314.db2.gz ICAZSCDWPCTONQ-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]CCC1(C)CCCC1 308470697 573942341 /nfs/dbraw/zinc/94/23/41/573942341.db2.gz BLIHZATUKGYILK-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[N@H+](CCC[NH2+]CC)C(C)C 42409484 573942429 /nfs/dbraw/zinc/94/24/29/573942429.db2.gz JMPLOAVMXVMHQN-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+]CCC[N@@H+]1CCC[C@H](C)C1 42409218 573942530 /nfs/dbraw/zinc/94/25/30/573942530.db2.gz VESCFJYVCNYSLT-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@H]([NH3+])CC[N@H+](CC)CC(C)C 127781140 573942536 /nfs/dbraw/zinc/94/25/36/573942536.db2.gz LMJTURKHKHWOLD-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H]1CCCC[N@H+]1CC[C@H]([NH3+])CC 127777583 573943522 /nfs/dbraw/zinc/94/35/22/573943522.db2.gz BVZPNYYHPDANFO-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[NH2+]CCC[N@H+](CCC)C1CC1 42409513 573942972 /nfs/dbraw/zinc/94/29/72/573942972.db2.gz IDOCWDCLCMBYLE-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H](C)[NH2+][C@H](C)CCC[NH+](C)C 308469823 573943055 /nfs/dbraw/zinc/94/30/55/573943055.db2.gz KBERHQDVZVVNSQ-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@@H](C)[NH2+][C@@H](C)CCC[NH+](C)C 308469824 573943063 /nfs/dbraw/zinc/94/30/63/573943063.db2.gz KBERHQDVZVVNSQ-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+]CCC[NH+]1[C@@H](C)CCC[C@@H]1C 42409327 573943067 /nfs/dbraw/zinc/94/30/67/573943067.db2.gz VIWVJCAYGZKOFR-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+]CCC[N@H+](C)[C@@H](C)CC 42409503 573943099 /nfs/dbraw/zinc/94/30/99/573943099.db2.gz UFFFMVCGXDNONL-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+]CCC[N@H+](C)C1CCCC1 42409489 573943220 /nfs/dbraw/zinc/94/32/20/573943220.db2.gz AGYAAMNTQXDZAC-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@H]1CCC[C@@H]1C[NH3+] 45068284 573943260 /nfs/dbraw/zinc/94/32/60/573943260.db2.gz QNZYYVIRHRLLFG-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[N@H+](C)CCC[NH2+]CC 42409533 573943286 /nfs/dbraw/zinc/94/32/86/573943286.db2.gz HLRXKDRLILBHQG-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CCC1(C)CCCC1 308470690 573943293 /nfs/dbraw/zinc/94/32/93/573943293.db2.gz BLIHZATUKGYILK-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[NH2+]CC[NH2+]C1(C)CCCCC1 45047203 573943316 /nfs/dbraw/zinc/94/33/16/573943316.db2.gz VAFNYDWZAKBXDF-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]CCC1(C)CCCC1 308470694 573943349 /nfs/dbraw/zinc/94/33/49/573943349.db2.gz BLIHZATUKGYILK-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[NH2+]CCC[NH+]1CCCCCC1 42409222 573943435 /nfs/dbraw/zinc/94/34/35/573943435.db2.gz NTIMZEZXOGUXTM-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP CC[C@@H]([NH3+])CC[N@H+](CC)C1CCCC1 127786286 573945132 /nfs/dbraw/zinc/94/51/32/573945132.db2.gz AWKOZHUTHLMCRR-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC1([NH2+]CCCC[NH3+])CCCCC1 45047226 573944500 /nfs/dbraw/zinc/94/45/00/573944500.db2.gz BPPKEUDMTDEDTC-UHFFFAOYSA-N 2 0 184.327 2.038 10 0 AEAERP CC[C@H]([NH3+])CC[N@H+](CC)C1CCCC1 127786070 573944531 /nfs/dbraw/zinc/94/45/31/573944531.db2.gz AWKOZHUTHLMCRR-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP C[N@H+](CCCCC[NH3+])CC(C)(C)C 45068409 573944567 /nfs/dbraw/zinc/94/45/67/573944567.db2.gz ZMFLBBPZECZPNP-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@H](C)[NH2+][C@H](C)CCC[NH+](C)C 308469826 573944677 /nfs/dbraw/zinc/94/46/77/573944677.db2.gz KBERHQDVZVVNSQ-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@@H]([NH3+])C[NH2+]C1(C)CCCCC1 45047272 573944869 /nfs/dbraw/zinc/94/48/69/573944869.db2.gz RAHVNNTZWGWUEV-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP C[N@H+](CCCCC(N)=[NH2+])CC(C)(C)C 45074256 573944886 /nfs/dbraw/zinc/94/48/86/573944886.db2.gz FVOVSIORIISDGQ-UHFFFAOYSA-N 2 0 199.342 2.071 10 0 AEAERP CC[C@H](C)[N@@H+](CC)CC[C@H]([NH3+])CC 127781927 573945006 /nfs/dbraw/zinc/94/50/06/573945006.db2.gz RNXJMDPXYBVIAP-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]([NH3+])C[NH2+]C1(C)CCCCC1 45047271 573945436 /nfs/dbraw/zinc/94/54/36/573945436.db2.gz RAHVNNTZWGWUEV-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CC(C)[C@@H]([NH3+])C[NH2+]C1(C)CCCCC1 45047263 573945576 /nfs/dbraw/zinc/94/55/76/573945576.db2.gz HTWWSQYMOUXZCN-NSHDSACASA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)([NH3+])CC[NH2+]C[C@@H]1CC=CCC1 308470025 573945599 /nfs/dbraw/zinc/94/55/99/573945599.db2.gz BHHJYHMMJJKPLV-LLVKDONJSA-N 2 0 196.338 2.060 10 0 AEAERP C[C@H]([NH2+]CCC1(C)CCCC1)[C@@H](C)[NH3+] 308470692 573945723 /nfs/dbraw/zinc/94/57/23/573945723.db2.gz BLIHZATUKGYILK-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](CC[NH3+])[N@H+](C)CC(C)(C)C 45068644 573946086 /nfs/dbraw/zinc/94/60/86/573946086.db2.gz CNXNACWOVJCPRN-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CC[N@@H+]1CCC[C@@H]1CCC1([NH3+])CCC1 258187338 573946945 /nfs/dbraw/zinc/94/69/45/573946945.db2.gz YJFUIJADWKHWNM-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CC[N@@H+]1CCC[C@H]1CCC1([NH3+])CCC1 258187341 573947001 /nfs/dbraw/zinc/94/70/01/573947001.db2.gz YJFUIJADWKHWNM-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CC[C@H](CC(N)=[NH2+])[N@H+](C)CC(C)(C)C 45074248 573947150 /nfs/dbraw/zinc/94/71/50/573947150.db2.gz ZCFWFNQWCPHBFG-SECBINFHSA-N 2 0 199.342 2.069 10 0 AEAERP C[C@H]([NH3+])CC[NH2+]C1(C)CCCCC1 45047273 573947199 /nfs/dbraw/zinc/94/71/99/573947199.db2.gz ADVGSNNUQMEWJW-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CC(C)(C)[C@H](C[NH3+])C[NH2+]C1CCCC1 258186851 573951068 /nfs/dbraw/zinc/95/10/68/573951068.db2.gz OTCXDAUXEXBNFR-SNVBAGLBSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH3+])C[C@@H](c1ccccc1)[NH+](C)C 259249323 573951118 /nfs/dbraw/zinc/95/11/18/573951118.db2.gz BJWADCZQARSKBM-JQWIXIFHSA-N 2 0 192.306 2.027 10 0 AEAERP [NH3+][C@H]1CC[C@H](C[NH2+]C2CCCCC2)C1 85014803 573951203 /nfs/dbraw/zinc/95/12/03/573951203.db2.gz LGWUWDDLSHJPST-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@H]([NH3+])C[C@H](c1ccccc1)[NH+](C)C 259249330 573951214 /nfs/dbraw/zinc/95/12/14/573951214.db2.gz BJWADCZQARSKBM-ZYHUDNBSSA-N 2 0 192.306 2.027 10 0 AEAERP CC1([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCCC1 85016211 573951498 /nfs/dbraw/zinc/95/14/98/573951498.db2.gz DJDKWBPGJNKIOP-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CCC1CC[NH+](C[C@H]([NH3+])C(C)C)CC1 42447414 573953250 /nfs/dbraw/zinc/95/32/50/573953250.db2.gz JTOAJXIFZCPLGU-LBPRGKRZSA-N 2 0 198.354 2.092 10 0 AEAERP Cc1ccc([C@H]([NH3+])CC(C)(C)[NH3+])cc1 259249201 573953502 /nfs/dbraw/zinc/95/35/02/573953502.db2.gz IAPMGEDAWIZWMO-LLVKDONJSA-N 2 0 192.306 2.122 10 0 AEAERP CC1([NH2+]C[C@@H]2CC[C@@H]([NH3+])C2)CCCC1 85016216 573953711 /nfs/dbraw/zinc/95/37/11/573953711.db2.gz DJDKWBPGJNKIOP-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP CCCCCCN(C)CC[NH2+]CC 45147327 573954473 /nfs/dbraw/zinc/95/44/73/573954473.db2.gz ASLHJCBUIAJVOF-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CC(C)[NH2+]CCCC[NH2+][C@@H]1CC1(C)C 45138002 573954649 /nfs/dbraw/zinc/95/46/49/573954649.db2.gz KIDXQQSWMVEUIP-LLVKDONJSA-N 2 0 198.354 2.153 10 0 AEAERP CCC1CC[NH+]([C@@H](CC)CC[NH3+])CC1 42446227 573954695 /nfs/dbraw/zinc/95/46/95/573954695.db2.gz FYTDTWWZTREWJX-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH2+]C[C@H](C)C[N@H+](C)C1CCC1 127708428 573954723 /nfs/dbraw/zinc/95/47/23/573954723.db2.gz VXEBMEJNEKXUTN-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[N@H+](CC)C[C@H](C)C[NH3+] 42442933 573955075 /nfs/dbraw/zinc/95/50/75/573955075.db2.gz ZHTYVAHPKQCXCP-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCC1CC[NH+]([C@H](CC)CC[NH3+])CC1 42446229 573955124 /nfs/dbraw/zinc/95/51/24/573955124.db2.gz FYTDTWWZTREWJX-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH2+]CCCC[NH2+][C@H]1CC1(C)C 45138005 573957479 /nfs/dbraw/zinc/95/74/79/573957479.db2.gz KIDXQQSWMVEUIP-NSHDSACASA-N 2 0 198.354 2.153 10 0 AEAERP CC1(C)C[C@H]1[NH2+]CCCCCCC[NH3+] 45137753 573957765 /nfs/dbraw/zinc/95/77/65/573957765.db2.gz IWUQCUKCIOMKME-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC1(C)C 308471754 573957796 /nfs/dbraw/zinc/95/77/96/573957796.db2.gz BXQSMGDWJFOJMA-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]([NH3+])CC[NH2+]C1(C)CCCCC1 127860220 573957876 /nfs/dbraw/zinc/95/78/76/573957876.db2.gz DSURUHGFFUORHO-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP C[N@H+](CCCC[NH2+]C1CC1)C1CCC1 127887315 573957897 /nfs/dbraw/zinc/95/78/97/573957897.db2.gz WJPUZQLKCIXGFJ-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[C@H]([NH3+])C[NH2+][C@@H]1CCC1(C)C 308471745 573957950 /nfs/dbraw/zinc/95/79/50/573957950.db2.gz BXDYXQCVVAAVMH-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])CCCC[NH2+][C@@H]1CCC1(C)C 308471756 573958706 /nfs/dbraw/zinc/95/87/06/573958706.db2.gz BXQSMGDWJFOJMA-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]([NH3+])CC[N@H+](C)CC(C)(C)C 127860468 573958873 /nfs/dbraw/zinc/95/88/73/573958873.db2.gz AEKUTGLDVUJHGF-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[N@H+](C[C@H]([NH3+])C(C)C)C1CC1 42491314 573958888 /nfs/dbraw/zinc/95/88/88/573958888.db2.gz OZURPIBUOGFUIO-LBPRGKRZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]([NH3+])CC[NH2+]C1(C)CCCCC1 127859971 573959176 /nfs/dbraw/zinc/95/91/76/573959176.db2.gz DSURUHGFFUORHO-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CCC[N@H+](CCC[NH2+]CC)CC1CC1 42491038 573959321 /nfs/dbraw/zinc/95/93/21/573959321.db2.gz GRYGMPQQWRWTKV-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CC[C@H]([NH3+])CC 127791159 573962394 /nfs/dbraw/zinc/96/23/94/573962394.db2.gz NJFUJKVCOGMEDV-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CCC(CC)[N@@H+](C)CC[C@@H]([NH3+])CC 127790820 573962486 /nfs/dbraw/zinc/96/24/86/573962486.db2.gz MLPXHPLFJUXEPF-JTQLQIEISA-N 2 0 186.343 2.234 10 0 AEAERP CCCC[N@@H+]1CCC[C@H](CC[NH2+]C)C1 259252717 573962662 /nfs/dbraw/zinc/96/26/62/573962662.db2.gz QQDOIYCSXLDFLU-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]C[C@H](CC)[N@@H+]1CC[C@@H](CC)C1 127788792 573962729 /nfs/dbraw/zinc/96/27/29/573962729.db2.gz VTKVSGCHPBPJKR-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]([NH3+])CC[NH2+]C1CCCCCC1 127799814 573967834 /nfs/dbraw/zinc/96/78/34/573967834.db2.gz NYRNGOUFNOCVSY-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@@H]([NH3+])CC[NH2+]C1CCCCC1 127800730 573967906 /nfs/dbraw/zinc/96/79/06/573967906.db2.gz GRZNSIOSQCQNCW-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP CC[C@H]([NH3+])CC[NH2+]C1CCCCC1 127800527 573969421 /nfs/dbraw/zinc/96/94/21/573969421.db2.gz GRZNSIOSQCQNCW-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CCCC(C)(C)C[NH2+]C[C@H]1CC[NH2+]C1 259029257 573969668 /nfs/dbraw/zinc/96/96/68/573969668.db2.gz ZLHUCMUHEZCTIQ-NSHDSACASA-N 2 0 198.354 2.012 10 0 AEAERP CC(C)C[N@H+](CCCCC[NH3+])C1CC1 42554699 573969901 /nfs/dbraw/zinc/96/99/01/573969901.db2.gz SXZDYGQEUIKJHZ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@@H]([NH2+]C)CC1(C)C 259254992 573972350 /nfs/dbraw/zinc/97/23/50/573972350.db2.gz FHPWAXJADZOUJJ-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@H]([NH2+]C)C1CCC([NH2+]C)CC1 259253394 573975787 /nfs/dbraw/zinc/97/57/87/573975787.db2.gz HHNSDBFIKWLVHA-MCIGGMRASA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)[C@@H](C)CC(N)=[NH2+] 42584087 573976236 /nfs/dbraw/zinc/97/62/36/573976236.db2.gz IWVHFUVBMUBOKW-UWVGGRQHSA-N 2 0 199.342 2.067 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)CCCC[NH3+] 42562706 573978296 /nfs/dbraw/zinc/97/82/96/573978296.db2.gz KKUVTZLNPPOZJC-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP C[N@@H+]1CCC[C@@H](CC(C)(C)CC[NH3+])C1 259256784 573979617 /nfs/dbraw/zinc/97/96/17/573979617.db2.gz XBKOMJLRQJFTIW-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C)CC(N)=[NH2+] 42584084 573979713 /nfs/dbraw/zinc/97/97/13/573979713.db2.gz IWVHFUVBMUBOKW-ZJUUUORDSA-N 2 0 199.342 2.067 10 0 AEAERP CCCC[N@H+](CC[C@H]([NH3+])CC)C1CC1 127826607 573979726 /nfs/dbraw/zinc/97/97/26/573979726.db2.gz WTLBTHLUXSGIHS-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]C1CCC([NH2+]CCC(C)C)CC1 259257379 573983552 /nfs/dbraw/zinc/98/35/52/573983552.db2.gz MTJIKPCIUFAASH-UHFFFAOYSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@@H](C)[N@H+](C)CC[C@@H](C)[NH3+] 42580825 573983660 /nfs/dbraw/zinc/98/36/60/573983660.db2.gz IJSVWIOQQPDXHD-GHMZBOCLSA-N 2 0 186.343 2.090 10 0 AEAERP C[NH2+][C@H](C[C@@H]1CCC[NH2+]C1)C(C)(C)C 259589487 573983812 /nfs/dbraw/zinc/98/38/12/573983812.db2.gz XRXHUJLKKPVHNN-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+][C@H](C)CCCC[N@@H+]1CCC[C@@H]1C 45600802 573986541 /nfs/dbraw/zinc/98/65/41/573986541.db2.gz AUNDKSNORTXAHJ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@@H](C)CC[NH3+] 42563128 573986192 /nfs/dbraw/zinc/98/61/92/573986192.db2.gz KEORSSMOMOVXNR-NSHDSACASA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)C[N@H+](CCC[C@@H](C)[NH3+])C1CC1 45602808 573986240 /nfs/dbraw/zinc/98/62/40/573986240.db2.gz KVAQHEZHJLXGED-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+][C@H](C)CCC[N@H+](CC)C1CC1 45599348 573986270 /nfs/dbraw/zinc/98/62/70/573986270.db2.gz JNGBDFUIJFGVHL-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](C)CCC[N@@H+]1CCC[C@@H]1C 45600820 573986376 /nfs/dbraw/zinc/98/63/76/573986376.db2.gz KEBCLULARBYQSB-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](CCC[C@H](C)[NH3+])CC(C)C 45599652 573986394 /nfs/dbraw/zinc/98/63/94/573986394.db2.gz SEHDXTOSHLJLLV-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[NH2+][C@H](C)CCCC[N@H+](C)C1CC1 45599368 573986402 /nfs/dbraw/zinc/98/64/02/573986402.db2.gz OXQBTNASIBCWGD-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[N@H+](C)CCCC[C@@H](C)[NH3+] 45599587 573986408 /nfs/dbraw/zinc/98/64/08/573986408.db2.gz ZGENZBSGXKFPPK-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@H+](C)CCC[C@H](C)[NH2+]CC 45599581 573986426 /nfs/dbraw/zinc/98/64/26/573986426.db2.gz VRVGENKOTWPAQM-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+][C@@H](C)CCC[N@H+](C)CC 45599319 573986433 /nfs/dbraw/zinc/98/64/33/573986433.db2.gz COMOUENZKXFLDY-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH2+][C@@H](C)CCCC[N@H+](C)CC 45599305 573986459 /nfs/dbraw/zinc/98/64/59/573986459.db2.gz KCCKFSBJUCWPNT-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+][C@H](C)CCC[NH+]1CCCC1 45598607 573986489 /nfs/dbraw/zinc/98/64/89/573986489.db2.gz GUGGMKKDGAHORG-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCC1CC[NH+](CCC[C@@H](C)[NH3+])CC1 45601468 573986496 /nfs/dbraw/zinc/98/64/96/573986496.db2.gz WSDMRKNQMUYRBZ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]([NH3+])CCCC[N@H+](C)C1CCCC1 45599447 573986517 /nfs/dbraw/zinc/98/65/17/573986517.db2.gz MYSKZNLNGXAKAS-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H]1CCC[C@@H](C)[N@@H+]1CCC[C@@H](C)[NH3+] 45598871 573987116 /nfs/dbraw/zinc/98/71/16/573987116.db2.gz GTTYLEUYNRVCGA-UTUOFQBUSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[N@H+](CC)CCCC[C@H](C)[NH3+] 45599477 573987225 /nfs/dbraw/zinc/98/72/25/573987225.db2.gz HRIAXKWEAWVNDS-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]([NH+](C)C)C1 131795728 573987299 /nfs/dbraw/zinc/98/72/99/573987299.db2.gz LBQXABAZOBDIDC-TUAOUCFPSA-N 2 0 198.354 2.103 10 0 AEAERP C[C@H]([NH3+])CCC[NH+]1CCCCCCC1 45599212 573987325 /nfs/dbraw/zinc/98/73/25/573987325.db2.gz NLPCUNMFGBIMHE-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CCC[C@@H](C)[NH3+] 45599735 573987394 /nfs/dbraw/zinc/98/73/94/573987394.db2.gz HYNQTHNSOZYQCA-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H]1CCC[C@H](C)[NH+]1CCC[C@@H](C)[NH3+] 45598872 573987448 /nfs/dbraw/zinc/98/74/48/573987448.db2.gz GTTYLEUYNRVCGA-WOPDTQHZSA-N 2 0 198.354 2.377 10 0 AEAERP CC[N@H+](CCC[C@H](C)[NH3+])C1CCCC1 45599825 573987452 /nfs/dbraw/zinc/98/74/52/573987452.db2.gz XYINDTQDBSOCAC-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@H+](CC)CCC[C@@H](C)[NH2+]C 45599492 573987462 /nfs/dbraw/zinc/98/74/62/573987462.db2.gz HOAVELWSXAYQQS-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCCCC[N@H+](C)CCC[C@@H](C)[NH3+] 45599707 573987552 /nfs/dbraw/zinc/98/75/52/573987552.db2.gz RUKUFQNLJXHRPI-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CC[N@H+](CCCC[C@@H](C)[NH2+]C)C1CC1 45599330 573987565 /nfs/dbraw/zinc/98/75/65/573987565.db2.gz WSEFIUURVAWHDB-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CCC[C@@H](C)[NH3+] 45600162 573987623 /nfs/dbraw/zinc/98/76/23/573987623.db2.gz SARLYPPZMUOLTO-GHMZBOCLSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@H](C)[N@H+](C)CCC[C@@H](C)[NH2+]C 45599640 573989509 /nfs/dbraw/zinc/98/95/09/573989509.db2.gz PEEIKJMKYIABHY-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CCCC(C)(C)C[NH2+]CC1(C[NH3+])CC1 259032548 573989510 /nfs/dbraw/zinc/98/95/10/573989510.db2.gz ZRTLGSBSQYEDCT-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CCC[N@H+](CCC[C@H](C)[NH3+])CC1CC1 45602043 573989525 /nfs/dbraw/zinc/98/95/25/573989525.db2.gz CNSMAZZKJFIKNY-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH2+][C@H](C)CCCC[NH+](C)C 45598921 573989541 /nfs/dbraw/zinc/98/95/41/573989541.db2.gz QIGZKTVLFQLYEN-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+][C@@H](C)CCC[N@H+](C)C1CC1 45599382 573989544 /nfs/dbraw/zinc/98/95/44/573989544.db2.gz JAFIUIBVHBDVFN-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]([NH3+])CCC[N@H+](C)C1CCCCC1 45598838 573989559 /nfs/dbraw/zinc/98/95/59/573989559.db2.gz XRSKOLYCWUIWPE-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CCC[C@@H](C)[NH3+])CC(C)C 45599650 573989566 /nfs/dbraw/zinc/98/95/66/573989566.db2.gz SEHDXTOSHLJLLV-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)CC[N@H+](C)CCC[C@@H](C)[NH3+] 45601589 573989600 /nfs/dbraw/zinc/98/96/00/573989600.db2.gz KZUFEOSQEMTEDH-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CCC[C@@H](C)[NH3+] 45600254 573989623 /nfs/dbraw/zinc/98/96/23/573989623.db2.gz PMIFDOJTRVIYEH-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC[C@@H](C)[NH2+]C 45599638 573989631 /nfs/dbraw/zinc/98/96/31/573989631.db2.gz PEEIKJMKYIABHY-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[C@H](C)[N@H+](C)CCC[C@@H](C)[NH3+] 45600256 573989635 /nfs/dbraw/zinc/98/96/35/573989635.db2.gz PMIFDOJTRVIYEH-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CCCC[C@@H](C)[NH3+] 45600833 573989640 /nfs/dbraw/zinc/98/96/40/573989640.db2.gz ZTQWPEVINZGKHO-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)CC[N@@H+]1CCC[NH2+]CC[C@H]1C 259260492 573989685 /nfs/dbraw/zinc/98/96/85/573989685.db2.gz FPVKBZMYYAHHIH-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CCC[C@@H](C)[NH3+] 45600165 573989036 /nfs/dbraw/zinc/98/90/36/573989036.db2.gz SARLYPPZMUOLTO-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP C[C@@H](C1CC1)[N@@H+](C)CCCC[C@@H](C)[NH3+] 45600116 573989067 /nfs/dbraw/zinc/98/90/67/573989067.db2.gz LKWRPHSXWFLPRK-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](CC)CCCC[C@@H](C)[NH3+] 45599475 573989104 /nfs/dbraw/zinc/98/91/04/573989104.db2.gz HRIAXKWEAWVNDS-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@H](C)[N@H+](C)CCCC[C@@H](C)[NH3+] 45599620 573989151 /nfs/dbraw/zinc/98/91/51/573989151.db2.gz NNNOEPLZOHPQGI-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CCC[C@@H](C)[NH2+]C 45600862 573989238 /nfs/dbraw/zinc/98/92/38/573989238.db2.gz IOFHPLDBEHSFNG-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)CCCC[N@H+](C)CC1CC1 45600890 573989315 /nfs/dbraw/zinc/98/93/15/573989315.db2.gz UENDNBDOXVACSH-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](CCC[C@H](C)[NH3+])C1CC1 45602170 573989342 /nfs/dbraw/zinc/98/93/42/573989342.db2.gz BLLWJMYALGQCCV-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@H+](CCC[C@@H](C)[NH3+])C(C)C 45599508 573989408 /nfs/dbraw/zinc/98/94/08/573989408.db2.gz LJXXTVVOBRTLJL-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CCCC[N@H+](CC)CCC[C@H](C)[NH3+] 45599055 573989462 /nfs/dbraw/zinc/98/94/62/573989462.db2.gz DEHPGUFSOYPGMV-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@H]1CCC[N@H+](CCC[C@@H](C)[NH3+])C1 45600303 573990086 /nfs/dbraw/zinc/99/00/86/573990086.db2.gz HANRWHZQEQLBDL-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1CCC[C@@H](C)[NH3+] 45599424 573990122 /nfs/dbraw/zinc/99/01/22/573990122.db2.gz JPLHUAJHEBLXJD-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@H+](CCC[C@@H](C)[NH2+]C)C1CC1 45599548 573990157 /nfs/dbraw/zinc/99/01/57/573990157.db2.gz BTBXPFBDAGISJB-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]([NH3+])CCC[N@H+](C)CC(C)(C)C 45603572 573990169 /nfs/dbraw/zinc/99/01/69/573990169.db2.gz PYAOWJYGRCXVHN-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CCc1nc(C)cn1[C@@H](CC)CC[NH3+] 715108782 573990220 /nfs/dbraw/zinc/99/02/20/573990220.db2.gz JHIZVKUICPNMBL-JTQLQIEISA-N 2 0 195.310 2.054 10 0 AEAERP C[C@H]([NH3+])CCC[N@H+](C)CC(C)(C)C 45603571 573990307 /nfs/dbraw/zinc/99/03/07/573990307.db2.gz PYAOWJYGRCXVHN-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC[NH2+][C@@H](C)CCC[N@H+](CC)C1CC1 45599346 573990310 /nfs/dbraw/zinc/99/03/10/573990310.db2.gz JNGBDFUIJFGVHL-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]([NH3+])CCC[NH+]1CCCCCCC1 45599213 573990359 /nfs/dbraw/zinc/99/03/59/573990359.db2.gz NLPCUNMFGBIMHE-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP CC[NH2+][C@@H](C)CCCC[N@H+](C)C1CC1 45599366 573990396 /nfs/dbraw/zinc/99/03/96/573990396.db2.gz OXQBTNASIBCWGD-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC1CC[NH+](CCC[C@H](C)[NH3+])CC1 45601471 573990424 /nfs/dbraw/zinc/99/04/24/573990424.db2.gz WSDMRKNQMUYRBZ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@H+](CCC[C@@H](C)[NH3+])CC1CC1 45602995 573990454 /nfs/dbraw/zinc/99/04/54/573990454.db2.gz JVCHZVGKMUUCLX-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[N@H+](C)CCC[C@@H](C)[NH3+] 45600206 573990463 /nfs/dbraw/zinc/99/04/63/573990463.db2.gz NXSKEYGUXJAFEM-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)CCCC(N)=[NH2+] 42584058 573990698 /nfs/dbraw/zinc/99/06/98/573990698.db2.gz WHBKWAWBPOPVSR-JTQLQIEISA-N 2 0 199.342 2.069 10 0 AEAERP C[C@H]([NH2+]CCCC[NH+](C)C)C1(C)CC1 45663852 573992581 /nfs/dbraw/zinc/99/25/81/573992581.db2.gz VNJSMABLRXUHLN-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCCCC[C@@H]1[NH2+]C1CC([NH3+])C1 87652090 573994021 /nfs/dbraw/zinc/99/40/21/573994021.db2.gz OKXVGKMYUAGAKQ-XKGSQUFQSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@@H]([NH3+])CC[N@@H+]1CCCCC[C@@H]1C 127904924 573994034 /nfs/dbraw/zinc/99/40/34/573994034.db2.gz UVJCOBHTYGVBGR-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1CCC[C@@H]1C(C)C 127919077 573994059 /nfs/dbraw/zinc/99/40/59/573994059.db2.gz WCBSTRHWBHNOCJ-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[NH2+]CCN(C)C1CCC1 127924664 573997601 /nfs/dbraw/zinc/99/76/01/573997601.db2.gz OOCVZGYLVGMQAK-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+]C[C@H](C)[C@H](C)[N@H+](C)C1CCC1 127912389 573993434 /nfs/dbraw/zinc/99/34/34/573993434.db2.gz RBGBNGCAWKEDEO-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC1(C)CCCC[C@@H]1[NH2+]C1CC([NH3+])C1 87652157 573993436 /nfs/dbraw/zinc/99/34/36/573993436.db2.gz PVOBPJOAEKKEQL-ILDUYXDCSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1C[C@H](C)CC[C@@H]1C 127918627 573993537 /nfs/dbraw/zinc/99/35/37/573993537.db2.gz LEZPNRFXNPRQBA-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP [NH3+]C1(CC[C@H]2CCC[NH2+]2)CCCCC1 258197080 573993581 /nfs/dbraw/zinc/99/35/81/573993581.db2.gz YYDCRWOGTWXGGV-LLVKDONJSA-N 2 0 196.338 2.180 10 0 AEAERP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC([NH3+])C1 87652089 573993626 /nfs/dbraw/zinc/99/36/26/573993626.db2.gz OKXVGKMYUAGAKQ-YYJSSNLHSA-N 2 0 196.338 2.035 10 0 AEAERP [NH3+]C1(CC[C@@H]2CCC[NH2+]2)CCCCC1 258197082 573993671 /nfs/dbraw/zinc/99/36/71/573993671.db2.gz YYDCRWOGTWXGGV-NSHDSACASA-N 2 0 196.338 2.180 10 0 AEAERP C[C@H]1CCCCC[C@H]1[NH2+]C1CC([NH3+])C1 87652092 573993911 /nfs/dbraw/zinc/99/39/11/573993911.db2.gz OKXVGKMYUAGAKQ-WNYYMSAVSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@@H]([NH3+])CC[N@@H+]1CCC[C@@H]1C(C)C 127919303 573995260 /nfs/dbraw/zinc/99/52/60/573995260.db2.gz WCBSTRHWBHNOCJ-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP [NH3+]C1CC([NH2+]C2CCCCCCC2)C1 87651090 573994594 /nfs/dbraw/zinc/99/45/94/573994594.db2.gz SGGJBJVERZWORS-UHFFFAOYSA-N 2 0 196.338 2.179 10 0 AEAERP CCC[NH2+]CCCC[N@H+](C)C(C)C 45665643 573994622 /nfs/dbraw/zinc/99/46/22/573994622.db2.gz MMMRESMLGJEFJW-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CC(C)[N@H+](C)CCCC[NH2+]C1CCC1 45684981 573994958 /nfs/dbraw/zinc/99/49/58/573994958.db2.gz DRDJKYOOPZAZTF-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[N@H+](C)CCCC[NH2+]CC1CC1 45666419 573994981 /nfs/dbraw/zinc/99/49/81/573994981.db2.gz WTVSQTIPZACPBW-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1CCCC(C)(C)C1 127903254 573995079 /nfs/dbraw/zinc/99/50/79/573995079.db2.gz UXAJZMLENPRVMG-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@H](C)N(C)C1CCC1 127930000 573997671 /nfs/dbraw/zinc/99/76/71/573997671.db2.gz SPRWAJZJHCMHTD-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[C@H](C)[NH2+]CCN(C)C1CCC1 127926166 573997735 /nfs/dbraw/zinc/99/77/35/573997735.db2.gz GZIIIGJEMMGBFQ-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C[C@@H](C)[C@@H](C)[N@H+](C)C1CCC1 127911711 573997906 /nfs/dbraw/zinc/99/79/06/573997906.db2.gz RBGBNGCAWKEDEO-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@H](CC)N(C)C1CCC1 127915265 573997956 /nfs/dbraw/zinc/99/79/56/573997956.db2.gz IPCALPOEAMRBQT-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H]1CC[C@@H](C)[N@H+](CC[C@@H](C)[NH3+])C1 715112848 573998242 /nfs/dbraw/zinc/99/82/42/573998242.db2.gz MDQPRIWLKWFYEI-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C)[NH2+]CCN(C)C1CCC1 127945510 573998285 /nfs/dbraw/zinc/99/82/85/573998285.db2.gz YHFVGEXYRFPBQP-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)([NH3+])CC[C@@H]([NH3+])C1CCCC1 259265521 573998288 /nfs/dbraw/zinc/99/82/88/573998288.db2.gz IQTKYGWCTALTGC-SNVBAGLBSA-N 2 0 184.327 2.021 10 0 AEAERP C[NH2+]CC[C@@H](CC(C)C)[NH+]1CCCC1 82291906 574000334 /nfs/dbraw/zinc/00/03/34/574000334.db2.gz LWELNCQEPNMTDX-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C1CCC([C@H]([NH2+]C)C(C)C)CC1 259263160 574000425 /nfs/dbraw/zinc/00/04/25/574000425.db2.gz HQUPVQJZTFZAAF-HTAVTVPLSA-N 2 0 198.354 2.009 10 0 AEAERP CCC[C@H](CC[NH2+]C)[NH+]1CCCCC1 82291909 574000562 /nfs/dbraw/zinc/00/05/62/574000562.db2.gz DZPJPVZTIVGZIA-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP C[N@@H+](C1CCCCCC1)C1CC([NH3+])C1 87653274 574002616 /nfs/dbraw/zinc/00/26/16/574002616.db2.gz DHAYNKCVHPEZDI-UHFFFAOYSA-N 2 0 196.338 2.131 10 0 AEAERP C[NH2+][C@@H](C1CCCCC1)C(C)(C)[NH2+]C 259591498 574004197 /nfs/dbraw/zinc/00/41/97/574004197.db2.gz XUDHARBJFLHVBB-NSHDSACASA-N 2 0 198.354 2.153 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1CCC1([NH3+])CC1 258199534 574005227 /nfs/dbraw/zinc/00/52/27/574005227.db2.gz ZDNMHFCWADIZOG-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP Cc1ccsc1[C@@H]([NH3+])CC[C@H](C)[NH3+] 259271397 574009810 /nfs/dbraw/zinc/00/98/10/574009810.db2.gz IWNCTUUTRPEJOG-IUCAKERBSA-N 2 0 198.335 2.184 10 0 AEAERP CC(C)[NH2+]CC[NH2+][C@H](C)C1CCCC1 393654994 574011077 /nfs/dbraw/zinc/01/10/77/574011077.db2.gz FSPNDXRCEVNVFJ-LLVKDONJSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[N@H+](CC)C1C[C@@H]2CC[C@H](C1)[NH2+]2 48570619 574011665 /nfs/dbraw/zinc/01/16/65/574011665.db2.gz XERRMUKXPPYJAY-FOSCPWQOSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)(CC[NH3+])[C@@H]([NH3+])c1cccs1 259273781 574013303 /nfs/dbraw/zinc/01/33/03/574013303.db2.gz IYNVSJCXHOVABV-VIFPVBQESA-N 2 0 198.335 2.123 10 0 AEAERP CC(C)(CC[NH3+])[C@H]([NH3+])c1cccs1 259273778 574014380 /nfs/dbraw/zinc/01/43/80/574014380.db2.gz IYNVSJCXHOVABV-SECBINFHSA-N 2 0 198.335 2.123 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[C@@H](CC[NH2+]C)C1 259284030 574028385 /nfs/dbraw/zinc/02/83/85/574028385.db2.gz TVYGBMAMTGGAAE-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[C@H](CC[NH2+]C)C1 259284028 574029289 /nfs/dbraw/zinc/02/92/89/574029289.db2.gz TVYGBMAMTGGAAE-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH2+]C)C1 259284023 574029829 /nfs/dbraw/zinc/02/98/29/574029829.db2.gz TVYGBMAMTGGAAE-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[N@@H+]1C[C@@H](CC[NH3+])CC1(C)C 259291083 574036468 /nfs/dbraw/zinc/03/64/68/574036468.db2.gz HALLDJGAVZVDGI-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[N@@H+]1C[C@H](CC[NH3+])CC1(C)C 259291080 574036974 /nfs/dbraw/zinc/03/69/74/574036974.db2.gz HALLDJGAVZVDGI-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[NH2+][C@@H](C)CC[NH+](C)C 49553677 574041214 /nfs/dbraw/zinc/04/12/14/574041214.db2.gz XZIZBYSNCIYMNB-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP C[NH2+][C@H](C1CCCC1)C(C)(C)CC[NH3+] 259301740 574047513 /nfs/dbraw/zinc/04/75/13/574047513.db2.gz JBVPCLXLDSQMTJ-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1CC[NH2+]CCC[N@@H+]1C1CCCC1 259300154 574048062 /nfs/dbraw/zinc/04/80/62/574048062.db2.gz HLTBNPGWNIFQEP-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]1CC[NH2+]CCC[N@@H+]1C1CCCC1 259300157 574048073 /nfs/dbraw/zinc/04/80/73/574048073.db2.gz HLTBNPGWNIFQEP-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+][C@@H](C1CCCC1)C(C)(C)CC[NH3+] 259301741 574048110 /nfs/dbraw/zinc/04/81/10/574048110.db2.gz JBVPCLXLDSQMTJ-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CCC[N@H+](C)C1CCC([NH+](C)C)CC1 1168315953 760899325 /nfs/dbraw/zinc/89/93/25/760899325.db2.gz SEFYCKOQIQJZTF-UHFFFAOYSA-N 2 0 198.354 2.201 10 0 AEAERP CC(C)[N@H+](C)C1CCC([NH+](C)C)CC1 1168314311 760899389 /nfs/dbraw/zinc/89/93/89/760899389.db2.gz DAJKXRPIIQFDQE-UHFFFAOYSA-N 2 0 198.354 2.199 10 0 AEAERP CC(C)[NH+](CC1CC[NH2+]CC1)C(C)C 21949519 1169060942 /nfs/dbraw/zinc/06/09/42/1169060942.db2.gz HXDKSWBBVSJQDI-UHFFFAOYSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](C[NH3+])C[N@H+](C)C1CCCCCC1 36328146 1169076269 /nfs/dbraw/zinc/07/62/69/1169076269.db2.gz IEDNQDVDCMYDSX-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP [NH3+]CCCCCCC[NH2+]C1CCCC1 40408928 1169086036 /nfs/dbraw/zinc/08/60/36/1169086036.db2.gz YIMYBJLAYZNEEM-UHFFFAOYSA-N 2 0 198.354 2.428 10 0 AEAERP CC[C@@H](C)[NH2+]CCCCCCC[NH3+] 40408046 1169086162 /nfs/dbraw/zinc/08/61/62/1169086162.db2.gz ZXUUUAWUGHNGRT-LLVKDONJSA-N 2 0 186.343 2.284 10 0 AEAERP CC[C@H](C)[NH2+]CCCCCCC[NH3+] 40408050 1169086336 /nfs/dbraw/zinc/08/63/36/1169086336.db2.gz ZXUUUAWUGHNGRT-NSHDSACASA-N 2 0 186.343 2.284 10 0 AEAERP CC(C)CC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 41027702 1169089733 /nfs/dbraw/zinc/08/97/33/1169089733.db2.gz YACBUJYGRHNEKD-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 41027701 1169090001 /nfs/dbraw/zinc/09/00/01/1169090001.db2.gz YACBUJYGRHNEKD-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC1([NH2+]C2CC[NH2+]CC2)CCCCC1 45042882 1169091288 /nfs/dbraw/zinc/09/12/88/1169091288.db2.gz WGMDXGCZFSAUEZ-UHFFFAOYSA-N 2 0 196.338 2.051 10 0 AEAERP CCC(CC)[N@H+](C)C1CCC([NH3+])CC1 55144377 1169094202 /nfs/dbraw/zinc/09/42/02/1169094202.db2.gz XLAQXPZCIXWRCA-UHFFFAOYSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[N@H+](CC)CC1CC[NH+](C)CC1 891398917 673927571 /nfs/dbraw/zinc/92/75/71/673927571.db2.gz GTILNSZWAVAOMF-UHFFFAOYSA-N 2 0 198.354 2.060 10 0 AEAERP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCCCCC1 129794244 1169183892 /nfs/dbraw/zinc/18/38/92/1169183892.db2.gz OJLVSLZJRKXLJY-NWDGAFQWSA-N 2 0 196.338 2.179 10 0 AEAERP CCCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 227766085 673969968 /nfs/dbraw/zinc/96/99/68/673969968.db2.gz LTKHNJKVEPBIBT-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227766078 673970188 /nfs/dbraw/zinc/97/01/88/673970188.db2.gz LTKHNJKVEPBIBT-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@@H](CC[NH3+])C1 229258782 673971324 /nfs/dbraw/zinc/97/13/24/673971324.db2.gz BNBGIEMIJLJTSV-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CC[C@@H](CC[NH3+])C1 229258768 673971435 /nfs/dbraw/zinc/97/14/35/673971435.db2.gz BNBGIEMIJLJTSV-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](CCC[NH2+]C1CC1)C1CCC1 706822298 673988358 /nfs/dbraw/zinc/98/83/58/673988358.db2.gz DXEZOOXOHTXLAJ-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)C(C)C 707121331 673990001 /nfs/dbraw/zinc/99/00/01/673990001.db2.gz LMZFOYWLXVIAJU-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)C(C)C 707121332 673990008 /nfs/dbraw/zinc/99/00/08/673990008.db2.gz LMZFOYWLXVIAJU-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CCCCCC[N@@H+]1C[C@@H](C)[C@H](C[NH3+])C1 708170950 673990479 /nfs/dbraw/zinc/99/04/79/673990479.db2.gz SVOUWESCMNPRKS-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CCCCCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 708886765 673991826 /nfs/dbraw/zinc/99/18/26/673991826.db2.gz SVOUWESCMNPRKS-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CCCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 708886767 673992206 /nfs/dbraw/zinc/99/22/06/673992206.db2.gz SVOUWESCMNPRKS-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C1 708886768 673992390 /nfs/dbraw/zinc/99/23/90/673992390.db2.gz SVOUWESCMNPRKS-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C[N@@H+]1CC[C@H](N)C1)CC(C)(C)C 709102067 673992766 /nfs/dbraw/zinc/99/27/66/673992766.db2.gz DILXKNBISKHOBM-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[N@@H+]1CC[C@@H](N)C1)CC(C)(C)C 709102066 673992857 /nfs/dbraw/zinc/99/28/57/673992857.db2.gz DILXKNBISKHOBM-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](C[N@@H+]1CC[C@H](N)C1)CC(C)(C)C 709102068 673992987 /nfs/dbraw/zinc/99/29/87/673992987.db2.gz DILXKNBISKHOBM-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](C[N@@H+]1CC[C@@H](N)C1)CC(C)(C)C 709102069 673993481 /nfs/dbraw/zinc/99/34/81/673993481.db2.gz DILXKNBISKHOBM-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)CC[C@@H](C)[NH2+]C(C)C 145411895 1169224623 /nfs/dbraw/zinc/22/46/23/1169224623.db2.gz NKTQQGIEVUUAME-LLVKDONJSA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH+](CC)CC[C@H](C)[NH2+]C(C)C 145412089 1169225193 /nfs/dbraw/zinc/22/51/93/1169225193.db2.gz NKTQQGIEVUUAME-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP CCCC[N@@H+]1CC[NH2+]CCC12CCC2 713151854 674013128 /nfs/dbraw/zinc/01/31/28/674013128.db2.gz STTWOSXODKOSJH-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP CCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 714405034 674017571 /nfs/dbraw/zinc/01/75/71/674017571.db2.gz ORKPPZYCSAHMDK-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)C1CC([NH2+]CCC(C)(C)[NH3+])C1 714598389 674017653 /nfs/dbraw/zinc/01/76/53/674017653.db2.gz UGJYHKYOSFNUPW-UHFFFAOYSA-N 2 0 198.354 2.138 10 0 AEAERP CCC1([NH3+])CC[NH+](C2CCCC2)CC1 714754007 674018269 /nfs/dbraw/zinc/01/82/69/674018269.db2.gz LLIFFRQSFBIADS-UHFFFAOYSA-N 2 0 196.338 2.132 10 0 AEAERP CCC[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 714754463 674018378 /nfs/dbraw/zinc/01/83/78/674018378.db2.gz ULLUVCLZQYNGJY-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCC1([NH3+])CC[NH+](CC(C)(C)C)CC1 714750657 674018386 /nfs/dbraw/zinc/01/83/86/674018386.db2.gz WPMVBHSFUUXDJD-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC1([NH3+])CC[NH+]([C@H](C)C(C)C)CC1 714749932 674018720 /nfs/dbraw/zinc/01/87/20/674018720.db2.gz IMCYTJGZQVNKJB-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)C[NH+]1CCC([NH3+])(CC)CC1 714753846 674018787 /nfs/dbraw/zinc/01/87/87/674018787.db2.gz IOCZKPFLURAGIU-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC1([NH3+])CC[NH+]([C@@H](C)C(C)C)CC1 714749933 674018812 /nfs/dbraw/zinc/01/88/12/674018812.db2.gz IMCYTJGZQVNKJB-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[NH+]1CCC([NH3+])(CC)CC1 714753848 674018821 /nfs/dbraw/zinc/01/88/21/674018821.db2.gz IOCZKPFLURAGIU-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 714754460 674019002 /nfs/dbraw/zinc/01/90/02/674019002.db2.gz ULLUVCLZQYNGJY-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[NH2+]C1CCC(C)([NH+](C)C)CC1 715491140 674021991 /nfs/dbraw/zinc/02/19/91/674021991.db2.gz NEFQXKJLOUHTKZ-UHFFFAOYSA-N 2 0 198.354 2.247 10 0 AEAERP CCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 925495256 674052334 /nfs/dbraw/zinc/05/23/34/674052334.db2.gz SYDSINNDBMXDCB-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 925495258 674052411 /nfs/dbraw/zinc/05/24/11/674052411.db2.gz SYDSINNDBMXDCB-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 925495236 674052422 /nfs/dbraw/zinc/05/24/22/674052422.db2.gz SYDSINNDBMXDCB-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 925495261 674052442 /nfs/dbraw/zinc/05/24/42/674052442.db2.gz SYDSINNDBMXDCB-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)CCC[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 166012793 1169273392 /nfs/dbraw/zinc/27/33/92/1169273392.db2.gz XPXZHPOHCWOOSP-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CCC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 166012671 1169274379 /nfs/dbraw/zinc/27/43/79/1169274379.db2.gz XPXZHPOHCWOOSP-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CCC[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 166013021 1169276908 /nfs/dbraw/zinc/27/69/08/1169276908.db2.gz XPXZHPOHCWOOSP-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CCC[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 166012897 1169277064 /nfs/dbraw/zinc/27/70/64/1169277064.db2.gz XPXZHPOHCWOOSP-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[NH2+]CCCC[NH+]1CCCC1 166624448 1169279165 /nfs/dbraw/zinc/27/91/65/1169279165.db2.gz ZGSLLXDXUPBTTL-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H](C)[NH2+]CCCC[NH+]1CCCC1 166624337 1169279315 /nfs/dbraw/zinc/27/93/15/1169279315.db2.gz ZGSLLXDXUPBTTL-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 37914230 674063630 /nfs/dbraw/zinc/06/36/30/674063630.db2.gz KGURJBDJJVVCDM-LBPRGKRZSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 37914229 674063602 /nfs/dbraw/zinc/06/36/02/674063602.db2.gz KGURJBDJJVVCDM-GFCCVEGCSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C 721103683 674076775 /nfs/dbraw/zinc/07/67/75/674076775.db2.gz RIEOPOPVIUTIEB-IJLUTSLNSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C 721076780 674077376 /nfs/dbraw/zinc/07/73/76/674077376.db2.gz RIEOPOPVIUTIEB-GRYCIOLGSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH+](C)C1CCC([NH2+]C(C)(C)C)CC1 218514795 1169343181 /nfs/dbraw/zinc/34/31/81/1169343181.db2.gz HZKZYDHNISNFIM-UHFFFAOYSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 222879115 1169359787 /nfs/dbraw/zinc/35/97/87/1169359787.db2.gz IKUQMKGUWNCFCA-GMTAPVOTSA-N 2 0 184.327 2.035 10 0 AEAERP CCC[C@H](CC)[NH+]1CCC(C[NH3+])CC1 224420126 1169364323 /nfs/dbraw/zinc/36/43/23/1169364323.db2.gz GBAZSJGJMUGEES-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](CC)[NH+]1CCC(C[NH3+])CC1 224420074 1169366086 /nfs/dbraw/zinc/36/60/86/1169366086.db2.gz GBAZSJGJMUGEES-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@@H](CCC)[NH2+]C1CC([NH3+])C1 225985077 1169375117 /nfs/dbraw/zinc/37/51/17/1169375117.db2.gz XPNOTEBMHUGKOO-MOENNCHZSA-N 2 0 198.354 2.425 10 0 AEAERP CCCC[C@H](CCC)[NH2+]C1CC([NH3+])C1 225985087 1169376266 /nfs/dbraw/zinc/37/62/66/1169376266.db2.gz XPNOTEBMHUGKOO-CXQJBGSLSA-N 2 0 198.354 2.425 10 0 AEAERP CCCC[N@H+](CC)[C@H]1CC[NH2+][C@@H](C)C1 229538397 1169385367 /nfs/dbraw/zinc/38/53/67/1169385367.db2.gz OTCJMVCXBLVNDY-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1C[C@@H]([N@H+](C)C2CCCC2)CC[NH2+]1 229541188 1169385585 /nfs/dbraw/zinc/38/55/85/1169385585.db2.gz ADSJFSVFNMHNTL-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]1C[C@H]([N@H+](C)C2CCCC2)CC[NH2+]1 229541170 1169386165 /nfs/dbraw/zinc/38/61/65/1169386165.db2.gz ADSJFSVFNMHNTL-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@@H]1C[C@@H]([N@H+](C)CC(C)(C)C)CC[NH2+]1 229545522 1169386288 /nfs/dbraw/zinc/38/62/88/1169386288.db2.gz NMAQJMNUTQETLD-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229542052 1169386675 /nfs/dbraw/zinc/38/66/75/1169386675.db2.gz XUJWMJCRJJCIPE-CMPLNLGQSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@@H]1C[C@H]([N@H+](C)C2CCCC2)CC[NH2+]1 229541161 1169386956 /nfs/dbraw/zinc/38/69/56/1169386956.db2.gz ADSJFSVFNMHNTL-ZYHUDNBSSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]1C[C@H]([N@H+](C)CC(C)(C)C)CC[NH2+]1 229545517 1169388251 /nfs/dbraw/zinc/38/82/51/1169388251.db2.gz NMAQJMNUTQETLD-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]1C[C@H]([N@H+](C)CC(C)(C)C)CC[NH2+]1 229545511 1169388578 /nfs/dbraw/zinc/38/85/78/1169388578.db2.gz NMAQJMNUTQETLD-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229541521 1169388677 /nfs/dbraw/zinc/38/86/77/1169388677.db2.gz IIMFNXOLIJDRSX-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]1C[C@@H]([N@H+](C)C2CCCC2)CC[NH2+]1 229541177 1169388708 /nfs/dbraw/zinc/38/87/08/1169388708.db2.gz ADSJFSVFNMHNTL-PWSUYJOCSA-N 2 0 196.338 2.001 10 0 AEAERP CCCC[N@H+](CC)[C@@H]1CC[NH2+][C@@H](C)C1 229538389 1169388828 /nfs/dbraw/zinc/38/88/28/1169388828.db2.gz OTCJMVCXBLVNDY-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1C[C@@H]([N@H+](C)CC(C)(C)C)CC[NH2+]1 229545528 1169389059 /nfs/dbraw/zinc/38/90/59/1169389059.db2.gz NMAQJMNUTQETLD-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229541512 1169389546 /nfs/dbraw/zinc/38/95/46/1169389546.db2.gz IIMFNXOLIJDRSX-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC(CC)[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229542059 1169389657 /nfs/dbraw/zinc/38/96/57/1169389657.db2.gz XUJWMJCRJJCIPE-JQWIXIFHSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 229542926 1169390138 /nfs/dbraw/zinc/39/01/38/1169390138.db2.gz MDEPUMRNGJYFRA-QJPTWQEYSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[C@@H](C)[N@H+](CCC)CCC[NH3+] 233275553 1169409972 /nfs/dbraw/zinc/40/99/72/1169409972.db2.gz ALGNZXLBPPTWDE-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCC[C@@H](C)[N@H+](CCC[NH3+])C(C)C 233275591 1169410709 /nfs/dbraw/zinc/41/07/09/1169410709.db2.gz WTHNULKAVZUMDV-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[C@H](C)[N@H+](CCC[NH3+])C(C)C 233333777 1169411430 /nfs/dbraw/zinc/41/14/30/1169411430.db2.gz WTHNULKAVZUMDV-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC1 233430131 1169412265 /nfs/dbraw/zinc/41/22/65/1169412265.db2.gz DAVPKKLBWFCEEG-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC1 233445052 1169412833 /nfs/dbraw/zinc/41/28/33/1169412833.db2.gz DAVPKKLBWFCEEG-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)CCC[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251665080 1169432351 /nfs/dbraw/zinc/43/23/51/1169432351.db2.gz LBWWKKXLXAXNNX-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 252945699 1169435857 /nfs/dbraw/zinc/43/58/57/1169435857.db2.gz MDEPUMRNGJYFRA-IJLUTSLNSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 252945701 1169436084 /nfs/dbraw/zinc/43/60/84/1169436084.db2.gz MDEPUMRNGJYFRA-UTUOFQBUSA-N 2 0 196.338 2.001 10 0 AEAERP CCCCC[N@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252939841 1169436191 /nfs/dbraw/zinc/43/61/91/1169436191.db2.gz IIMFNXOLIJDRSX-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCCCC[N@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 252939842 1169436375 /nfs/dbraw/zinc/43/63/75/1169436375.db2.gz IIMFNXOLIJDRSX-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 252945700 1169437305 /nfs/dbraw/zinc/43/73/05/1169437305.db2.gz MDEPUMRNGJYFRA-TUAOUCFPSA-N 2 0 196.338 2.001 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 252966976 1169437408 /nfs/dbraw/zinc/43/74/08/1169437408.db2.gz XUJWMJCRJJCIPE-ZYHUDNBSSA-N 2 0 198.354 2.247 10 0 AEAERP CCC(CC)[N@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252966975 1169437596 /nfs/dbraw/zinc/43/75/96/1169437596.db2.gz XUJWMJCRJJCIPE-PWSUYJOCSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[N@H+](C)CCC1CC[NH+](C)CC1 259982298 1169446679 /nfs/dbraw/zinc/44/66/79/1169446679.db2.gz ISKPIVQTIGGDIJ-UHFFFAOYSA-N 2 0 198.354 2.059 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 300356861 1169459425 /nfs/dbraw/zinc/45/94/25/1169459425.db2.gz QWOQZDCQSYJWGG-UTUOFQBUSA-N 2 0 198.354 2.010 10 0 AEAERP CCCCC[C@H](C)[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049604 1169459825 /nfs/dbraw/zinc/45/98/25/1169459825.db2.gz SXFIIXMTZULNHI-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](CC)[NH+]1CCC(C)([NH3+])CC1 309012527 1169552632 /nfs/dbraw/zinc/55/26/32/1169552632.db2.gz SJJHIWKHNACUNF-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@@H](CC)[NH+]1CCC(C)([NH3+])CC1 309012526 1169553191 /nfs/dbraw/zinc/55/31/91/1169553191.db2.gz SJJHIWKHNACUNF-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]CCC[NH+]1CCCCCCCC1 322287948 1169555226 /nfs/dbraw/zinc/55/52/26/1169555226.db2.gz WRTKKRWSEAQBHP-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP [NH3+]CCCC[NH+]1CCCCCCCC1 321981502 1169556179 /nfs/dbraw/zinc/55/61/79/1169556179.db2.gz UDIINRLXXBMIRF-UHFFFAOYSA-N 2 0 198.354 2.382 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CCC[C@@H]([NH3+])CC1 378680900 1169562015 /nfs/dbraw/zinc/56/20/15/1169562015.db2.gz WAXTYZUHDIPVHI-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCCC[N@@H+]1CCC[C@H]([NH3+])CC1 378666635 1169562200 /nfs/dbraw/zinc/56/22/00/1169562200.db2.gz GUVCIXSVMPLAHV-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP CCCCCC[N@@H+]1CCC[C@@H]([NH3+])CC1 378666634 1169562225 /nfs/dbraw/zinc/56/22/25/1169562225.db2.gz GUVCIXSVMPLAHV-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CCC[C@H]([NH3+])CC1 378680901 1169562290 /nfs/dbraw/zinc/56/22/90/1169562290.db2.gz WAXTYZUHDIPVHI-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CCC[C@H]([NH3+])CC1 378680899 1169562595 /nfs/dbraw/zinc/56/25/95/1169562595.db2.gz WAXTYZUHDIPVHI-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CCC[C@@H]([NH3+])CC1 378680902 1169562978 /nfs/dbraw/zinc/56/29/78/1169562978.db2.gz WAXTYZUHDIPVHI-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 379542766 1169587018 /nfs/dbraw/zinc/58/70/18/1169587018.db2.gz RSMGGDJQAJMODD-QJPTWQEYSA-N 2 0 198.354 2.233 10 0 AEAERP CCCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 379587140 1169589628 /nfs/dbraw/zinc/58/96/28/1169589628.db2.gz RYXHRLGGBQMIOC-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CCCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 379587137 1169590666 /nfs/dbraw/zinc/59/06/66/1169590666.db2.gz RYXHRLGGBQMIOC-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CCC(CC)[N@@H+]1CCCC[C@@H](C[NH3+])C1 379612870 1169592603 /nfs/dbraw/zinc/59/26/03/1169592603.db2.gz WDUQXHFRSODIEC-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@@H+]1CCCC[C@H](C[NH3+])C1 379612869 1169593393 /nfs/dbraw/zinc/59/33/93/1169593393.db2.gz WDUQXHFRSODIEC-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCCC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 381563048 1169596528 /nfs/dbraw/zinc/59/65/28/1169596528.db2.gz IHCBJMDLAHGCOB-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CCCCCC[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C 381709320 1169596851 /nfs/dbraw/zinc/59/68/51/1169596851.db2.gz IHCBJMDLAHGCOB-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CCCCCC[N@@H+]1CCC[C@H]([NH3+])[C@H]1C 381709317 1169597300 /nfs/dbraw/zinc/59/73/00/1169597300.db2.gz IHCBJMDLAHGCOB-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCCCCC[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C 381709324 1169598128 /nfs/dbraw/zinc/59/81/28/1169598128.db2.gz IHCBJMDLAHGCOB-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)CCC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 381622129 1169598164 /nfs/dbraw/zinc/59/81/64/1169598164.db2.gz SHRSUAYJDWEDFS-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 389216794 1169635974 /nfs/dbraw/zinc/63/59/74/1169635974.db2.gz KUZLXTDDMZYOIT-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CC[N@@H+]1CCCC[C@@H](C[NH3+])C1 389231593 1169636167 /nfs/dbraw/zinc/63/61/67/1169636167.db2.gz UCEAVGOMHVBFDZ-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)CC[N@@H+]1CCCC[C@H](C[NH3+])C1 389231591 1169637188 /nfs/dbraw/zinc/63/71/88/1169637188.db2.gz UCEAVGOMHVBFDZ-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 389216796 1169637357 /nfs/dbraw/zinc/63/73/57/1169637357.db2.gz KUZLXTDDMZYOIT-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 389216797 1169637432 /nfs/dbraw/zinc/63/74/32/1169637432.db2.gz KUZLXTDDMZYOIT-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 389216793 1169637460 /nfs/dbraw/zinc/63/74/60/1169637460.db2.gz KUZLXTDDMZYOIT-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH2+]C 394651165 1169649016 /nfs/dbraw/zinc/64/90/16/1169649016.db2.gz ZBPLWODPRINCFY-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH2+]C 394651170 1169649108 /nfs/dbraw/zinc/64/91/08/1169649108.db2.gz ZBPLWODPRINCFY-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@H](C)[NH+]1CCC(C[NH3+])CC1 394619083 1169649145 /nfs/dbraw/zinc/64/91/45/1169649145.db2.gz KTHMMOHLXAFDHM-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CCC[N@@H+]1CCC[C@H]([NH3+])[C@H]1C 394626684 1169649641 /nfs/dbraw/zinc/64/96/41/1169649641.db2.gz SHRSUAYJDWEDFS-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 394619081 1169650411 /nfs/dbraw/zinc/65/04/11/1169650411.db2.gz KTHMMOHLXAFDHM-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CCC[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C 394626685 1169650812 /nfs/dbraw/zinc/65/08/12/1169650812.db2.gz SHRSUAYJDWEDFS-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CCC[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C 394626686 1169651015 /nfs/dbraw/zinc/65/10/15/1169651015.db2.gz SHRSUAYJDWEDFS-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 400508683 1169674321 /nfs/dbraw/zinc/67/43/21/1169674321.db2.gz IRQQENATJZWHQL-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 400508680 1169674571 /nfs/dbraw/zinc/67/45/71/1169674571.db2.gz IRQQENATJZWHQL-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 400508681 1169674679 /nfs/dbraw/zinc/67/46/79/1169674679.db2.gz IRQQENATJZWHQL-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 400508686 1169675262 /nfs/dbraw/zinc/67/52/62/1169675262.db2.gz IRQQENATJZWHQL-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP [NH3+]CCCC[NH+]1C2CCCC1CCC2 707224139 1169718214 /nfs/dbraw/zinc/71/82/14/1169718214.db2.gz PTFXEIHSMGBTAF-UHFFFAOYSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+]CCCC[N@@H+]1CCC12CCCCC2 707603669 1169719334 /nfs/dbraw/zinc/71/93/34/1169719334.db2.gz LBXIXTZTVDXPBA-UHFFFAOYSA-N 2 0 196.338 2.134 10 0 AEAERP CCC[C@H](CC)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 708863523 1169721879 /nfs/dbraw/zinc/72/18/79/1169721879.db2.gz WAONQYWVFOCTAT-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 708823441 1169723405 /nfs/dbraw/zinc/72/34/05/1169723405.db2.gz VBYCKWKPRAGMNL-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 1257434002 1170023539 /nfs/dbraw/zinc/02/35/39/1170023539.db2.gz MLQNPBGRVDZMGT-SRVKXCTJSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 1257434001 1170024749 /nfs/dbraw/zinc/02/47/49/1170024749.db2.gz MLQNPBGRVDZMGT-IJLUTSLNSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@H](C)CC[NH2+][C@H]1CC[C@@H]1C(C)C 1261424110 1170115014 /nfs/dbraw/zinc/11/50/14/1170115014.db2.gz NJKQPIGMEKNXLZ-UTUOFQBUSA-N 2 0 198.354 2.009 10 0 AEAERP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)C 1261424109 1170115091 /nfs/dbraw/zinc/11/50/91/1170115091.db2.gz NJKQPIGMEKNXLZ-IJLUTSLNSA-N 2 0 198.354 2.009 10 0 AEAERP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[C@H]1C(C)C 1261424108 1170115547 /nfs/dbraw/zinc/11/55/47/1170115547.db2.gz NJKQPIGMEKNXLZ-GRYCIOLGSA-N 2 0 198.354 2.009 10 0 AEAERP C[NH2+][C@H](C)CC[NH2+][C@H]1CC[C@H]1C(C)C 1261424111 1170115686 /nfs/dbraw/zinc/11/56/86/1170115686.db2.gz NJKQPIGMEKNXLZ-WOPDTQHZSA-N 2 0 198.354 2.009 10 0 AEAERP CCC[NH2+]CC[NH2+][C@@H]1CC[C@H]1C(C)C 1325756729 1170231505 /nfs/dbraw/zinc/23/15/05/1170231505.db2.gz ZLDSBIJHGNUGKV-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@H]1C(C)C 1325756731 1170231844 /nfs/dbraw/zinc/23/18/44/1170231844.db2.gz ZLDSBIJHGNUGKV-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[NH2+]CC[NH2+][C@H]1CC[C@H]1C(C)C 1325756730 1170232437 /nfs/dbraw/zinc/23/24/37/1170232437.db2.gz ZLDSBIJHGNUGKV-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[NH2+]CC[NH2+][C@H]1CC[C@@H]1C(C)C 1325756728 1170232546 /nfs/dbraw/zinc/23/25/46/1170232546.db2.gz ZLDSBIJHGNUGKV-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CC1(C)C[C@H]([NH2+]C2(C)CC2)C[C@H]([NH3+])C1 1333599536 1170327337 /nfs/dbraw/zinc/32/73/37/1170327337.db2.gz WYZIZSNFCHYSHB-VHSXEESVSA-N 2 0 196.338 2.035 10 0 AEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2(C)CC2)C1 1333599534 1170329652 /nfs/dbraw/zinc/32/96/52/1170329652.db2.gz WYZIZSNFCHYSHB-NXEZZACHSA-N 2 0 196.338 2.035 10 0 AEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2(C)CC2)C1 1333599535 1170329658 /nfs/dbraw/zinc/32/96/58/1170329658.db2.gz WYZIZSNFCHYSHB-UWVGGRQHSA-N 2 0 196.338 2.035 10 0 AEAERP CC1(C)C[C@H]([NH3+])C[C@H]([NH2+]C2(C)CC2)C1 1333599537 1170330185 /nfs/dbraw/zinc/33/01/85/1170330185.db2.gz WYZIZSNFCHYSHB-ZJUUUORDSA-N 2 0 196.338 2.035 10 0 AEAERP C[NH2+][C@H](C)CC[NH2+]C1CC(C(C)C)C1 1345481387 1170471556 /nfs/dbraw/zinc/47/15/56/1170471556.db2.gz BIKWGMJSLLAULZ-VOMCLLRMSA-N 2 0 198.354 2.009 10 0 AEAERP C[NH2+][C@@H](C)CC[NH2+]C1CC(C(C)C)C1 1345481369 1170471812 /nfs/dbraw/zinc/47/18/12/1170471812.db2.gz BIKWGMJSLLAULZ-UNXYVOJBSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@](C)(C[NH3+])C[N@@H+]1CCC[C@H](C)C1 51210143 571672558 /nfs/dbraw/zinc/67/25/58/571672558.db2.gz VNCQNVJJMCVHOA-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](N)C[N@@H+]1CCC[C@H](C)[C@@H]1C 50564236 571672579 /nfs/dbraw/zinc/67/25/79/571672579.db2.gz VTRQWSQWYLSFIC-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 50245378 571672872 /nfs/dbraw/zinc/67/28/72/571672872.db2.gz JNMCVECOCJOJIZ-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[N@@H+]1CC[C@H](C)C1 51249970 571673594 /nfs/dbraw/zinc/67/35/94/571673594.db2.gz DSIXKMQCWPCNQA-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](CN1CCC[C@H](C)[C@@H]1C)[NH2+]C 50564253 571673698 /nfs/dbraw/zinc/67/36/98/571673698.db2.gz XVFGORHHSNDFOX-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@H](C)[C@H]1C 50564561 571673780 /nfs/dbraw/zinc/67/37/80/571673780.db2.gz DUSJWGWGFGIIMH-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CC[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 50245377 571674294 /nfs/dbraw/zinc/67/42/94/571674294.db2.gz JNMCVECOCJOJIZ-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@@H](C)[C@H]1C 50564560 571674360 /nfs/dbraw/zinc/67/43/60/571674360.db2.gz DUSJWGWGFGIIMH-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@](C)(C[NH3+])C[N@@H+]1CCC[C@H](C)C1 51210141 571674469 /nfs/dbraw/zinc/67/44/69/571674469.db2.gz VNCQNVJJMCVHOA-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](CC)[N@@H+]1CC[C@H](C[NH2+]C)C1 53034699 571676754 /nfs/dbraw/zinc/67/67/54/571676754.db2.gz QJDHWCXUGFCNNM-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]CC)C1 53011686 571677043 /nfs/dbraw/zinc/67/70/43/571677043.db2.gz SGXFELHLQPKJSC-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 53034788 571677975 /nfs/dbraw/zinc/67/79/75/571677975.db2.gz VEXUDHZSJVLIOZ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CC[C@H](C[NH2+]C)C1 53034701 571678232 /nfs/dbraw/zinc/67/82/32/571678232.db2.gz QJDHWCXUGFCNNM-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 53034789 571678383 /nfs/dbraw/zinc/67/83/83/571678383.db2.gz VEXUDHZSJVLIOZ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CCCCCC[N@@H+]1CCC[C@H]1C 70596027 571678518 /nfs/dbraw/zinc/67/85/18/571678518.db2.gz IXVPLTRGTBCHNT-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[N@H+](C)CCCCCC[NH2+]C1CC1 70596172 571678685 /nfs/dbraw/zinc/67/86/85/571678685.db2.gz ICLGMJWDRGUKMT-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+]CCCCCC[N@@H+]1CC[C@@H](C)C1 70596264 571678707 /nfs/dbraw/zinc/67/87/07/571678707.db2.gz PKQYKBFYHREWCP-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@H](C)[N@@H+]1CC[C@H](C[NH2+]CC)C1 53011688 571678865 /nfs/dbraw/zinc/67/88/65/571678865.db2.gz SGXFELHLQPKJSC-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CCCCCC[N@H+](C)CC1CC1 70596258 571679312 /nfs/dbraw/zinc/67/93/12/571679312.db2.gz JELBWFLXPDHQSE-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[NH2+]CCCCCC[NH+](C)C 70596135 571679344 /nfs/dbraw/zinc/67/93/44/571679344.db2.gz DYCVBMOMTSBBBS-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CC[N@H+](CCCCCC[NH2+]C)C1CC1 70596202 571679364 /nfs/dbraw/zinc/67/93/64/571679364.db2.gz SSGFNLLZGZHIGH-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+]CCCCCC[N@@H+]1CCC[C@@H]1C 70596028 571679414 /nfs/dbraw/zinc/67/94/14/571679414.db2.gz IXVPLTRGTBCHNT-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+]CCCCCC[N@H+](C)C1CC1 70596169 571679535 /nfs/dbraw/zinc/67/95/35/571679535.db2.gz BTYNMSUFAOZZMC-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+]C[C@H](CC)N(C)[C@H](C)CC 52443988 571679599 /nfs/dbraw/zinc/67/95/99/571679599.db2.gz SEKZQFYYBWIPMT-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+]CCCCCC[N@@H+]1CC[C@H](C)C1 70596265 571679661 /nfs/dbraw/zinc/67/96/61/571679661.db2.gz PKQYKBFYHREWCP-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)CC 53648575 571679705 /nfs/dbraw/zinc/67/97/05/571679705.db2.gz UKMCDPSRYBOMOQ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCN([C@@H](C)C[NH2+]C(C)(C)C)C1 52484315 571679728 /nfs/dbraw/zinc/67/97/28/571679728.db2.gz WYGRLIDKLWIGRI-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[NH2+]C[C@H](C)C[N@@H+]1CCC[C@H]1C 52375633 571679740 /nfs/dbraw/zinc/67/97/40/571679740.db2.gz HHIOWDUHGKZXRS-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH+](CC)CCCCCC[NH2+]C 70596057 571679745 /nfs/dbraw/zinc/67/97/45/571679745.db2.gz SAPCPXXJBOUETQ-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CC[NH2+]CCC[C@@H](C)[N@@H+]1CC[C@H](C)C1 52484550 571679798 /nfs/dbraw/zinc/67/97/98/571679798.db2.gz XAHDPUMIQZCOIO-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1CC 52375435 571680092 /nfs/dbraw/zinc/68/00/92/571680092.db2.gz TVMZQWCJAUNTTF-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+]CCCCCC[N@H+](C)CC 70596176 571680171 /nfs/dbraw/zinc/68/01/71/571680171.db2.gz NZYHMJYWULZIDA-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CCC[N@H+](C)CCCCCC[NH2+]C 70596158 571680625 /nfs/dbraw/zinc/68/06/25/571680625.db2.gz KFMITWLKCFSFOH-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CC(C)[NH2+]CCCCCC[NH+](C)C 70596133 571680643 /nfs/dbraw/zinc/68/06/43/571680643.db2.gz ILIYRATYFZOQKO-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH2+]CCCCCC[NH+]1CCCC1 70596046 571680655 /nfs/dbraw/zinc/68/06/55/571680655.db2.gz KPUKHRPEYJCCRE-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP C[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@H](C)C1 52381486 571680713 /nfs/dbraw/zinc/68/07/13/571680713.db2.gz HVRVSKCHQNANEJ-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H]1C 52373310 571680743 /nfs/dbraw/zinc/68/07/43/571680743.db2.gz CBFBMFQEJAVIBQ-GRYCIOLGSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H](C)[C@H]1C 52373311 571680810 /nfs/dbraw/zinc/68/08/10/571680810.db2.gz CBFBMFQEJAVIBQ-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@@H](C)N1CCC[C@H](C)C1 52381121 571681620 /nfs/dbraw/zinc/68/16/20/571681620.db2.gz ASLTZSQFWVXNTR-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@@H](CC)N1CCC[C@H](C)C1 52381143 571681751 /nfs/dbraw/zinc/68/17/51/571681751.db2.gz ZUIBNMZQLZOLEV-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1C 52376187 571681862 /nfs/dbraw/zinc/68/18/62/571681862.db2.gz LRBPTCUFLGVBGG-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+]C[C@H](CC)N1CC[C@H](C)C1 52484323 571681991 /nfs/dbraw/zinc/68/19/91/571681991.db2.gz XOSGAELZMYZIKT-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@H](C)C[N@@H+]1CCC[C@H]1CC 52374891 571682493 /nfs/dbraw/zinc/68/24/93/571682493.db2.gz DRSDHNLGTRAAKP-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CC[NH2+]C1CC1)[N@@H+]1CCC[C@H]1C 52376190 571682154 /nfs/dbraw/zinc/68/21/54/571682154.db2.gz HCNXNGLMKZJOKE-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+]C[C@H](C)N1CCCC[C@H]1CC 52447251 571682385 /nfs/dbraw/zinc/68/23/85/571682385.db2.gz XPKVVHATWSMVAS-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+]CCC[C@H](C)[N@@H+]1CCCC[C@H]1C 52378929 571682517 /nfs/dbraw/zinc/68/25/17/571682517.db2.gz HUFMZBKXYAOQSL-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+]C[C@@H](CC)N1CC[C@H](C)C1 52484322 571682593 /nfs/dbraw/zinc/68/25/93/571682593.db2.gz XOSGAELZMYZIKT-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CCC[C@H](C)[N@@H+]1CC[C@H](C)C1 52484551 571682924 /nfs/dbraw/zinc/68/29/24/571682924.db2.gz XAHDPUMIQZCOIO-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@H](CC)N1CCC[C@H](C)C1 52381141 571683148 /nfs/dbraw/zinc/68/31/48/571683148.db2.gz ZUIBNMZQLZOLEV-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1CCC[C@@H](C)[C@H]1C 52373390 571683905 /nfs/dbraw/zinc/68/39/05/571683905.db2.gz WCJSLSFDDQKXEB-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1CC[C@@H](C)C[C@H]1C 52510136 571684030 /nfs/dbraw/zinc/68/40/30/571684030.db2.gz IFZNWWACBYMARQ-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP CCC([NH3+])(CC)C([NH3+])(CC)CC 34729585 571684312 /nfs/dbraw/zinc/68/43/12/571684312.db2.gz XNUQPIUMLGTCFW-UHFFFAOYSA-N 2 0 172.316 2.021 10 0 AEAERP CCC[C@@H]1CC[C@H]([NH3+])[C@H](C[NH+](C)C)C1 53864575 571684486 /nfs/dbraw/zinc/68/44/86/571684486.db2.gz XAZZHHUGUYEVRR-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)CC)C1 53865193 571684931 /nfs/dbraw/zinc/68/49/31/571684931.db2.gz ARLCBQASZQADPE-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](C)C1 687715736 571685360 /nfs/dbraw/zinc/68/53/60/571685360.db2.gz ZUNKBVIUCWHCLJ-RYUDHWBXSA-N 2 0 198.354 2.059 10 0 AEAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+](C)CC)C1 53865196 571685679 /nfs/dbraw/zinc/68/56/79/571685679.db2.gz ARLCBQASZQADPE-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 53865615 571686172 /nfs/dbraw/zinc/68/61/72/571686172.db2.gz HMWVCUCNZRIDIK-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@H+](CCCC[NH+](C)C)C1CC1 687715380 571687107 /nfs/dbraw/zinc/68/71/07/571687107.db2.gz ALFMOWIOEOLWRD-UHFFFAOYSA-N 2 0 198.354 2.201 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](C)C1 687715734 571687373 /nfs/dbraw/zinc/68/73/73/571687373.db2.gz ZUNKBVIUCWHCLJ-NEPJUHHUSA-N 2 0 198.354 2.059 10 0 AEAERP CCCC[NH2+]CCC[C@@H](C)CC[NH3+] 70610842 571687610 /nfs/dbraw/zinc/68/76/10/571687610.db2.gz SGDDXRKWKVBZTK-LLVKDONJSA-N 2 0 186.343 2.141 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[NH2+]C1CCC1 70611568 571687738 /nfs/dbraw/zinc/68/77/38/571687738.db2.gz PWLOFSHTUMSOST-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](CC[NH3+])CCC[NH2+]C1CCC1 70611567 571687744 /nfs/dbraw/zinc/68/77/44/571687744.db2.gz PWLOFSHTUMSOST-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H]1CCC[N@H+](C[C@@H](C)C[NH3+])CC1 70612936 571687796 /nfs/dbraw/zinc/68/77/96/571687796.db2.gz LPECHMQEOBVZPS-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](CC[NH3+])CCC[NH2+]C1CC1 70612084 571687815 /nfs/dbraw/zinc/68/78/15/571687815.db2.gz QPYVABAPGRSLCE-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H](CC[NH3+])CCC[NH2+][C@@H]1CC1(C)C 70610931 571687877 /nfs/dbraw/zinc/68/78/77/571687877.db2.gz KNCFZSYPLALYOX-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H](CC[NH3+])CCC[NH+](C)C 70612050 571687957 /nfs/dbraw/zinc/68/79/57/571687957.db2.gz CDYUEHWPUOPLQB-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@@H]1CC[C@@H]([NH3+])[C@H](C[NH+](C)C)C1 53864578 571687984 /nfs/dbraw/zinc/68/79/84/571687984.db2.gz XAZZHHUGUYEVRR-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[NH2+][C@@H]1C[C@@H]1C 70611570 571688021 /nfs/dbraw/zinc/68/80/21/571688021.db2.gz HKGYBQPSKRTZPE-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 687715737 571688025 /nfs/dbraw/zinc/68/80/25/571688025.db2.gz ZUNKBVIUCWHCLJ-VXGBXAGGSA-N 2 0 198.354 2.059 10 0 AEAERP CC[C@H](CC[NH3+])CCC[N@H+](C)CC 70611451 571688049 /nfs/dbraw/zinc/68/80/49/571688049.db2.gz SMLOAVZYRUGXLE-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@H](C)[NH2+]CCC[C@H](C)CC[NH3+] 70610827 571688270 /nfs/dbraw/zinc/68/82/70/571688270.db2.gz HIAWZIANOOWYRD-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[N@H+](C)CC 70611452 571688128 /nfs/dbraw/zinc/68/81/28/571688128.db2.gz SMLOAVZYRUGXLE-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@H](CC[NH3+])CCC[NH2+]CC 70612093 571688177 /nfs/dbraw/zinc/68/81/77/571688177.db2.gz UWBWMSYRMNZNDE-NSHDSACASA-N 2 0 186.343 2.141 10 0 AEAERP CC[N@H+](CCC[C@H](C)CC[NH3+])C1CC1 70610735 571688243 /nfs/dbraw/zinc/68/82/43/571688243.db2.gz MTFWOMFSACTKTH-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](CC[NH3+])CCC[N@H+](C)C1CC1 70611455 571688207 /nfs/dbraw/zinc/68/82/07/571688207.db2.gz ILUNYFWITZUJSA-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 687715735 571688232 /nfs/dbraw/zinc/68/82/32/571688232.db2.gz ZUNKBVIUCWHCLJ-NWDGAFQWSA-N 2 0 198.354 2.059 10 0 AEAERP CC[C@H](CC[NH3+])CCC[NH2+][C@@H]1C[C@@H]1C 70611569 571688360 /nfs/dbraw/zinc/68/83/60/571688360.db2.gz HKGYBQPSKRTZPE-SDDRHHMPSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+]C(C)(C)C 70610818 571688404 /nfs/dbraw/zinc/68/84/04/571688404.db2.gz DACWKAPGCBGOOH-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@H](CC[NH3+])CCC[NH+]1CCCC1 70611419 571688430 /nfs/dbraw/zinc/68/84/30/571688430.db2.gz BEAWYGQVEMWJDT-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP C[NH2+]C1(CC[C@@H]2CCCCC[NH2+]2)CC1 213973143 571688553 /nfs/dbraw/zinc/68/85/53/571688553.db2.gz BHEWEJRDESKUBR-NSHDSACASA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@H]1CCC[N@H+](CC[C@@H](C)[NH3+])CC1 70613170 571688582 /nfs/dbraw/zinc/68/85/82/571688582.db2.gz QLFIXIYQGCQIOK-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH3+])CCC[N@@H+]1CCC[C@H]1C 70610802 571688595 /nfs/dbraw/zinc/68/85/95/571688595.db2.gz HXGXWEKHDDMRAI-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH3+])CCC[NH2+]C1CCCC1 70610833 571688627 /nfs/dbraw/zinc/68/86/27/571688627.db2.gz YNWJLWDBMCUFAB-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H]1CCC[N@H+](CCCC[NH3+])CC1 70612931 571688693 /nfs/dbraw/zinc/68/86/93/571688693.db2.gz UKHYTAZEMQVFCV-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP C[NH2+]C1(CC[C@H]2CCCC[N@@H+]2C)CC1 213972926 571688760 /nfs/dbraw/zinc/68/87/60/571688760.db2.gz CNYFWFLQLXBEGJ-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[NH2+]CCC[C@H](C)CC[NH3+] 70610843 571688762 /nfs/dbraw/zinc/68/87/62/571688762.db2.gz SGDDXRKWKVBZTK-NSHDSACASA-N 2 0 186.343 2.141 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[NH2+]CC1CC1 70611530 571688817 /nfs/dbraw/zinc/68/88/17/571688817.db2.gz SJXUKTYLEHETFW-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP C[C@H]1CCC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C 54026814 571688821 /nfs/dbraw/zinc/68/88/21/571688821.db2.gz QLDWXRYTBMNEMF-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[NH2+]CCC[C@H](C)CC[NH3+] 70610826 571688851 /nfs/dbraw/zinc/68/88/51/571688851.db2.gz HIAWZIANOOWYRD-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)[N@@H+](C)CCC[C@@H](C)CC[NH3+] 70610712 571688866 /nfs/dbraw/zinc/68/88/66/571688866.db2.gz ZEVBOBNGAWXLQT-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C 54026813 571688875 /nfs/dbraw/zinc/68/88/75/571688875.db2.gz QLDWXRYTBMNEMF-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CC[N@H+](CC[C@H]([NH3+])C(C)(C)C)C1 54028286 571688895 /nfs/dbraw/zinc/68/88/95/571688895.db2.gz CGLCXGTZJBCWAF-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](CC[NH3+])CCC[NH+](C)C 70612049 571688944 /nfs/dbraw/zinc/68/89/44/571688944.db2.gz CDYUEHWPUOPLQB-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC(C)[C@@H](CC[NH3+])CCC[NH2+]C1CC1 70612698 571688949 /nfs/dbraw/zinc/68/89/49/571688949.db2.gz WSRXOAPAGOHKIK-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[NH+]1CCCC1 70611420 571688953 /nfs/dbraw/zinc/68/89/53/571688953.db2.gz BEAWYGQVEMWJDT-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[NH2+]CCC[C@@H](CC)CC[NH3+] 70611507 571688965 /nfs/dbraw/zinc/68/89/65/571688965.db2.gz VKLXZPBYEQFTQT-LLVKDONJSA-N 2 0 186.343 2.141 10 0 AEAERP CC[NH+](CC)CCC[C@H](C)CC[NH3+] 70610688 571688981 /nfs/dbraw/zinc/68/89/81/571688981.db2.gz GEDCORMJCVOYNY-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@H](CC[NH3+])CCC[NH2+]C1CC1 70612083 571689078 /nfs/dbraw/zinc/68/90/78/571689078.db2.gz QPYVABAPGRSLCE-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1CC[N@H+](CC[C@H]([NH3+])C(C)(C)C)C1 54028288 571689136 /nfs/dbraw/zinc/68/91/36/571689136.db2.gz CGLCXGTZJBCWAF-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]1CCC[N@H+](CCCC[NH3+])CC1 70612932 571689218 /nfs/dbraw/zinc/68/92/18/571689218.db2.gz UKHYTAZEMQVFCV-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP C[C@@H](CC[NH3+])CCC[NH2+][C@H]1CC1(C)C 70610933 571689192 /nfs/dbraw/zinc/68/91/92/571689192.db2.gz KNCFZSYPLALYOX-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H](CC[NH3+])CCC[NH2+]C1CC1 70612697 571689196 /nfs/dbraw/zinc/68/91/96/571689196.db2.gz WSRXOAPAGOHKIK-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1CCC[N@H+](CCC[NH3+])CC1 70612939 571689227 /nfs/dbraw/zinc/68/92/27/571689227.db2.gz FVXPSVOVWJWIHX-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CC[N@H+](CCC[C@@H](C)CC[NH3+])C1CC1 70610734 571689287 /nfs/dbraw/zinc/68/92/87/571689287.db2.gz MTFWOMFSACTKTH-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[N@@H+]1CCCCC[C@@H]1CCC1([NH3+])CC1 213973284 571689297 /nfs/dbraw/zinc/68/92/97/571689297.db2.gz MDJIZBWTSVXNQN-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+]C1CCCC1 70610832 571689310 /nfs/dbraw/zinc/68/93/10/571689310.db2.gz YNWJLWDBMCUFAB-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[N@H+](C)CCC[C@@H](C)CC[NH3+] 70610750 571689314 /nfs/dbraw/zinc/68/93/14/571689314.db2.gz DNXOHSVKLNVIGV-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@@H](C)[NH2+]CCC[C@@H](C)CC[NH3+] 70610824 571689330 /nfs/dbraw/zinc/68/93/30/571689330.db2.gz HIAWZIANOOWYRD-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP C[C@@H](CC[NH3+])CCC[NH2+]C(C)(C)C 70610819 571689450 /nfs/dbraw/zinc/68/94/50/571689450.db2.gz DACWKAPGCBGOOH-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)[N@@H+](C)CCC[C@H](C)CC[NH3+] 70610713 571689476 /nfs/dbraw/zinc/68/94/76/571689476.db2.gz ZEVBOBNGAWXLQT-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](CC[NH3+])CCC[NH2+][C@H]1C[C@@H]1C 70611571 571689582 /nfs/dbraw/zinc/68/95/82/571689582.db2.gz HKGYBQPSKRTZPE-SRVKXCTJSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+]C1(CC[C@@H]2CCCC[N@@H+]2C)CC1 213972860 571689593 /nfs/dbraw/zinc/68/95/93/571689593.db2.gz CNYFWFLQLXBEGJ-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[NH2+][C@H]1C[C@@H]1C 70611572 571689610 /nfs/dbraw/zinc/68/96/10/571689610.db2.gz HKGYBQPSKRTZPE-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+][C@H]1CC1(C)C 70610932 571689613 /nfs/dbraw/zinc/68/96/13/571689613.db2.gz KNCFZSYPLALYOX-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[NH2+]C(C)C 70611512 571689624 /nfs/dbraw/zinc/68/96/24/571689624.db2.gz NRMYWSBXXWSDIT-LLVKDONJSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@H](C)[NH2+]CCC[C@@H](C)CC[NH3+] 70610825 571689663 /nfs/dbraw/zinc/68/96/63/571689663.db2.gz HIAWZIANOOWYRD-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+][C@@H]1CC1(C)C 70610930 571689766 /nfs/dbraw/zinc/68/97/66/571689766.db2.gz KNCFZSYPLALYOX-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H]1CCC[N@H+](CCC[NH3+])CC1 70612940 571689830 /nfs/dbraw/zinc/68/98/30/571689830.db2.gz FVXPSVOVWJWIHX-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[NH2+]CCC[C@H](CC)CC[NH3+] 70611508 571689991 /nfs/dbraw/zinc/68/99/91/571689991.db2.gz VKLXZPBYEQFTQT-NSHDSACASA-N 2 0 186.343 2.141 10 0 AEAERP CC[C@H](CC[NH3+])CCC[NH2+]C(C)C 70611511 571690004 /nfs/dbraw/zinc/69/00/04/571690004.db2.gz NRMYWSBXXWSDIT-NSHDSACASA-N 2 0 186.343 2.140 10 0 AEAERP CCC[N@H+](C)CCC[C@H](C)CC[NH3+] 70610751 571690008 /nfs/dbraw/zinc/69/00/08/571690008.db2.gz DNXOHSVKLNVIGV-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP C[NH2+]C1(CC[C@H]2CCCCC[NH2+]2)CC1 213973199 571690070 /nfs/dbraw/zinc/69/00/70/571690070.db2.gz BHEWEJRDESKUBR-LLVKDONJSA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[N@H+](C)C1CC1 70611456 571690145 /nfs/dbraw/zinc/69/01/45/571690145.db2.gz ILUNYFWITZUJSA-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CC[N@@H+](CCC[C@@H](C)CC[NH3+])C1 70610853 571690171 /nfs/dbraw/zinc/69/01/71/571690171.db2.gz CSUDNDMGVBUMOR-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](CC[NH3+])CCC[NH2+]CC 70612094 571690256 /nfs/dbraw/zinc/69/02/56/571690256.db2.gz UWBWMSYRMNZNDE-LLVKDONJSA-N 2 0 186.343 2.141 10 0 AEAERP C[C@H]1CCC[N@H+]1CCC[C@@H](C)CC[NH3+] 70610803 571690301 /nfs/dbraw/zinc/69/03/01/571690301.db2.gz HXGXWEKHDDMRAI-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCC[N@@H+]([C@@H](C)CC[NH3+])CC1 70612924 571690342 /nfs/dbraw/zinc/69/03/42/571690342.db2.gz GMVLBMGBYJNYOT-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH3+])CCC[N@H+](C)CC1CC1 70610807 571690372 /nfs/dbraw/zinc/69/03/72/571690372.db2.gz RTJBYJJUQHQMIJ-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H]1CCC[N@H+](C[C@@H](C)C[NH3+])CC1 70612935 571690402 /nfs/dbraw/zinc/69/04/02/571690402.db2.gz LPECHMQEOBVZPS-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](CC[NH3+])CCC[N@@H+]1CC[C@@H](C)C1 70610852 571690532 /nfs/dbraw/zinc/69/05/32/571690532.db2.gz CSUDNDMGVBUMOR-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC[NH+](CC)CCC[C@@H](C)CC[NH3+] 70610687 571690549 /nfs/dbraw/zinc/69/05/49/571690549.db2.gz GEDCORMJCVOYNY-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@H](CC[NH3+])CCC[NH2+]CC1CC1 70611529 571690558 /nfs/dbraw/zinc/69/05/58/571690558.db2.gz SJXUKTYLEHETFW-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@@H]1CCC[C@@H]([N@H+](C)CCC[NH3+])C1 70564952 571694171 /nfs/dbraw/zinc/69/41/71/571694171.db2.gz LQUPKFXJJCWDBJ-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]1CCC[C@H]([N@H+](C)CCC[NH3+])C1 70564950 571694358 /nfs/dbraw/zinc/69/43/58/571694358.db2.gz LQUPKFXJJCWDBJ-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CCC[NH3+])[C@@H]1CCC[C@H](C)C1 70564954 571695146 /nfs/dbraw/zinc/69/51/46/571695146.db2.gz QBVJZKJEUZITMT-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@@H+]1CCC[C@@H](CC[C@H](C)[NH3+])C1 250024440 571695336 /nfs/dbraw/zinc/69/53/36/571695336.db2.gz RNDUUKSPSWXTJQ-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CCC[NH3+])[C@H]1CCC[C@H](C)C1 70564955 571695633 /nfs/dbraw/zinc/69/56/33/571695633.db2.gz QBVJZKJEUZITMT-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC[C@H](C)CC[NH3+])C1CC1 393384344 571695709 /nfs/dbraw/zinc/69/57/09/571695709.db2.gz MBPINOVNCLOUGF-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCC[C@H]([N@H+](C)CCC[NH3+])C1 70564951 571695883 /nfs/dbraw/zinc/69/58/83/571695883.db2.gz LQUPKFXJJCWDBJ-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCC[C@@H]([N@H+](C)CCC[NH3+])C1 70564953 571696175 /nfs/dbraw/zinc/69/61/75/571696175.db2.gz LQUPKFXJJCWDBJ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC[C@@H](C)CC[NH3+])C1CC1 393384345 571696645 /nfs/dbraw/zinc/69/66/45/571696645.db2.gz MBPINOVNCLOUGF-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@@H+]1CCCC[C@H]1C[C@H](C)C[NH3+] 250044633 571697068 /nfs/dbraw/zinc/69/70/68/571697068.db2.gz VDNWLVYLTNERDW-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]1 70619888 571697138 /nfs/dbraw/zinc/69/71/38/571697138.db2.gz DLHAPWIXRKLENW-RYUDHWBXSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]1 70619890 571697531 /nfs/dbraw/zinc/69/75/31/571697531.db2.gz DLHAPWIXRKLENW-NWDGAFQWSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]1 70619887 571697631 /nfs/dbraw/zinc/69/76/31/571697631.db2.gz DLHAPWIXRKLENW-NEPJUHHUSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[N@@H+]1CCCC[C@@H]1C[C@H](C)C[NH3+] 250044628 571697946 /nfs/dbraw/zinc/69/79/46/571697946.db2.gz VDNWLVYLTNERDW-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]1 70619889 571698640 /nfs/dbraw/zinc/69/86/40/571698640.db2.gz DLHAPWIXRKLENW-VXGBXAGGSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[N@@H+]1CCC[C@H](CC[C@H](C)[NH3+])C1 250024438 571699242 /nfs/dbraw/zinc/69/92/42/571699242.db2.gz RNDUUKSPSWXTJQ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@@]1(CC)[C@@H]([NH2+]C)CC[N@@H+]1C 712122497 571700193 /nfs/dbraw/zinc/70/01/93/571700193.db2.gz VSZSPANJLIYFSJ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@@H+]1CCCC[C@H]1CC[C@H](C)[NH3+] 250057155 571700282 /nfs/dbraw/zinc/70/02/82/571700282.db2.gz WZXDAVQOYCKEMJ-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC1=CCC[N@@H+](CC[C@H](C)CC[NH3+])C1 393386603 571700787 /nfs/dbraw/zinc/70/07/87/571700787.db2.gz NQJRQRORJHZENF-LLVKDONJSA-N 2 0 196.338 2.013 10 0 AEAERP CC1=CC[N@H+](CC[C@H](C)CC[NH3+])CC1 393386572 571700798 /nfs/dbraw/zinc/70/07/98/571700798.db2.gz NPIHMQZTIVXAIJ-LLVKDONJSA-N 2 0 196.338 2.013 10 0 AEAERP CCC[N@@H+]1CCCC[C@@H]1CC[C@H](C)[NH3+] 250057151 571701587 /nfs/dbraw/zinc/70/15/87/571701587.db2.gz WZXDAVQOYCKEMJ-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC1=CC[N@H+](CC[C@@H](C)CC[NH3+])CC1 393386573 571702621 /nfs/dbraw/zinc/70/26/21/571702621.db2.gz NPIHMQZTIVXAIJ-NSHDSACASA-N 2 0 196.338 2.013 10 0 AEAERP CCCC[C@]1(CC)[C@H]([NH2+]C)CC[N@@H+]1C 712122501 571702635 /nfs/dbraw/zinc/70/26/35/571702635.db2.gz VSZSPANJLIYFSJ-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@@H+]1CCCC[C@H]1C[C@H](C)[NH2+]C 250046799 571702828 /nfs/dbraw/zinc/70/28/28/571702828.db2.gz VJYJYXBQJVUCKC-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H](CC[NH3+])CC[NH2+]C1CCCCC1 393387172 571702919 /nfs/dbraw/zinc/70/29/19/571702919.db2.gz OCGYDLBPBXKEDR-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCCC[C@]1(CC)[C@@H]([NH2+]C)CC[N@@H+]1C 712122491 571703273 /nfs/dbraw/zinc/70/32/73/571703273.db2.gz VSZSPANJLIYFSJ-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H](CC[NH3+])CC[NH2+]C1CCCCC1 393387169 571703555 /nfs/dbraw/zinc/70/35/55/571703555.db2.gz OCGYDLBPBXKEDR-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CCC[N@@H+]1CCCC[C@@H]1C[C@H](C)[NH2+]C 250046792 571703855 /nfs/dbraw/zinc/70/38/55/571703855.db2.gz VJYJYXBQJVUCKC-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@@]1(CC)[C@H]([NH2+]C)CC[N@@H+]1C 712122488 571703867 /nfs/dbraw/zinc/70/38/67/571703867.db2.gz VSZSPANJLIYFSJ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC1=CCC[N@@H+](CC[C@@H](C)CC[NH3+])C1 393386605 571703988 /nfs/dbraw/zinc/70/39/88/571703988.db2.gz NQJRQRORJHZENF-NSHDSACASA-N 2 0 196.338 2.013 10 0 AEAERP CC[C@@H]1CCCCC[N@@H+]1CC[C@@H](C)[NH3+] 108310273 571707453 /nfs/dbraw/zinc/70/74/53/571707453.db2.gz OILWQHNLUFASDW-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]1CCCCC[N@@H+]1C[C@@H](C)C[NH3+] 108310578 571707832 /nfs/dbraw/zinc/70/78/32/571707832.db2.gz YBBLEGHFZVFQMN-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCCCC[N@@H+]1CC[C@@H](C)[NH3+] 108310275 571708145 /nfs/dbraw/zinc/70/81/45/571708145.db2.gz OILWQHNLUFASDW-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H]1CCCCC[N@@H+]1C[C@@H](C)C[NH3+] 108310580 571708767 /nfs/dbraw/zinc/70/87/67/571708767.db2.gz YBBLEGHFZVFQMN-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCCC[N@H+]1CC[C@H](C)CC[NH3+] 393389975 571710095 /nfs/dbraw/zinc/71/00/95/571710095.db2.gz PWCHTIABWMBMPV-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH3+])CC[N@@H+]1CCCC[C@@H]1C 393389981 571711220 /nfs/dbraw/zinc/71/12/20/571711220.db2.gz PWCHTIABWMBMPV-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH3+])CC[N@@H+]1CCCC[C@H]1C 393389978 571711530 /nfs/dbraw/zinc/71/15/30/571711530.db2.gz PWCHTIABWMBMPV-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](CC[NH3+])CC[N@@H+]1CCCC[C@H]1C 393389982 571711916 /nfs/dbraw/zinc/71/19/16/571711916.db2.gz PWCHTIABWMBMPV-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC)CC[C@H](C)CC[NH3+] 393390102 571713521 /nfs/dbraw/zinc/71/35/21/571713521.db2.gz KDGKFAGLHVGPQF-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[N@H+](CC[C@@H](C)CC[NH3+])C(C)C 393389931 571713746 /nfs/dbraw/zinc/71/37/46/571713746.db2.gz JWXZQUGHZWVFRC-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[N@H+](CC[C@H](C)CC[NH3+])C(C)C 393389929 571714631 /nfs/dbraw/zinc/71/46/31/571714631.db2.gz JWXZQUGHZWVFRC-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CC[C@@H](C)CC[NH3+] 393393056 571716752 /nfs/dbraw/zinc/71/67/52/571716752.db2.gz RQXDOCDSSMEOAF-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CC[C@H](C)CC[NH3+] 393393051 571716777 /nfs/dbraw/zinc/71/67/77/571716777.db2.gz RQXDOCDSSMEOAF-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CC[C@H](C)CC[NH3+] 393393057 571717188 /nfs/dbraw/zinc/71/71/88/571717188.db2.gz RQXDOCDSSMEOAF-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CC[C@H]([NH2+]CCC[NH+](C)C)C1 70642798 571717323 /nfs/dbraw/zinc/71/73/23/571717323.db2.gz GAZAJVUSVROBHV-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC)CC[C@@H](C)CC[NH3+] 393390106 571717340 /nfs/dbraw/zinc/71/73/40/571717340.db2.gz KDGKFAGLHVGPQF-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)C1 70642799 571717451 /nfs/dbraw/zinc/71/74/51/571717451.db2.gz GAZAJVUSVROBHV-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[C@H]([NH3+])[C@@H](N)c1ccccc1 95841014 571717921 /nfs/dbraw/zinc/71/79/21/571717921.db2.gz MGBBDKRNTUBWOJ-USWWRNFRSA-N 2 0 192.306 2.060 10 0 AEAERP C[NH2+][C@@H](C)CC[C@@H]1CCCCC[N@@H+]1C 214125170 571720496 /nfs/dbraw/zinc/72/04/96/571720496.db2.gz SWWDYHOBENFVBG-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CC[C@H]([NH2+]CCC[NH+](C)C)C1 70642797 571718362 /nfs/dbraw/zinc/71/83/62/571718362.db2.gz GAZAJVUSVROBHV-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)C1 70642800 571718992 /nfs/dbraw/zinc/71/89/92/571718992.db2.gz GAZAJVUSVROBHV-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CC[C@@H](C)CC[NH3+] 393393054 571719009 /nfs/dbraw/zinc/71/90/09/571719009.db2.gz RQXDOCDSSMEOAF-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CC[C@H]1CCC[N@H+](C)CC1 214126817 571719148 /nfs/dbraw/zinc/71/91/48/571719148.db2.gz NLEJTDNONHYLOP-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@@H](C)CC[C@@H]1CCCC[N@H+](C)C1 214124931 571719332 /nfs/dbraw/zinc/71/93/32/571719332.db2.gz WZRRKIYZGKDYNY-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@H](CCC[NH3+])C1 214124225 571719397 /nfs/dbraw/zinc/71/93/97/571719397.db2.gz BMEYJDFCWKPLDW-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]C(C)(C)CC[C@@H]1CCCC[N@@H+]1C 214125859 571719459 /nfs/dbraw/zinc/71/94/59/571719459.db2.gz RLFAFOUZWGFQTR-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+]C(C)(C)C[C@H]1CCCC[N@H+](C)C1 214125497 571719486 /nfs/dbraw/zinc/71/94/86/571719486.db2.gz WCJCZDGYBSMGTR-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)(C)[NH2+]C[C@@]1(C)CCC[NH2+]CC1 214127169 571719504 /nfs/dbraw/zinc/71/95/04/571719504.db2.gz LOYAQNBNKUJGGF-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+]C(C)(C)CC[C@H]1CCC[N@H+](C)C1 214125775 571719571 /nfs/dbraw/zinc/71/95/71/571719571.db2.gz QZGUTHHXVQOPFW-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C(C)(C)CC[C@@H]1CCCCC[NH2+]1 214126153 571719596 /nfs/dbraw/zinc/71/95/96/571719596.db2.gz MKCXRFYZSVTBFG-NSHDSACASA-N 2 0 198.354 2.297 10 0 AEAERP C[NH2+]C(C)(C)C[C@@H]1CCCC[N@H+](C)C1 214125434 571719599 /nfs/dbraw/zinc/71/95/99/571719599.db2.gz WCJCZDGYBSMGTR-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C(C)(C)CC[C@@H]1CCC[N@H+](C)C1 214125722 571719660 /nfs/dbraw/zinc/71/96/60/571719660.db2.gz QZGUTHHXVQOPFW-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@@H](C)CC[C@H]1CCCCC[N@@H+]1C 214125285 571719667 /nfs/dbraw/zinc/71/96/67/571719667.db2.gz SWWDYHOBENFVBG-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[N@@H+]1CCCCC[C@@H]1CCC[NH3+] 214124497 571719711 /nfs/dbraw/zinc/71/97/11/571719711.db2.gz FHYBZGUMTSBJOK-GFCCVEGCSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]C(C)(C)CC[C@H]1CCC[NH2+]CC1 214126563 571719733 /nfs/dbraw/zinc/71/97/33/571719733.db2.gz HSHGBOUJNOLMHI-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+][C@@H](C)CC[C@@H]1CCC[N@H+](C)CC1 214126647 571719754 /nfs/dbraw/zinc/71/97/54/571719754.db2.gz NLEJTDNONHYLOP-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C(C)(C)CC[C@H]1CCCC[NH2+]C1 214126063 571719882 /nfs/dbraw/zinc/71/98/82/571719882.db2.gz JVCFFYWEOSFTHJ-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+]C(C)(C)C[C@H]1CCCCC[N@@H+]1C 214125643 571719905 /nfs/dbraw/zinc/71/99/05/571719905.db2.gz XNKSMUUMAYUBNK-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+]C(C)(C)C[C@H]1CCC[N@H+](C)CC1 214126332 571719924 /nfs/dbraw/zinc/71/99/24/571719924.db2.gz GCDPLVZZXJPKMN-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CC[C@@H]1CCC[N@H+](C)CC1 214126709 571720005 /nfs/dbraw/zinc/72/00/05/571720005.db2.gz NLEJTDNONHYLOP-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@@H](C)CC[C@H]1CCCC[N@H+](C)C1 214125044 571720128 /nfs/dbraw/zinc/72/01/28/571720128.db2.gz WZRRKIYZGKDYNY-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C(C)(C)CC[C@H]1CCCC[N@@H+]1C 214125920 571720245 /nfs/dbraw/zinc/72/02/45/571720245.db2.gz RLFAFOUZWGFQTR-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+]C(C)(C)CC[C@H]1CCCCC[NH2+]1 214126207 571720313 /nfs/dbraw/zinc/72/03/13/571720313.db2.gz MKCXRFYZSVTBFG-LLVKDONJSA-N 2 0 198.354 2.297 10 0 AEAERP C[C@@H]1C[C@H](C[NH2+]CC(C)(C)C)CC[NH2+]1 235282899 571720322 /nfs/dbraw/zinc/72/03/22/571720322.db2.gz FDTHPQIVIWSORA-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+][C@H](C)CC[C@H]1CCCCC[N@@H+]1C 214125344 571720362 /nfs/dbraw/zinc/72/03/62/571720362.db2.gz SWWDYHOBENFVBG-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)(C)[N@@H+]1CCC[C@@H](CCC[NH3+])C1 214124007 571720451 /nfs/dbraw/zinc/72/04/51/571720451.db2.gz NAAMXWUKRCREKN-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)[N@@H+]1CCCC[C@H]1CCC[NH3+] 214124141 571720487 /nfs/dbraw/zinc/72/04/87/571720487.db2.gz VHSCJQQQWXTINK-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)(C)[N@@H+]1CCC[C@H](CCC[NH3+])C1 214123953 571720592 /nfs/dbraw/zinc/72/05/92/571720592.db2.gz NAAMXWUKRCREKN-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH2+]CC1(C(C)C)CC[NH2+]CC1 214127389 571720620 /nfs/dbraw/zinc/72/06/20/571720620.db2.gz PNOSVMCZWGXNIO-UHFFFAOYSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+][C@H](C)CC[C@H]1CCCC[N@H+](C)C1 214125094 571720622 /nfs/dbraw/zinc/72/06/22/571720622.db2.gz WZRRKIYZGKDYNY-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)(C)[NH2+]C[C@]1(C)CCC[NH2+]CC1 214127219 571720644 /nfs/dbraw/zinc/72/06/44/571720644.db2.gz LOYAQNBNKUJGGF-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[N@@H+]1CCCCC[C@H]1CCC[NH3+] 214124551 571720683 /nfs/dbraw/zinc/72/06/83/571720683.db2.gz FHYBZGUMTSBJOK-LBPRGKRZSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]C(C)(C)C[C@@H]1CCCCC[N@@H+]1C 214125587 571720728 /nfs/dbraw/zinc/72/07/28/571720728.db2.gz XNKSMUUMAYUBNK-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)CC[C@@H]1CCCC[N@H+](C)C1 214124986 571720936 /nfs/dbraw/zinc/72/09/36/571720936.db2.gz WZRRKIYZGKDYNY-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CC[C@@H]1CCCCC[N@@H+]1C 214125228 571720794 /nfs/dbraw/zinc/72/07/94/571720794.db2.gz SWWDYHOBENFVBG-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+]C(C)(C)C[C@@H]1CCC[N@H+](C)CC1 214126275 571720850 /nfs/dbraw/zinc/72/08/50/571720850.db2.gz GCDPLVZZXJPKMN-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@@H](CCC[NH3+])C1 214124277 571720859 /nfs/dbraw/zinc/72/08/59/571720859.db2.gz BMEYJDFCWKPLDW-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)[N@@H+]1CCCC[C@@H]1CCC[NH3+] 214124086 571720881 /nfs/dbraw/zinc/72/08/81/571720881.db2.gz VHSCJQQQWXTINK-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]C(C)(C)CC[C@@H]1CCC[NH2+]CC1 214126504 571720985 /nfs/dbraw/zinc/72/09/85/571720985.db2.gz HSHGBOUJNOLMHI-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+]C(C)(C)CCC1CC[NH+](C)CC1 214126414 571721085 /nfs/dbraw/zinc/72/10/85/571721085.db2.gz ZDFHGSYYLXYBPP-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP C1CC[C@H](CC2=NCCCS2)[NH2+]C1 214123265 571721105 /nfs/dbraw/zinc/72/11/05/571721105.db2.gz YBGVFIRBSIREMT-SECBINFHSA-N 2 0 198.335 2.054 10 0 AEAERP C1CC[C@@H](CC2=NCCCS2)[NH2+]C1 214123205 571721126 /nfs/dbraw/zinc/72/11/26/571721126.db2.gz YBGVFIRBSIREMT-VIFPVBQESA-N 2 0 198.335 2.054 10 0 AEAERP C[NH2+]C(C)(C)CC[C@@H]1CCCC[NH2+]C1 214126006 571721191 /nfs/dbraw/zinc/72/11/91/571721191.db2.gz JVCFFYWEOSFTHJ-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP C[C@H](CC[NH3+])CC[N@@H+]1CCCC1(C)C 393400116 571724416 /nfs/dbraw/zinc/72/44/16/571724416.db2.gz XHQDVSRCYVVNCK-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](CC[NH3+])CC[N@H+](C)[C@H](C)C1CC1 393403625 571727899 /nfs/dbraw/zinc/72/78/99/571727899.db2.gz ZXXUZDWARGYPSM-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH2+]CCC[C@@H](C)CC[NH3+])C1CC1 398157128 571735451 /nfs/dbraw/zinc/73/54/51/571735451.db2.gz DYGMOLZQQRPHSD-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH+](CC)C[C@@]1([NH3+])CCC[C@H](C)C1 70905080 571738687 /nfs/dbraw/zinc/73/86/87/571738687.db2.gz MIJIZLFDMYTCBX-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[NH2+]C[C@@]1([NH3+])CCC[C@@H](C)C1 70906004 571737817 /nfs/dbraw/zinc/73/78/17/571737817.db2.gz DMHONRBOVQXDIA-VXGBXAGGSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](CC[NH3+])[C@@H]1CCCCC[N@@H+]1C 214264758 571737908 /nfs/dbraw/zinc/73/79/08/571737908.db2.gz VXNGMOHNJZYQLX-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[NH2+]C[C@]1([NH3+])CCC[C@H](C)C1 70905859 571737978 /nfs/dbraw/zinc/73/79/78/571737978.db2.gz IABTTZWNISIFER-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](CC[NH3+])[C@H]1CCCCC[N@@H+]1C 214264885 571738242 /nfs/dbraw/zinc/73/82/42/571738242.db2.gz VXNGMOHNJZYQLX-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[NH2+]C[C@]1([NH3+])CCC[C@H](C)C1 70905988 571738271 /nfs/dbraw/zinc/73/82/71/571738271.db2.gz DMHONRBOVQXDIA-RYUDHWBXSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H](CC[NH3+])[C@@H]1CCCCC[N@@H+]1C 214264696 571738727 /nfs/dbraw/zinc/73/87/27/571738727.db2.gz VXNGMOHNJZYQLX-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[NH2+]C[C@]1([NH3+])CCC[C@@H](C)C1 70905999 571738793 /nfs/dbraw/zinc/73/87/93/571738793.db2.gz DMHONRBOVQXDIA-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@]1([NH3+])CCC[C@H](C)C1 70905872 571738811 /nfs/dbraw/zinc/73/88/11/571738811.db2.gz IABTTZWNISIFER-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](CC[NH3+])[C@H]1CCCC[N@H+](C)C1 214263821 571738889 /nfs/dbraw/zinc/73/88/89/571738889.db2.gz BKLMIGPDIDOJSP-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](CC[NH3+])[C@H]1CCCCC[N@@H+]1C 214264819 571738926 /nfs/dbraw/zinc/73/89/26/571738926.db2.gz VXNGMOHNJZYQLX-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[NH2+]C[C@]1([NH3+])CCC[C@@H](C)C1 70905899 571739155 /nfs/dbraw/zinc/73/91/55/571739155.db2.gz BCJJSJLZICNYQJ-NEPJUHHUSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H](CC[NH3+])[C@H]1CCCC[N@@H+]1C 214265917 571741039 /nfs/dbraw/zinc/74/10/39/571741039.db2.gz SKAHQNKDKXYBPM-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](CC[NH3+])[C@H]1CCCC[N@H+](C)C1 214263877 571739258 /nfs/dbraw/zinc/73/92/58/571739258.db2.gz BKLMIGPDIDOJSP-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)C[NH2+]C[C@@]1([NH3+])CCC[C@@H](C)C1 70905892 571739293 /nfs/dbraw/zinc/73/92/93/571739293.db2.gz BCJJSJLZICNYQJ-VXGBXAGGSA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH+](CC)C[C@@]1([NH3+])CCC[C@@H](C)C1 70905091 571739459 /nfs/dbraw/zinc/73/94/59/571739459.db2.gz MIJIZLFDMYTCBX-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C[NH2+]C)[C@@H]1CCCCC[N@@H+]1C 214264971 571739546 /nfs/dbraw/zinc/73/95/46/571739546.db2.gz XIJSETFZOSZSLT-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[NH2+]C[C@]1([NH3+])CCC[C@H](C)C1 70905906 571739731 /nfs/dbraw/zinc/73/97/31/571739731.db2.gz BCJJSJLZICNYQJ-RYUDHWBXSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](CC[NH3+])[C@@H]1CCCC[N@H+](C)C1 214263760 571739885 /nfs/dbraw/zinc/73/98/85/571739885.db2.gz BKLMIGPDIDOJSP-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@H+](C)C[C@@]1([NH3+])CCC[C@H](C)C1 70905451 571739907 /nfs/dbraw/zinc/73/99/07/571739907.db2.gz UDHCYKAKQJRLTJ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[NH2+]C[C@@]1([NH3+])CCC[C@H](C)C1 70905996 571739941 /nfs/dbraw/zinc/73/99/41/571739941.db2.gz DMHONRBOVQXDIA-NWDGAFQWSA-N 2 0 198.354 2.284 10 0 AEAERP CC[NH+](CC)C[C@]1([NH3+])CCC[C@@H](C)C1 70905089 571739999 /nfs/dbraw/zinc/73/99/99/571739999.db2.gz MIJIZLFDMYTCBX-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C)C[C@]1([NH3+])CCC[C@H](C)C1 70905448 571740219 /nfs/dbraw/zinc/74/02/19/571740219.db2.gz UDHCYKAKQJRLTJ-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)C[C@]1([NH3+])CCC[C@H](C)C1 70905076 571740397 /nfs/dbraw/zinc/74/03/97/571740397.db2.gz MIJIZLFDMYTCBX-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](C)CC[C@H](C)CC[NH3+] 393413022 571740531 /nfs/dbraw/zinc/74/05/31/571740531.db2.gz RANSSNWKIVZDJM-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCCC[N@H+](C)CC[C@@H](C)CC[NH3+] 393413023 571740596 /nfs/dbraw/zinc/74/05/96/571740596.db2.gz RANSSNWKIVZDJM-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@H](C[NH2+]C)[C@@H]1CCCCC[N@@H+]1C 214265037 571741205 /nfs/dbraw/zinc/74/12/05/571741205.db2.gz XIJSETFZOSZSLT-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@H](C[NH3+])[C@H]1CCCCC[N@@H+]1C 214265409 571741331 /nfs/dbraw/zinc/74/13/31/571741331.db2.gz IDLWZSHLCGNOLE-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@@H](CC[NH3+])[C@H]1CCCC[N@@H+]1C 214265865 571741622 /nfs/dbraw/zinc/74/16/22/571741622.db2.gz SKAHQNKDKXYBPM-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@@H](C[NH3+])[C@H]1CCCCC[N@@H+]1C 214265349 571741650 /nfs/dbraw/zinc/74/16/50/571741650.db2.gz IDLWZSHLCGNOLE-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](CC[NH3+])[C@@H]1CCCC[N@@H+]1C 214265806 571742031 /nfs/dbraw/zinc/74/20/31/571742031.db2.gz SKAHQNKDKXYBPM-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@@H+]1CC[C@H](C[C@H](C)[NH2+]CC)C1 250076960 571744130 /nfs/dbraw/zinc/74/41/30/571744130.db2.gz ZXJRMDKEVKJBPY-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C[NH2+]C)[C@H]1CCCCC[N@@H+]1C 214265094 571742224 /nfs/dbraw/zinc/74/22/24/571742224.db2.gz XIJSETFZOSZSLT-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@@H](CC[NH3+])[C@@H]1CCCC[N@@H+]1C 214265752 571742546 /nfs/dbraw/zinc/74/25/46/571742546.db2.gz SKAHQNKDKXYBPM-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C[NH2+]C)[C@H]1CCCCC[N@@H+]1C 214265154 571742806 /nfs/dbraw/zinc/74/28/06/571742806.db2.gz XIJSETFZOSZSLT-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@@H](C[NH3+])[C@@H]1CCCCC[N@@H+]1C 214265235 571742979 /nfs/dbraw/zinc/74/29/79/571742979.db2.gz IDLWZSHLCGNOLE-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@@H+]1CC[C@@H](C[C@H](C)[NH2+]CC)C1 250076966 571744247 /nfs/dbraw/zinc/74/42/47/571744247.db2.gz ZXJRMDKEVKJBPY-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[N@H+](C)CC[C@H](C)CC[NH3+] 393421608 571746838 /nfs/dbraw/zinc/74/68/38/571746838.db2.gz VROIDVHJOCXYNW-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H](C)[N@H+](C)CC[C@@H](C)CC[NH3+] 393421623 571746942 /nfs/dbraw/zinc/74/69/42/571746942.db2.gz VROIDVHJOCXYNW-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](C)[N@H+](C)CC[C@@H](C)CC[NH3+] 393421617 571747835 /nfs/dbraw/zinc/74/78/35/571747835.db2.gz VROIDVHJOCXYNW-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](C)[N@H+](C)CC[C@H](C)CC[NH3+] 393421612 571748096 /nfs/dbraw/zinc/74/80/96/571748096.db2.gz VROIDVHJOCXYNW-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[NH2+]CCCCc1c[nH]cn1 13685827 571749413 /nfs/dbraw/zinc/74/94/13/571749413.db2.gz WXQZQMBHXNYUDM-UHFFFAOYSA-N 2 0 195.310 2.122 10 0 AEAERP C[C@H]1C[C@H](C[NH2+]CC(C)(C)C)CC[NH2+]1 235700492 571752279 /nfs/dbraw/zinc/75/22/79/571752279.db2.gz FDTHPQIVIWSORA-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[NH2+]C1CC[NH+](CC(C)C)CC1 37241651 571755074 /nfs/dbraw/zinc/75/50/74/571755074.db2.gz OCNRBKXVAJWPJI-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H](C[NH2+]C(C)(C)C)C(C)C 70797047 571755699 /nfs/dbraw/zinc/75/56/99/571755699.db2.gz SYGPERRFKWBAHA-JTQLQIEISA-N 2 0 186.343 2.009 10 0 AEAERP CC[NH2+][C@H](C[NH2+]C(C)(C)C)C(C)C 70797049 571755878 /nfs/dbraw/zinc/75/58/78/571755878.db2.gz SYGPERRFKWBAHA-SNVBAGLBSA-N 2 0 186.343 2.009 10 0 AEAERP CC(C)C[C@H]([NH3+])/C=C\[C@@H]([NH3+])CC(C)C 16051782 571762129 /nfs/dbraw/zinc/76/21/29/571762129.db2.gz VFJAEXJWQDHRKK-GKKDLHFNSA-N 2 0 198.354 2.289 10 0 AEAERP CC(C)C[C@H]([NH3+])/C=C/[C@@H]([NH3+])CC(C)C 16051783 571762650 /nfs/dbraw/zinc/76/26/50/571762650.db2.gz VFJAEXJWQDHRKK-IEVRTODYSA-N 2 0 198.354 2.289 10 0 AEAERP [NH3+]CCC/C=C/CC/C=C/CCC[NH3+] 38615139 571763775 /nfs/dbraw/zinc/76/37/75/571763775.db2.gz OUGLNWBGUSNCLT-GGWOSOGESA-N 2 0 196.338 2.357 10 0 AEAERP CCCC[NH2+]C/C=C/C[NH2+]CCCC 141863264 571765607 /nfs/dbraw/zinc/76/56/07/571765607.db2.gz COUQGOZOSVVCCR-BQYQJAHWSA-N 2 0 198.354 2.322 10 0 AEAERP CCC1([NH2+]CC[C@@H]2CCC[NH2+]2)CCC1 229504188 571767145 /nfs/dbraw/zinc/76/71/45/571767145.db2.gz LDOUBUSUBXGATD-NSHDSACASA-N 2 0 196.338 2.051 10 0 AEAERP CCC[NH2+][C@@H]1CCCC[C@H]1C[NH+](C)C 26443067 571767747 /nfs/dbraw/zinc/76/77/47/571767747.db2.gz JMBMIRGQVVFLSG-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](C)C 26443062 571769304 /nfs/dbraw/zinc/76/93/04/571769304.db2.gz JMBMIRGQVVFLSG-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CCC[C@@H]([NH3+])c1ccccc1 70953854 571771670 /nfs/dbraw/zinc/77/16/70/571771670.db2.gz TUNQEDZDCTZQCP-GFCCVEGCSA-N 2 0 192.306 2.076 10 0 AEAERP C[NH2+]CCC[NH2+]CC1(C)CCCCC1 234352780 571773636 /nfs/dbraw/zinc/77/36/36/571773636.db2.gz WVMCKWBALPGFSS-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP CC[NH2+]CCC[C@H]([NH3+])c1ccccc1 70953850 571773973 /nfs/dbraw/zinc/77/39/73/571773973.db2.gz TUNQEDZDCTZQCP-LBPRGKRZSA-N 2 0 192.306 2.076 10 0 AEAERP C[NH+](C)[C@H](CCC[NH3+])c1ccccc1 19673828 571774240 /nfs/dbraw/zinc/77/42/40/571774240.db2.gz GFSQCUIKAVPRKQ-GFCCVEGCSA-N 2 0 192.306 2.028 10 0 AEAERP C[NH+](C)[C@@H](CCC[NH3+])c1ccccc1 19673826 571775953 /nfs/dbraw/zinc/77/59/53/571775953.db2.gz GFSQCUIKAVPRKQ-LBPRGKRZSA-N 2 0 192.306 2.028 10 0 AEAERP CC[C@@H]1CC[NH2+][C@H]([C@@](C)([NH3+])C(C)C)C1 687800320 571776869 /nfs/dbraw/zinc/77/68/69/571776869.db2.gz HNRMQPINQORFAB-WOPDTQHZSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1CC[NH2+][C@@H]([C@](C)([NH3+])C(C)C)C1 687800318 571777105 /nfs/dbraw/zinc/77/71/05/571777105.db2.gz HNRMQPINQORFAB-IJLUTSLNSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1CC[NH2+][C@H]([C@](C)([NH3+])C(C)C)C1 687800317 571777377 /nfs/dbraw/zinc/77/73/77/571777377.db2.gz HNRMQPINQORFAB-GRYCIOLGSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1CC[NH2+][C@@H]([C@@](C)([NH3+])C(C)C)C1 687800319 571778264 /nfs/dbraw/zinc/77/82/64/571778264.db2.gz HNRMQPINQORFAB-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H](C)CC1 234356691 571780756 /nfs/dbraw/zinc/78/07/56/571780756.db2.gz DHSGGBMCPZIUAW-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](C)CC1 234356680 571780964 /nfs/dbraw/zinc/78/09/64/571780964.db2.gz DHSGGBMCPZIUAW-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H](C)CC1 234356827 571782922 /nfs/dbraw/zinc/78/29/22/571782922.db2.gz DHSGGBMCPZIUAW-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+]CCC[NH2+][C@H]1CCC[C@H](C)CC1 234356839 571782967 /nfs/dbraw/zinc/78/29/67/571782967.db2.gz DHSGGBMCPZIUAW-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@H](C)[C@H]([NH3+])C[NH+]1CCC(C)CC1 39140980 571783717 /nfs/dbraw/zinc/78/37/17/571783717.db2.gz FQLHSGJZTVESJB-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[C@H]([NH3+])C[NH+]1CCC(C)CC1 39140983 571784946 /nfs/dbraw/zinc/78/49/46/571784946.db2.gz FQLHSGJZTVESJB-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 251399997 571787137 /nfs/dbraw/zinc/78/71/37/571787137.db2.gz ZQCXGWAVAFKKRC-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1CC[C@H]([NH2+]C)C[C@H]1C 249857673 571792042 /nfs/dbraw/zinc/79/20/42/571792042.db2.gz UTHVGPIGXWBNFG-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](CC(C)C)C[C@@H]1CCC[C@H]1[NH3+] 249842505 571792613 /nfs/dbraw/zinc/79/26/13/571792613.db2.gz UCBJSEKYLDMTHI-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](C[C@H]1CCCC[C@H]1[NH3+])C(C)C 249810101 571792636 /nfs/dbraw/zinc/79/26/36/571792636.db2.gz GNHPDFYLMCWHEP-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](C[C@@H]1CCC[C@H]1[NH3+])C(C)C 249949488 571793032 /nfs/dbraw/zinc/79/30/32/571793032.db2.gz ICMHRDNMUDSSCO-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[N@H+](CC)C[C@H]1CCC[C@H]1[NH3+] 249809005 571793280 /nfs/dbraw/zinc/79/32/80/571793280.db2.gz PHATWLHTWVPTBJ-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](CC)C[C@@H]1CCC[C@H]1[NH3+] 249809002 571793825 /nfs/dbraw/zinc/79/38/25/571793825.db2.gz PHATWLHTWVPTBJ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](C[C@@H]1CCC[C@H]1[NH2+]C)C(C)C 249847552 571793868 /nfs/dbraw/zinc/79/38/68/571793868.db2.gz WJLFQADUAOHWJK-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1C 249678869 571794135 /nfs/dbraw/zinc/79/41/35/571794135.db2.gz PPIZZBKRVOZPFH-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](C[C@@H]1CCCC[C@H]1[NH3+])C(C)C 249810093 571794322 /nfs/dbraw/zinc/79/43/22/571794322.db2.gz GNHPDFYLMCWHEP-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+](CC)C[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 249965443 571794465 /nfs/dbraw/zinc/79/44/65/571794465.db2.gz NNLAHAAHQBACNP-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)CC)C1 249673463 571794770 /nfs/dbraw/zinc/79/47/70/571794770.db2.gz AXADVIOQNAXBEB-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H]([NH2+]C)C[C@H]1C 249857679 571794849 /nfs/dbraw/zinc/79/48/49/571794849.db2.gz UTHVGPIGXWBNFG-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](CC)C[C@H]1CCCC[C@H]1[NH3+] 249963826 571794970 /nfs/dbraw/zinc/79/49/70/571794970.db2.gz JWNVLFSWGZWXNB-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[N@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 249862435 571794991 /nfs/dbraw/zinc/79/49/91/571794991.db2.gz WPXGIYWKLWHPDL-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC)C[C@H]1CCC[C@H]1[NH2+]C 249869697 571795011 /nfs/dbraw/zinc/79/50/11/571795011.db2.gz CGVZWNQLXZRJHS-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+]C[C@H]1CC[N@@H+]([C@H](C)CC)C1 249673465 571795470 /nfs/dbraw/zinc/79/54/70/571795470.db2.gz AXADVIOQNAXBEB-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](C[C@H]1CCC[C@H]1[NH3+])C(C)C 249949492 571795874 /nfs/dbraw/zinc/79/58/74/571795874.db2.gz ICMHRDNMUDSSCO-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+](CC)C[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 249965449 571795991 /nfs/dbraw/zinc/79/59/91/571795991.db2.gz NNLAHAAHQBACNP-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](C)C[C@H]1CCC[C@H]1[NH2+]C 249795056 571796033 /nfs/dbraw/zinc/79/60/33/571796033.db2.gz LJJNGKSNBUCLLR-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)C[C@H]1CCC[C@H]1[NH3+] 249862436 571796058 /nfs/dbraw/zinc/79/60/58/571796058.db2.gz WPXGIYWKLWHPDL-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CC(C)C)C[C@H]1CCC[C@H]1[NH3+] 249842506 571796290 /nfs/dbraw/zinc/79/62/90/571796290.db2.gz UCBJSEKYLDMTHI-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH2+]C[C@@H](C)C[N@@H+]1CCCC[C@H]1C 250669707 571796814 /nfs/dbraw/zinc/79/68/14/571796814.db2.gz SGKPSFXFWZCHEV-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C[C@H]1CCC[C@H]1[NH2+]C)C(C)C 249847553 571796830 /nfs/dbraw/zinc/79/68/30/571796830.db2.gz WJLFQADUAOHWJK-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C 249797837 571797220 /nfs/dbraw/zinc/79/72/20/571797220.db2.gz MFXZESSHPBONFC-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+]C[C@H](C)C[N@@H+]1CCCC[C@H]1C 250669705 571797242 /nfs/dbraw/zinc/79/72/42/571797242.db2.gz SGKPSFXFWZCHEV-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC)C[C@@H]1CCCC[C@H]1[NH3+] 249963820 571797318 /nfs/dbraw/zinc/79/73/18/571797318.db2.gz JWNVLFSWGZWXNB-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)([NH3+])c1ccc(C(C)(C)[NH3+])cc1 116895048 571797659 /nfs/dbraw/zinc/79/76/59/571797659.db2.gz RVFIGBAOCZSFKC-UHFFFAOYSA-N 2 0 192.306 2.074 10 0 AEAERP C[N@H+](C[C@@H]1CCC[C@H]1[NH3+])CC(C)(C)C 250681256 571797989 /nfs/dbraw/zinc/79/79/89/571797989.db2.gz DTHSWDFBLNKDGP-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CC[N@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 250589878 571798005 /nfs/dbraw/zinc/79/80/05/571798005.db2.gz JZJPAQFDVMBWGQ-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 251097298 571798309 /nfs/dbraw/zinc/79/83/09/571798309.db2.gz CPAYSUNVKYHLQF-WOPDTQHZSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@H]1C[N@H+](CC=C(C)C)CCC[NH2+]1 234191905 571798415 /nfs/dbraw/zinc/79/84/15/571798415.db2.gz BKFBCYUSXRBZOZ-LBPRGKRZSA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)C[N@H+](C)[C@H]1CCCC[C@H]1C[NH3+] 250544073 571798525 /nfs/dbraw/zinc/79/85/25/571798525.db2.gz CUKKYGPMSCTJHK-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H](C[N@@H+]1CCC[C@H]1CC)[NH2+]C 251099463 571798719 /nfs/dbraw/zinc/79/87/19/571798719.db2.gz DDKPELBZFWLOIW-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[N@H+](C)C[C@@H]1CCCC[C@H]1[NH3+] 250591291 571798732 /nfs/dbraw/zinc/79/87/32/571798732.db2.gz KWMCKKHFODQBMI-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C 250772437 571799038 /nfs/dbraw/zinc/79/90/38/571799038.db2.gz HJWQUFFEFYIFIK-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@H+](C)C[C@H]1CCCC[C@H]1[NH3+] 250591294 571799637 /nfs/dbraw/zinc/79/96/37/571799637.db2.gz KWMCKKHFODQBMI-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C 250772435 571799726 /nfs/dbraw/zinc/79/97/26/571799726.db2.gz HJWQUFFEFYIFIK-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@H+](C)[C@@H]1CCCC[C@H]1C[NH3+] 250544066 571800898 /nfs/dbraw/zinc/80/08/98/571800898.db2.gz CUKKYGPMSCTJHK-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@@H]1CCC[C@H]1C[NH3+] 250707518 571800471 /nfs/dbraw/zinc/80/04/71/571800471.db2.gz QNZYYVIRHRLLFG-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH2+]C[C@H](C)C[N@@H+]1CCC[C@H]1C 250731313 571800499 /nfs/dbraw/zinc/80/04/99/571800499.db2.gz BTIJDCXBNSPTLC-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@H+](C)[C@@H]1CCC[C@H]1C[NH3+] 250611179 571800507 /nfs/dbraw/zinc/80/05/07/571800507.db2.gz ZYQBZLIMECDQMA-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(CC)[N@@H+]1CC[C@@H]([NH2+]C)C[C@H]1C 250740533 571800518 /nfs/dbraw/zinc/80/05/18/571800518.db2.gz NUYUHFWWODWEEG-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 251097295 571800561 /nfs/dbraw/zinc/80/05/61/571800561.db2.gz CPAYSUNVKYHLQF-UTUOFQBUSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[NH2+]C[C@@H](C)C[N@@H+]1CCC[C@H]1C 250731316 571800721 /nfs/dbraw/zinc/80/07/21/571800721.db2.gz BTIJDCXBNSPTLC-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@H+](C)[C@H]1CCC[C@H]1C[NH3+] 250611182 571800804 /nfs/dbraw/zinc/80/08/04/571800804.db2.gz ZYQBZLIMECDQMA-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH2+]C[C@H](CC)[N@@H+]1CCC[C@H]1C 250726675 571800844 /nfs/dbraw/zinc/80/08/44/571800844.db2.gz BENMHDILPRXUEF-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@H]1CCC[C@H]1C[NH3+] 250707513 571801605 /nfs/dbraw/zinc/80/16/05/571801605.db2.gz QNZYYVIRHRLLFG-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH2+]C[C@@H](CC)[N@@H+]1CCC[C@H]1C 250726677 571801636 /nfs/dbraw/zinc/80/16/36/571801636.db2.gz BENMHDILPRXUEF-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C[N@@H+]1CCC[C@H]1CC)[NH2+]C 251099466 571801664 /nfs/dbraw/zinc/80/16/64/571801664.db2.gz DDKPELBZFWLOIW-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C)C[C@H]1C 250740535 571801706 /nfs/dbraw/zinc/80/17/06/571801706.db2.gz NUYUHFWWODWEEG-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)CC[N@H+](C)C[C@H]1CCC[C@H]1[NH3+] 250589879 571801777 /nfs/dbraw/zinc/80/17/77/571801777.db2.gz JZJPAQFDVMBWGQ-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CCCCCC[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 250829006 571805980 /nfs/dbraw/zinc/80/59/80/571805980.db2.gz PHKXPPFHLWMQTQ-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](CC[NH3+])[N@@H+]1CCC[C@@H](C)[C@H]1C 251048954 571803561 /nfs/dbraw/zinc/80/35/61/571803561.db2.gz FQSQIKKWQFXVSW-IJLUTSLNSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](CC[NH3+])[N@@H+]1CCC[C@H](C)[C@H]1C 251048959 571803874 /nfs/dbraw/zinc/80/38/74/571803874.db2.gz FQSQIKKWQFXVSW-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C[NH2+]C(C)C)[N@@H+]1CCC[C@H]1C 251113311 571804280 /nfs/dbraw/zinc/80/42/80/571804280.db2.gz UVEILAGKGVTGBU-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP Cn1cncc1[C@@H]([NH3+])CCC(C)(C)C 74243050 571805079 /nfs/dbraw/zinc/80/50/79/571805079.db2.gz XUNIAYNQTCIIMK-VIFPVBQESA-N 2 0 195.310 2.246 10 0 AEAERP CCCC[N@@H+]1CC[C@@H]([NH+](C)C)[C@H](C)C1 73654217 571805665 /nfs/dbraw/zinc/80/56/65/571805665.db2.gz VCOBNEWZLNBBJA-VXGBXAGGSA-N 2 0 198.354 2.059 10 0 AEAERP Cn1cncc1[C@H]([NH3+])CCC(C)(C)C 74243051 571805696 /nfs/dbraw/zinc/80/56/96/571805696.db2.gz XUNIAYNQTCIIMK-SECBINFHSA-N 2 0 195.310 2.246 10 0 AEAERP CCCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 251260277 571809431 /nfs/dbraw/zinc/80/94/31/571809431.db2.gz BVFZNABECZYVRM-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[N@@H+]1CC[C@H]([NH+](C)C)[C@H](C)C1 73654214 571806501 /nfs/dbraw/zinc/80/65/01/571806501.db2.gz VCOBNEWZLNBBJA-NEPJUHHUSA-N 2 0 198.354 2.059 10 0 AEAERP CCCCCC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 250829005 571806523 /nfs/dbraw/zinc/80/65/23/571806523.db2.gz PHKXPPFHLWMQTQ-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H](C[NH2+]C(C)C)[N@@H+]1CCC[C@H]1C 251113307 571806558 /nfs/dbraw/zinc/80/65/58/571806558.db2.gz UVEILAGKGVTGBU-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[N@@H+]1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 73653958 571806925 /nfs/dbraw/zinc/80/69/25/571806925.db2.gz ADZNRKNRYPYLKP-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)C[C@@H]1C 73655913 571807383 /nfs/dbraw/zinc/80/73/83/571807383.db2.gz IIGIBZRCIARKKG-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+]CCC[C@@H](C)[N@H+](C)[C@H](C)C1CC1 251248093 571807507 /nfs/dbraw/zinc/80/75/07/571807507.db2.gz TZTRDGMBWQHCTN-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@@H+]1CC[C@H]([NH+](C)C)C[C@@H]1C 73656382 571807644 /nfs/dbraw/zinc/80/76/44/571807644.db2.gz ATOCDUWIRQHKJB-RYUDHWBXSA-N 2 0 198.354 2.057 10 0 AEAERP CCCC[N@@H+]1CC[C@H]([NH+](C)C)C[C@@H]1C 73656128 571807934 /nfs/dbraw/zinc/80/79/34/571807934.db2.gz VURIISBOLQBVAB-RYUDHWBXSA-N 2 0 198.354 2.201 10 0 AEAERP CC[C@](C)(C[NH3+])C[N@@H+]1CCCC[C@H]1C 251216868 571807948 /nfs/dbraw/zinc/80/79/48/571807948.db2.gz FIDPGIGHXCMRHM-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[N@@H+]1CC[C@@H]([NH+](C)C)C[C@H]1C 73656372 571808028 /nfs/dbraw/zinc/80/80/28/571808028.db2.gz ATOCDUWIRQHKJB-VXGBXAGGSA-N 2 0 198.354 2.057 10 0 AEAERP CCCC[N@@H+]1CC[C@@H]([NH+](C)C)C[C@@H]1C 73656130 571808165 /nfs/dbraw/zinc/80/81/65/571808165.db2.gz VURIISBOLQBVAB-NWDGAFQWSA-N 2 0 198.354 2.201 10 0 AEAERP CCC[N@@H+]1CC[C@H]([NH2+]C2CC2)C[C@@H]1C 73655910 571808623 /nfs/dbraw/zinc/80/86/23/571808623.db2.gz IIGIBZRCIARKKG-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)C[N@@H+]1CC[C@@H]([NH+](C)C)C[C@@H]1C 73656377 571808752 /nfs/dbraw/zinc/80/87/52/571808752.db2.gz ATOCDUWIRQHKJB-NWDGAFQWSA-N 2 0 198.354 2.057 10 0 AEAERP CC(C)C[N@@H+]1CC[C@H]([NH+](C)C)C[C@H]1C 73656379 571808877 /nfs/dbraw/zinc/80/88/77/571808877.db2.gz ATOCDUWIRQHKJB-NEPJUHHUSA-N 2 0 198.354 2.057 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(C)(C)C 251231151 571808885 /nfs/dbraw/zinc/80/88/85/571808885.db2.gz QHBMPSCAYFVZOJ-VHSXEESVSA-N 2 0 186.343 2.090 10 0 AEAERP CCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251260274 571808909 /nfs/dbraw/zinc/80/89/09/571808909.db2.gz BVFZNABECZYVRM-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](CC[NH3+])[N@H+](C)[C@H](C)C(C)(C)C 251216186 571811496 /nfs/dbraw/zinc/81/14/96/571811496.db2.gz NHTJPXSAQNFMGP-VHSXEESVSA-N 2 0 186.343 2.090 10 0 AEAERP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+]1CCC[C@H]1C 251203752 571809163 /nfs/dbraw/zinc/80/91/63/571809163.db2.gz CIFLCKHXHZALAU-IJLUTSLNSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+]CCC[C@H](C)[N@H+](C)[C@H](C)C1CC1 251248094 571809511 /nfs/dbraw/zinc/80/95/11/571809511.db2.gz TZTRDGMBWQHCTN-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]([NH3+])CCCC[N@H+](C)[C@H](C)C1CC1 251205657 571809542 /nfs/dbraw/zinc/80/95/42/571809542.db2.gz LKWRPHSXWFLPRK-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@H]1CCCC[N@H+]1CC[C@H](C)[NH3+] 251265669 571809932 /nfs/dbraw/zinc/80/99/32/571809932.db2.gz APHGFQLVLXCDBJ-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](CC[NH3+])[N@H+](C)[C@H](C)C(C)(C)C 251216183 571809991 /nfs/dbraw/zinc/80/99/91/571809991.db2.gz NHTJPXSAQNFMGP-NXEZZACHSA-N 2 0 186.343 2.090 10 0 AEAERP C[NH2+][C@@H](C)CCC[N@H+](C)[C@H](C)C1CC1 251204447 571810529 /nfs/dbraw/zinc/81/05/29/571810529.db2.gz LIXJCPUVQZFZMD-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@](C)(C[NH2+]C)C[N@@H+]1CCC[C@H]1C 251244612 571811046 /nfs/dbraw/zinc/81/10/46/571811046.db2.gz JGTDHFZDHOQINZ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@](C)(C[NH2+]C)C[N@@H+]1CCC[C@H]1C 251244607 571811068 /nfs/dbraw/zinc/81/10/68/571811068.db2.gz JGTDHFZDHOQINZ-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]([NH3+])CCCC[N@H+](C)[C@H](C)C1CC1 251205659 571811283 /nfs/dbraw/zinc/81/12/83/571811283.db2.gz LKWRPHSXWFLPRK-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+][C@H](CC)[C@H](C)[N@@H+]1CCC[C@H]1C 251203748 571811630 /nfs/dbraw/zinc/81/16/30/571811630.db2.gz CIFLCKHXHZALAU-GRYCIOLGSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@H](C)CCC[N@H+](C)[C@H](C)C1CC1 251204445 571812052 /nfs/dbraw/zinc/81/20/52/571812052.db2.gz LIXJCPUVQZFZMD-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH+](C)CC[C@@H]([NH3+])CCC(C)(C)C 74279792 571812430 /nfs/dbraw/zinc/81/24/30/571812430.db2.gz ONPJFMRSXAJZPF-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@](C)(C[NH3+])C[N@@H+]1CCCC[C@H]1C 251216865 571812452 /nfs/dbraw/zinc/81/24/52/571812452.db2.gz FIDPGIGHXCMRHM-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH+](C)CC[C@H]([NH3+])CCC(C)(C)C 74279793 571813251 /nfs/dbraw/zinc/81/32/51/571813251.db2.gz ONPJFMRSXAJZPF-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H]1CCC[N@@H+]1[C@H](C)CCC[NH2+]C 251665190 571813593 /nfs/dbraw/zinc/81/35/93/571813593.db2.gz HFVZYKDVLGJVKR-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)[C@H](C)CC[NH3+] 251431872 571813631 /nfs/dbraw/zinc/81/36/31/571813631.db2.gz SFVJDJLIZHMQRC-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]1 251334465 571813656 /nfs/dbraw/zinc/81/36/56/571813656.db2.gz PBDZVNXFZJWRTM-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@](C)(C[NH3+])C[N@@H+]1CCC[C@H]1C 251387946 571813668 /nfs/dbraw/zinc/81/36/68/571813668.db2.gz XIFIDSVEYUTYDW-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)[C@H](C)CCC[NH3+] 251295743 571813785 /nfs/dbraw/zinc/81/37/85/571813785.db2.gz HEKLGDVNPMMDNS-GHMZBOCLSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CCC[C@H](C)[NH3+] 251349908 571813993 /nfs/dbraw/zinc/81/39/93/571813993.db2.gz SARLYPPZMUOLTO-WDEREUQCSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]1 251334468 571814122 /nfs/dbraw/zinc/81/41/22/571814122.db2.gz PBDZVNXFZJWRTM-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]1[NH2+]C 251525451 571814178 /nfs/dbraw/zinc/81/41/78/571814178.db2.gz AKGCVLJBRJMBMT-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[C@@H](C)[N@H+](C)[C@H](C)CC[NH3+] 251431870 571814286 /nfs/dbraw/zinc/81/42/86/571814286.db2.gz SFVJDJLIZHMQRC-GHMZBOCLSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)[NH2+]CC[C@@H](C)[N@@H+]1CC[C@H](C)C1 251530584 571814292 /nfs/dbraw/zinc/81/42/92/571814292.db2.gz ASZBRGKFWINEIW-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@H+](CCC[NH+](C)C)C1CC1 687802134 571814332 /nfs/dbraw/zinc/81/43/32/571814332.db2.gz UJXABONZYZNNTG-UHFFFAOYSA-N 2 0 198.354 2.059 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H]1[NH2+]C 251525439 571814370 /nfs/dbraw/zinc/81/43/70/571814370.db2.gz AKGCVLJBRJMBMT-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@](C)(C[NH3+])C[N@H+](C)[C@H](C)C1CC1 251378059 571814484 /nfs/dbraw/zinc/81/44/84/571814484.db2.gz ZNWQLGFYKSBTKE-ZYHUDNBSSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CCC[C@H](C)[NH3+] 251349906 571814584 /nfs/dbraw/zinc/81/45/84/571814584.db2.gz SARLYPPZMUOLTO-QWRGUYRKSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CCC[C@H](C)[NH3+] 251345302 571814756 /nfs/dbraw/zinc/81/47/56/571814756.db2.gz PMIFDOJTRVIYEH-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 251325783 571815702 /nfs/dbraw/zinc/81/57/02/571815702.db2.gz MNQLEFBRXNGZAN-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 251343832 571814892 /nfs/dbraw/zinc/81/48/92/571814892.db2.gz QTZDWEXUNSVOSI-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@H](C)[N@H+](C)CCC[C@H](C)[NH3+] 251345301 571817353 /nfs/dbraw/zinc/81/73/53/571817353.db2.gz PMIFDOJTRVIYEH-QWRGUYRKSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 251343829 571815080 /nfs/dbraw/zinc/81/50/80/571815080.db2.gz QTZDWEXUNSVOSI-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@H](C)CCC[NH2+]C 251665193 571815132 /nfs/dbraw/zinc/81/51/32/571815132.db2.gz HFVZYKDVLGJVKR-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[N@@H+]1CC[C@@H]([NH2+]C)C[C@H]1C 251349704 571815165 /nfs/dbraw/zinc/81/51/65/571815165.db2.gz QIWYRGXAYABOGZ-QJPTWQEYSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@H](C)CCC[NH3+] 251328840 571815345 /nfs/dbraw/zinc/81/53/45/571815345.db2.gz NANODOWAGGAJNL-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)CC[C@H](C)[NH3+] 251384818 571815448 /nfs/dbraw/zinc/81/54/48/571815448.db2.gz IJSVWIOQQPDXHD-QWRGUYRKSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]1 251345457 571815606 /nfs/dbraw/zinc/81/56/06/571815606.db2.gz PNWNJUVLHMBOMC-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 251325787 571815681 /nfs/dbraw/zinc/81/56/81/571815681.db2.gz MNQLEFBRXNGZAN-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@H](C)CC[NH2+]C 251354199 571816043 /nfs/dbraw/zinc/81/60/43/571816043.db2.gz RFQQOGGVUBZCJS-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC(C)C[C@@H](C)[N@H+](C)[C@H](C)CC(N)=[NH2+] 251386878 571816288 /nfs/dbraw/zinc/81/62/88/571816288.db2.gz IWVHFUVBMUBOKW-NXEZZACHSA-N 2 0 199.342 2.067 10 0 AEAERP CCC[C@H](C)[N@@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 251397057 571816327 /nfs/dbraw/zinc/81/63/27/571816327.db2.gz ZESBHJLUIUIZLN-GRYCIOLGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[N@@H+]1CCC[C@H]1C 251387945 571816414 /nfs/dbraw/zinc/81/64/14/571816414.db2.gz XIFIDSVEYUTYDW-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)C[C@H]1C 251349705 571816480 /nfs/dbraw/zinc/81/64/80/571816480.db2.gz QIWYRGXAYABOGZ-TUAOUCFPSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@H]1CCC[C@H]1[NH2+]C 251525427 571816501 /nfs/dbraw/zinc/81/65/01/571816501.db2.gz AKGCVLJBRJMBMT-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@H](C)[N@H+](C)CC[C@H](C)[NH2+]C 251359452 571816696 /nfs/dbraw/zinc/81/66/96/571816696.db2.gz RZNCFCOJAKCOEP-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP CC(C)C[C@@H](C)[N@H+](C)CC[C@H](C)[NH3+] 251384821 571816765 /nfs/dbraw/zinc/81/67/65/571816765.db2.gz IJSVWIOQQPDXHD-WDEREUQCSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@H]1CCCN1C[C@@H]1CCCC[NH2+]1 37914168 571816816 /nfs/dbraw/zinc/81/68/16/571816816.db2.gz CZJMPZXNCLVZJR-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@H]1CCC[C@H]1[NH3+] 251325779 571816938 /nfs/dbraw/zinc/81/69/38/571816938.db2.gz MNQLEFBRXNGZAN-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)[C@@H](C)C1 251397059 571817009 /nfs/dbraw/zinc/81/70/09/571817009.db2.gz ZESBHJLUIUIZLN-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CC[C@H](C)[NH2+]C 251359455 571817195 /nfs/dbraw/zinc/81/71/95/571817195.db2.gz RZNCFCOJAKCOEP-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@H](C)CCC[NH3+] 251328844 571817375 /nfs/dbraw/zinc/81/73/75/571817375.db2.gz NANODOWAGGAJNL-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H]1CCCN1C[C@@H]1CCCC[NH2+]1 37914167 571817420 /nfs/dbraw/zinc/81/74/20/571817420.db2.gz CZJMPZXNCLVZJR-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 251351677 571817464 /nfs/dbraw/zinc/81/74/64/571817464.db2.gz NXHOTWZVAQZLKC-TUAOUCFPSA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@H](C)CCC[NH3+] 251296764 571817480 /nfs/dbraw/zinc/81/74/80/571817480.db2.gz HEKLGDVNPMMDNS-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP CCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 251351671 571817530 /nfs/dbraw/zinc/81/75/30/571817530.db2.gz NXHOTWZVAQZLKC-QJPTWQEYSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CCC[C@H](C)[NH2+]C 251694714 571821609 /nfs/dbraw/zinc/82/16/09/571821609.db2.gz IOFHPLDBEHSFNG-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCCC[C@H]1C 251606235 571817970 /nfs/dbraw/zinc/81/79/70/571817970.db2.gz BWZXDSQSUXJHBZ-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1CCC[C@H](C)[NH3+] 251712551 571818701 /nfs/dbraw/zinc/81/87/01/571818701.db2.gz JPLHUAJHEBLXJD-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1CCC[C@H](C)[NH3+] 251712554 571819203 /nfs/dbraw/zinc/81/92/03/571819203.db2.gz JPLHUAJHEBLXJD-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]1CCC[N@H+](CCC[C@H](C)[NH3+])C1 251660875 571819214 /nfs/dbraw/zinc/81/92/14/571819214.db2.gz HANRWHZQEQLBDL-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1C[C@H](C)C[NH2+]C 251712352 571819253 /nfs/dbraw/zinc/81/92/53/571819253.db2.gz JOKLCBSGOHGTLN-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CCC[N@H+](CCC[C@H](C)[NH3+])C1 251660880 571819309 /nfs/dbraw/zinc/81/93/09/571819309.db2.gz HANRWHZQEQLBDL-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCCC[C@H]1CC[NH2+]C 251714442 571819330 /nfs/dbraw/zinc/81/93/30/571819330.db2.gz DMZXBNXJJVRONL-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]1CCC[C@H]([N@@H+](C)[C@H](C)CC[NH3+])C1 251600907 571819351 /nfs/dbraw/zinc/81/93/51/571819351.db2.gz CRRLZXIETKCDHF-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCCC[C@H]1C 251606231 571819377 /nfs/dbraw/zinc/81/93/77/571819377.db2.gz BWZXDSQSUXJHBZ-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@@H+]1CCCC[C@H]1CC[NH2+]C 251714445 571819576 /nfs/dbraw/zinc/81/95/76/571819576.db2.gz DMZXBNXJJVRONL-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C/C=C/C[N@H+]1C[C@H](CC)[NH2+]CC[C@@H]1C 234204947 571819595 /nfs/dbraw/zinc/81/95/95/571819595.db2.gz SODOUCBNUNORGB-JZYUNNQISA-N 2 0 196.338 2.025 10 0 AEAERP CC[C@H]1CCC[N@H+](CC[C@H](C)[NH2+]C)C1 251847579 571824231 /nfs/dbraw/zinc/82/42/31/571824231.db2.gz RKUOZRNEVLJGON-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](C)C[NH3+] 251606237 571820179 /nfs/dbraw/zinc/82/01/79/571820179.db2.gz BWZXDSQSUXJHBZ-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)[N@H+](C)C[C@](C)(CC)C[NH3+] 251783078 571820263 /nfs/dbraw/zinc/82/02/63/571820263.db2.gz JFEPISCWKYXPED-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCCC[C@H]1C 252104855 571824795 /nfs/dbraw/zinc/82/47/95/571824795.db2.gz GVJPMTMOYUOBSF-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1C[C@H](C)C[NH2+]C 251712353 571820313 /nfs/dbraw/zinc/82/03/13/571820313.db2.gz JOKLCBSGOHGTLN-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]1 251654961 571820337 /nfs/dbraw/zinc/82/03/37/571820337.db2.gz GRJJDSOWZIUTNU-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+]CC[C@@H](C)[N@H+](C)[C@H](C)CC 251729567 571820409 /nfs/dbraw/zinc/82/04/09/571820409.db2.gz FLJLJMKAFVNYFL-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@@H]1CCC[N@H+](C[C@H](C)C[NH3+])CC1 251755297 571820471 /nfs/dbraw/zinc/82/04/71/571820471.db2.gz LPECHMQEOBVZPS-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1CC[C@H](C)[NH2+]C 251589740 571821536 /nfs/dbraw/zinc/82/15/36/571821536.db2.gz CPRMXQYVYOQXNY-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H](CC(N)=[NH2+])[N@H+](C)[C@H](C)C(C)(C)C 251709400 571821125 /nfs/dbraw/zinc/82/11/25/571821125.db2.gz YCILJYAFWOWQGJ-DTWKUNHWSA-N 2 0 199.342 2.067 10 0 AEAERP CC[NH2+]C[C@@H](C)C[N@@H+]1CCC[C@H]1CC 251614180 571821145 /nfs/dbraw/zinc/82/11/45/571821145.db2.gz DRSDHNLGTRAAKP-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCC[C@H]1CC 251546964 571821343 /nfs/dbraw/zinc/82/13/43/571821343.db2.gz AYMQFIBHMKJTNW-IJLUTSLNSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CCC[C@H](C)[NH2+]C 251694710 571821576 /nfs/dbraw/zinc/82/15/76/571821576.db2.gz IOFHPLDBEHSFNG-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 251921125 571824193 /nfs/dbraw/zinc/82/41/93/571824193.db2.gz QEDCCCNRPNLPSU-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H](C)[C@@H]1C 251609918 571821719 /nfs/dbraw/zinc/82/17/19/571821719.db2.gz CBFBMFQEJAVIBQ-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1CCC[N@@H+]([C@H](C)CCC[NH3+])C1 251579835 571821740 /nfs/dbraw/zinc/82/17/40/571821740.db2.gz CGTXXMZOERCGQD-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)C[N@H+](C)CCC[C@H](C)[NH3+] 251765927 571821783 /nfs/dbraw/zinc/82/17/83/571821783.db2.gz HYNQTHNSOZYQCA-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1CC[C@H](C)[NH2+]C 251589733 571822132 /nfs/dbraw/zinc/82/21/32/571822132.db2.gz CPRMXQYVYOQXNY-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@H](C)C[NH2+]C(C)C 251917951 571824216 /nfs/dbraw/zinc/82/42/16/571824216.db2.gz YHBVUQFBTLOWSK-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1[C@H](C)CC[NH2+]C 251601314 571822220 /nfs/dbraw/zinc/82/22/20/571822220.db2.gz DCYSABQJUDHTGA-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[N@H+](C)C[C@H](C)C[NH2+]C1CC1 251939216 571824811 /nfs/dbraw/zinc/82/48/11/571824811.db2.gz SHPDEPNZOCRCTG-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1[C@H](C)CC[NH2+]C 251601316 571822564 /nfs/dbraw/zinc/82/25/64/571822564.db2.gz DCYSABQJUDHTGA-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH+]1C(C)(C)CC(CC[NH3+])CC1(C)C 4529408 571822573 /nfs/dbraw/zinc/82/25/73/571822573.db2.gz XVFYPRYHWRQDBY-UHFFFAOYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@](C)(CC)C[NH3+] 251783081 571822586 /nfs/dbraw/zinc/82/25/86/571822586.db2.gz JFEPISCWKYXPED-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1C[C@](C)(CC)C[NH3+] 251592892 571822641 /nfs/dbraw/zinc/82/26/41/571822641.db2.gz CTDHLYWDVLKOTH-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]1 251654960 571822839 /nfs/dbraw/zinc/82/28/39/571822839.db2.gz GRJJDSOWZIUTNU-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@H]1CCC[N@H+](C[C@H](C)C[NH3+])CC1 251755293 571822926 /nfs/dbraw/zinc/82/29/26/571822926.db2.gz LPECHMQEOBVZPS-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H](CC(N)=[NH2+])[N@H+](C)[C@H](C)C(C)(C)C 251709404 571823113 /nfs/dbraw/zinc/82/31/13/571823113.db2.gz YCILJYAFWOWQGJ-RKDXNWHRSA-N 2 0 199.342 2.067 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@H](C)CC[NH2+]C1CC1 251860564 571823430 /nfs/dbraw/zinc/82/34/30/571823430.db2.gz OIJFERQVTRGXJY-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH2+]C)C[C@H]1C 252025341 571823612 /nfs/dbraw/zinc/82/36/12/571823612.db2.gz YDMQBZJFZBIMRE-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@H]1[NH3+] 252034315 571823649 /nfs/dbraw/zinc/82/36/49/571823649.db2.gz ZXYQLSKBDPKHDH-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)[C@H]1CCC[C@@H](C)C1 251909778 571823676 /nfs/dbraw/zinc/82/36/76/571823676.db2.gz TXQXPRNYPCSYBT-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 252111636 571823716 /nfs/dbraw/zinc/82/37/16/571823716.db2.gz HVRVSKCHQNANEJ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 251921127 571823777 /nfs/dbraw/zinc/82/37/77/571823777.db2.gz QEDCCCNRPNLPSU-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@H+](C)CCC[C@H](C)[NH2+]C 251894475 571823861 /nfs/dbraw/zinc/82/38/61/571823861.db2.gz PEEIKJMKYIABHY-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+]([C@H](C)CC)[C@H](C)C1 252021421 571823875 /nfs/dbraw/zinc/82/38/75/571823875.db2.gz XLNYKVKLGMEUPT-IJLUTSLNSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@H]1CCC[C@H]1[NH3+] 252017117 571824025 /nfs/dbraw/zinc/82/40/25/571824025.db2.gz WTOYVHPLBVBAJR-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCC[N@H+](CC[C@H](C)[NH2+]C)C1 251847578 571824164 /nfs/dbraw/zinc/82/41/64/571824164.db2.gz RKUOZRNEVLJGON-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@H](C)C[NH2+]C1CC1 251939217 571824458 /nfs/dbraw/zinc/82/44/58/571824458.db2.gz SHPDEPNZOCRCTG-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCC[C@H]1[NH3+] 251921124 571824506 /nfs/dbraw/zinc/82/45/06/571824506.db2.gz QEDCCCNRPNLPSU-QJPTWQEYSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)C[N@@H+]1CC[C@H]([NH2+]C)C[C@H]1C 252025342 571824521 /nfs/dbraw/zinc/82/45/21/571824521.db2.gz YDMQBZJFZBIMRE-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CCC[NH3+] 251948925 571824656 /nfs/dbraw/zinc/82/46/56/571824656.db2.gz UEHVOPRVZKDXBK-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H]([NH3+])CCC[N@@H+]1CC[C@H](C)C[C@H]1C 252101691 571824690 /nfs/dbraw/zinc/82/46/90/571824690.db2.gz GJHLWRPIBSICMU-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)[C@H]1CCCC[C@H]1C 252104859 571824746 /nfs/dbraw/zinc/82/47/46/571824746.db2.gz GVJPMTMOYUOBSF-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CCCC[C@H](C)[NH3+] 251936327 571824900 /nfs/dbraw/zinc/82/49/00/571824900.db2.gz ZTQWPEVINZGKHO-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)CC 251950806 571824969 /nfs/dbraw/zinc/82/49/69/571824969.db2.gz UKMCDPSRYBOMOQ-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]([NH3+])CCCC[N@@H+]1CCCC[C@H]1C 252101170 571825074 /nfs/dbraw/zinc/82/50/74/571825074.db2.gz GGXFKLACVLEKBO-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](C)[N@H+](C)CCCC[C@H](C)[NH3+] 251854867 571825120 /nfs/dbraw/zinc/82/51/20/571825120.db2.gz NNNOEPLZOHPQGI-QWRGUYRKSA-N 2 0 186.343 2.234 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC)[C@H](C)C1 252021423 571825260 /nfs/dbraw/zinc/82/52/60/571825260.db2.gz XLNYKVKLGMEUPT-QJPTWQEYSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](C)[N@H+](C)[C@H](C)CCC[NH2+]C 251847391 571825365 /nfs/dbraw/zinc/82/53/65/571825365.db2.gz MKZOUGAQVYDAJZ-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+]CCC[C@@H](C)[N@@H+]1CCCC[C@H]1C 252111281 571825475 /nfs/dbraw/zinc/82/54/75/571825475.db2.gz HUFMZBKXYAOQSL-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)CC[NH2+][C@H]1CCC[N@H+](C)CC1 76637696 571826484 /nfs/dbraw/zinc/82/64/84/571826484.db2.gz XYUYLNSDVLNFIH-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)C[N@@H+]1CCC[C@H]1C 252107736 571825651 /nfs/dbraw/zinc/82/56/51/571825651.db2.gz HHIOWDUHGKZXRS-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CC[NH2+][C@@H]1CCC[N@H+](C)CC1 76637693 571825850 /nfs/dbraw/zinc/82/58/50/571825850.db2.gz XYUYLNSDVLNFIH-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CCCC[C@H](C)[NH3+] 251936325 571825882 /nfs/dbraw/zinc/82/58/82/571825882.db2.gz ZTQWPEVINZGKHO-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)CC)C[C@@H]1C 251942385 571825994 /nfs/dbraw/zinc/82/59/94/571825994.db2.gz SQFKWHCJUJIUDH-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@H+](CC)[C@H](C)CCC[NH3+] 251944900 571826001 /nfs/dbraw/zinc/82/60/01/571826001.db2.gz SXUHKEFGLDBKOE-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H](C)[N@H+](C)CCC[C@H]1CCC[NH2+]1 252030531 571826139 /nfs/dbraw/zinc/82/61/39/571826139.db2.gz ZEEKRHREFOSUJX-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)CC[N@H+](C)[C@H](C)CC 251924674 571826153 /nfs/dbraw/zinc/82/61/53/571826153.db2.gz QNFJVMUOHDXNMQ-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@@H]1CCC[C@H]1[NH3+] 252017119 571826257 /nfs/dbraw/zinc/82/62/57/571826257.db2.gz WTOYVHPLBVBAJR-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1CC 251864050 571826357 /nfs/dbraw/zinc/82/63/57/571826357.db2.gz TVMZQWCJAUNTTF-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](CC)C[N@@H+]1CCC[C@H]1CC 251908942 571826426 /nfs/dbraw/zinc/82/64/26/571826426.db2.gz XNRPNAACUJAQKQ-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@H](C)[C@@H]1C 252092037 571826452 /nfs/dbraw/zinc/82/64/52/571826452.db2.gz DUSJWGWGFGIIMH-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1CCC[N@@H+]([C@H](C)CC[NH2+]C)C1 251867149 571826581 /nfs/dbraw/zinc/82/65/81/571826581.db2.gz UCOVISRLIDUMRO-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@H]1CCCC[C@@H]1[NH3+] 252034316 571826626 /nfs/dbraw/zinc/82/66/26/571826626.db2.gz ZXYQLSKBDPKHDH-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](CC)CCC[C@H](C)[NH3+] 251862570 571826703 /nfs/dbraw/zinc/82/67/03/571826703.db2.gz OPNZWGZFNGNITM-QWRGUYRKSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]1CCC[N@H+](CC[C@H](C)[NH3+])CC1 251837011 571826738 /nfs/dbraw/zinc/82/67/38/571826738.db2.gz QLFIXIYQGCQIOK-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[N@H+](C)[C@H](C)CC[NH2+]C1CC1 251860563 571826765 /nfs/dbraw/zinc/82/67/65/571826765.db2.gz OIJFERQVTRGXJY-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@H]1CCC[C@@H]1[NH3+] 252017122 571826806 /nfs/dbraw/zinc/82/68/06/571826806.db2.gz WTOYVHPLBVBAJR-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@H](C)CCC[NH3+] 251944901 571826813 /nfs/dbraw/zinc/82/68/13/571826813.db2.gz SXUHKEFGLDBKOE-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+]([C@H](C)CC)[C@@H](C)C1 252021418 571826840 /nfs/dbraw/zinc/82/68/40/571826840.db2.gz XLNYKVKLGMEUPT-GRYCIOLGSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]1CCC[N@@H+]1[C@H](C)C[NH2+]C(C)C 251917950 571826878 /nfs/dbraw/zinc/82/68/78/571826878.db2.gz YHBVUQFBTLOWSK-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@H](C)CC[NH3+] 252095407 571826958 /nfs/dbraw/zinc/82/69/58/571826958.db2.gz FJRPKPRZUMNAFX-IJLUTSLNSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@H](C)CCC[NH3+] 251948926 571827061 /nfs/dbraw/zinc/82/70/61/571827061.db2.gz UEHVOPRVZKDXBK-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC)C[C@H]1C 251942379 571827066 /nfs/dbraw/zinc/82/70/66/571827066.db2.gz SQFKWHCJUJIUDH-GRYCIOLGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C)CC[N@@H+]1CCC[C@H]1CC 251864708 571827097 /nfs/dbraw/zinc/82/70/97/571827097.db2.gz TXIKZMVFNODJNV-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC[C@H]1CCC[NH2+]1 252030532 571827294 /nfs/dbraw/zinc/82/72/94/571827294.db2.gz ZEEKRHREFOSUJX-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CCC[N@H+](CC[C@H](C)[NH3+])CC1 251837010 571828297 /nfs/dbraw/zinc/82/82/97/571828297.db2.gz QLFIXIYQGCQIOK-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C 252029221 571827506 /nfs/dbraw/zinc/82/75/06/571827506.db2.gz YXNRMQGWNLIHNN-QJPTWQEYSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC[C@H](C)[NH2+]C 251894477 571827583 /nfs/dbraw/zinc/82/75/83/571827583.db2.gz PEEIKJMKYIABHY-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP C[C@@H]1CC[N@@H+]([C@H](C)CCC[NH3+])[C@H](C)C1 252114184 571827713 /nfs/dbraw/zinc/82/77/13/571827713.db2.gz IFZNWWACBYMARQ-IJLUTSLNSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1[C@H](C)CCC[NH3+] 251905068 571828314 /nfs/dbraw/zinc/82/83/14/571828314.db2.gz XEYPYLHSSFQTAC-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH+]1CCC([NH3+])(CCC(C)C)CC1 686225024 571827754 /nfs/dbraw/zinc/82/77/54/571827754.db2.gz PNJALURWYSJPSE-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)[C@H]1CCCC[C@@H]1C 252104857 571827774 /nfs/dbraw/zinc/82/77/74/571827774.db2.gz GVJPMTMOYUOBSF-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])CCC[N@@H+]1CC[C@H](C)C[C@@H]1C 252101692 571827780 /nfs/dbraw/zinc/82/77/80/571827780.db2.gz GJHLWRPIBSICMU-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1[C@H](C)CCC[NH3+] 251905073 571827843 /nfs/dbraw/zinc/82/78/43/571827843.db2.gz XEYPYLHSSFQTAC-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCCC[C@H](C)[NH3+] 251854869 571827860 /nfs/dbraw/zinc/82/78/60/571827860.db2.gz NNNOEPLZOHPQGI-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)CC)C[C@H]1C 251942383 571827933 /nfs/dbraw/zinc/82/79/33/571827933.db2.gz SQFKWHCJUJIUDH-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([NH3+])CCC[NH+]1[C@H](C)CCC[C@H]1C 252104485 571827957 /nfs/dbraw/zinc/82/79/57/571827957.db2.gz GTTYLEUYNRVCGA-QJPTWQEYSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H](C)C[NH3+])C1 251893047 571828018 /nfs/dbraw/zinc/82/80/18/571828018.db2.gz RXMKGTOMUACXBA-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)[C@H]1CCC[C@H](C)C1 251909777 571828042 /nfs/dbraw/zinc/82/80/42/571828042.db2.gz TXQXPRNYPCSYBT-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@H](C)CC[NH3+] 252095408 571828167 /nfs/dbraw/zinc/82/81/67/571828167.db2.gz FJRPKPRZUMNAFX-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C 252029224 571828211 /nfs/dbraw/zinc/82/82/11/571828211.db2.gz YXNRMQGWNLIHNN-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH3+])CCC[N@@H+]1CC[C@@H](C)C[C@H]1C 252101690 571828227 /nfs/dbraw/zinc/82/82/27/571828227.db2.gz GJHLWRPIBSICMU-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 251909776 571828262 /nfs/dbraw/zinc/82/82/62/571828262.db2.gz TXQXPRNYPCSYBT-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CCC[N@H+]1[C@H](C)CC[NH2+]C1CC1 252106720 571828434 /nfs/dbraw/zinc/82/84/34/571828434.db2.gz HCNXNGLMKZJOKE-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CCC[C@H](C)[NH3+] 251862571 571828593 /nfs/dbraw/zinc/82/85/93/571828593.db2.gz OPNZWGZFNGNITM-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@H](C)CCC[NH2+]C 251847393 571828501 /nfs/dbraw/zinc/82/85/01/571828501.db2.gz MKZOUGAQVYDAJZ-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H]1CCC[N@@H+]([C@H](C)CC[NH2+]C)C1 251867148 571828694 /nfs/dbraw/zinc/82/86/94/571828694.db2.gz UCOVISRLIDUMRO-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](N)C[N@H+](C)[C@H](C)C(C)C 252393298 571831164 /nfs/dbraw/zinc/83/11/64/571831164.db2.gz YWZDBHSDBQYFQF-GHMZBOCLSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@H]1CCC[N@@H+]([C@H](CC)CC[NH3+])C1 252419469 571829002 /nfs/dbraw/zinc/82/90/02/571829002.db2.gz WIXFGGSXDLWGKV-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1C[NH3+] 252416796 571829102 /nfs/dbraw/zinc/82/91/02/571829102.db2.gz SVWQCQQAABNTSR-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[C@H]([NH3+])C[N@@H+]1CCC[C@H]1CC 252414419 571829260 /nfs/dbraw/zinc/82/92/60/571829260.db2.gz HRJLMOJTTCAZBA-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]C[C@@H](C)C[N@@H+]1CCCCC[C@H]1C 252136280 571829544 /nfs/dbraw/zinc/82/95/44/571829544.db2.gz LNIFYJBYSUAKNB-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 252416797 571829891 /nfs/dbraw/zinc/82/98/91/571829891.db2.gz SVWQCQQAABNTSR-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])CCC[N@@H+]1CCC[C@H](C)[C@H]1C 252205432 571829932 /nfs/dbraw/zinc/82/99/32/571829932.db2.gz UZWDWWRZLQJVNW-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1[C@H](C)CCC[N@@H+]1CCCCC[NH3+] 252203439 571830041 /nfs/dbraw/zinc/83/00/41/571830041.db2.gz UOXYBPDHNJPATI-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@H]1CCCC[C@@H]1N 252405200 571830086 /nfs/dbraw/zinc/83/00/86/571830086.db2.gz DRSVGFILLKQRTQ-SRVKXCTJSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CC[C@H]1CCC[NH2+]1 251760065 571830290 /nfs/dbraw/zinc/83/02/90/571830290.db2.gz HOVCSXFATLGAFG-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]([NH3+])CCC[N@@H+]1CCC[C@H](C)[C@@H]1C 252205433 571830519 /nfs/dbraw/zinc/83/05/19/571830519.db2.gz UZWDWWRZLQJVNW-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](N)C[N@H+](C)[C@H](C)C(C)C 252393299 571830634 /nfs/dbraw/zinc/83/06/34/571830634.db2.gz YWZDBHSDBQYFQF-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1C[NH3+] 252421299 571830795 /nfs/dbraw/zinc/83/07/95/571830795.db2.gz YZRTWVJZBRGJTK-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH3+])CCC[NH+]1C[C@@H](C)C[C@H](C)C1 252167613 571830874 /nfs/dbraw/zinc/83/08/74/571830874.db2.gz QRPQMBFYQVFBDS-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C 252387972 571831017 /nfs/dbraw/zinc/83/10/17/571831017.db2.gz BXVYEIYXLMYTRA-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]([NH3+])C[NH2+]CCCCC(C)C 78450668 571831085 /nfs/dbraw/zinc/83/10/85/571831085.db2.gz OVCGREGVJBMWBC-LLVKDONJSA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1C 252137384 571831107 /nfs/dbraw/zinc/83/11/07/571831107.db2.gz LRBPTCUFLGVBGG-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 252421301 571831191 /nfs/dbraw/zinc/83/11/91/571831191.db2.gz YZRTWVJZBRGJTK-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@H](N)C[N@H+](CC)[C@H](C)CC 252393248 571832053 /nfs/dbraw/zinc/83/20/53/571832053.db2.gz YHJQAPLZOVYLSU-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]([NH3+])C[NH2+]CCCCC(C)C 78450666 571831471 /nfs/dbraw/zinc/83/14/71/571831471.db2.gz OVCGREGVJBMWBC-NSHDSACASA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@H](C)[C@H](N)C[N@H+](C)[C@H](C)C1CC1 252410488 571831551 /nfs/dbraw/zinc/83/15/51/571831551.db2.gz LSENVORMHNUFGU-HOSYDEDBSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1CCC[N@@H+]1CCC[C@H]1CCC[NH2+]1 252231734 571831605 /nfs/dbraw/zinc/83/16/05/571831605.db2.gz ZYRCETAPZYITPO-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+][C@@H](C)CCC[N@@H+]1CCC[C@H](C)C1 252206993 571831732 /nfs/dbraw/zinc/83/17/32/571831732.db2.gz VIEJMBSATSXPSL-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](N)[C@H](C)[N@H+](C)[C@H](C)C(C)C 252409916 571831796 /nfs/dbraw/zinc/83/17/96/571831796.db2.gz KZIMIPNRPNGASP-VWYCJHECSA-N 2 0 186.343 2.089 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@H](CC)CC[NH3+] 252413454 571831817 /nfs/dbraw/zinc/83/18/17/571831817.db2.gz PIXNJUIHHZIMNP-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1C[NH3+] 252421297 571833212 /nfs/dbraw/zinc/83/32/12/571833212.db2.gz YZRTWVJZBRGJTK-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP C[NH2+][C@@H](C)CCC[N@@H+]1CCCC[C@H]1C 252206482 571831952 /nfs/dbraw/zinc/83/19/52/571831952.db2.gz VFSBXZPRDXOKIC-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]1CCC[N@@H+]([C@H](C)CCC[NH3+])[C@@H]1C 252210063 571833220 /nfs/dbraw/zinc/83/32/20/571833220.db2.gz WCJSLSFDDQKXEB-IJLUTSLNSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](N)C[N@@H+]1CCCC[C@H]1CC 252389058 571832280 /nfs/dbraw/zinc/83/22/80/571832280.db2.gz GRQPMEMRQWWKIU-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CC 252414420 571832305 /nfs/dbraw/zinc/83/23/05/571832305.db2.gz HRJLMOJTTCAZBA-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H]([NH3+])CCC[N@@H+]1CCC[C@@H](C)[C@H]1C 252205431 571832325 /nfs/dbraw/zinc/83/23/25/571832325.db2.gz UZWDWWRZLQJVNW-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])CCCC[N@@H+]1CCC[C@H](C)C1 252172609 571832341 /nfs/dbraw/zinc/83/23/41/571832341.db2.gz OHDMHRRZHQYLFL-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](CC(N)=[NH2+])[N@H+](C)[C@H](C)C(C)C 252413339 571833233 /nfs/dbraw/zinc/83/32/33/571833233.db2.gz PDUNXHUSIKMOIS-NXEZZACHSA-N 2 0 199.342 2.067 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@H](CC)CC[NH3+] 252413453 571832519 /nfs/dbraw/zinc/83/25/19/571832519.db2.gz PIXNJUIHHZIMNP-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1N 252405199 571832662 /nfs/dbraw/zinc/83/26/62/571832662.db2.gz DRSVGFILLKQRTQ-QJPTWQEYSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@H]1CCC[N@H+](CCCCC[NH3+])[C@H]1C 252203440 571832678 /nfs/dbraw/zinc/83/26/78/571832678.db2.gz UOXYBPDHNJPATI-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@H]1CCCC[C@H]1N 252405201 571832722 /nfs/dbraw/zinc/83/27/22/571832722.db2.gz DRSVGFILLKQRTQ-TUAOUCFPSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@@H](CC(N)=[NH2+])[N@H+](C)[C@H](C)C(C)C 252413341 571832757 /nfs/dbraw/zinc/83/27/57/571832757.db2.gz PDUNXHUSIKMOIS-ZJUUUORDSA-N 2 0 199.342 2.067 10 0 AEAERP CCC[C@@](C)([NH3+])C[N@@H+]1CCC[C@H]1CC 252417627 571832793 /nfs/dbraw/zinc/83/27/93/571832793.db2.gz SGFMMNUKXAJILA-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](C)C[N@H+](C)CC[C@H]1CCC[NH2+]1 251760062 571832831 /nfs/dbraw/zinc/83/28/31/571832831.db2.gz HOVCSXFATLGAFG-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CCC[C@H]1CCC[NH2+]1 252231736 571832981 /nfs/dbraw/zinc/83/29/81/571832981.db2.gz ZYRCETAPZYITPO-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H](N)C[N@@H+]1CCCC[C@H]1CC 252389059 571833001 /nfs/dbraw/zinc/83/30/01/571833001.db2.gz GRQPMEMRQWWKIU-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](N)[C@@H](C)[N@H+](C)[C@H](C)C(C)C 252409914 571833188 /nfs/dbraw/zinc/83/31/88/571833188.db2.gz KZIMIPNRPNGASP-MXWKQRLJSA-N 2 0 186.343 2.089 10 0 AEAERP CC[C@H](C)[C@@H](N)C[N@H+](C)[C@H](C)C1CC1 252410489 571833422 /nfs/dbraw/zinc/83/34/22/571833422.db2.gz LSENVORMHNUFGU-UMNHJUIQSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CC[C@H](C)[NH2+]C 252429908 571833318 /nfs/dbraw/zinc/83/33/18/571833318.db2.gz KTZJRCHYENHUGC-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1C[NH3+] 252416794 571833362 /nfs/dbraw/zinc/83/33/62/571833362.db2.gz SVWQCQQAABNTSR-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](CC)CC[C@H](C)[NH2+]C 252429907 571833476 /nfs/dbraw/zinc/83/34/76/571833476.db2.gz KTZJRCHYENHUGC-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+]C[C@H](C(C)C)N1CCCC[C@H]1C 252199724 571833634 /nfs/dbraw/zinc/83/36/34/571833634.db2.gz TUHSXGXDZJZEAZ-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@](C)([NH3+])C[N@@H+]1CCC[C@H]1CC 252417626 571833689 /nfs/dbraw/zinc/83/36/89/571833689.db2.gz SGFMMNUKXAJILA-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C 252387970 571833808 /nfs/dbraw/zinc/83/38/08/571833808.db2.gz BXVYEIYXLMYTRA-GRYCIOLGSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[C@H]([NH3+])C(C)(C)C[N@@H+]1CC[C@H]1C 713058606 571833862 /nfs/dbraw/zinc/83/38/62/571833862.db2.gz AAESOWDFDDHVBV-MNOVXSKESA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@@H]([NH3+])C(C)(C)C[N@@H+]1CC[C@H]1C 713058599 571834006 /nfs/dbraw/zinc/83/40/06/571834006.db2.gz AAESOWDFDDHVBV-GHMZBOCLSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H](C)C[N@H+](C)[C@H](CC)CC(N)=[NH2+] 252436249 571834137 /nfs/dbraw/zinc/83/41/37/571834137.db2.gz NXOJRUWTWFGPQJ-NXEZZACHSA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H]1CCCCC[N@@H+]1C[C@H](C)C[NH3+] 252878025 571834141 /nfs/dbraw/zinc/83/41/41/571834141.db2.gz YBBLEGHFZVFQMN-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CC[C@H]1CCC[NH2+]1 252450995 571834172 /nfs/dbraw/zinc/83/41/72/571834172.db2.gz BNOVHMVWUWEXLQ-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@@H+]1CCC[C@H]([C@H](C)[NH2+]CC)C1 252436120 571834414 /nfs/dbraw/zinc/83/44/14/571834414.db2.gz NGINCFKEWNPMKW-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@H]([NH3+])C(C)(C)C[N@@H+]1CC[C@@H]1C 713058609 571834489 /nfs/dbraw/zinc/83/44/89/571834489.db2.gz AAESOWDFDDHVBV-QWRGUYRKSA-N 2 0 198.354 2.090 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1C 252433258 571834563 /nfs/dbraw/zinc/83/45/63/571834563.db2.gz JKSMJTGYZSLEPD-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]1CCCCC[N@@H+]1C[C@H](C)C[NH3+] 252878026 571834819 /nfs/dbraw/zinc/83/48/19/571834819.db2.gz YBBLEGHFZVFQMN-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC)[C@H]1CCCC[C@H]1C[NH3+] 252433801 571834838 /nfs/dbraw/zinc/83/48/38/571834838.db2.gz DCFXGHYTFMKXJP-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@@H]([NH3+])C(C)(C)C[N@@H+]1CC[C@@H]1C 713058612 571834908 /nfs/dbraw/zinc/83/49/08/571834908.db2.gz AAESOWDFDDHVBV-WDEREUQCSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] 252437150 571834976 /nfs/dbraw/zinc/83/49/76/571834976.db2.gz UFFOQEGLIHSHSL-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@H+](C)[C@H]1CCC[C@H]1C[NH3+] 252433509 571834989 /nfs/dbraw/zinc/83/49/89/571834989.db2.gz CJVLGWJQSATFCZ-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](C)C[C@H]1CCCC[C@H]1[NH3+] 252458314 571835150 /nfs/dbraw/zinc/83/51/50/571835150.db2.gz ZJNIMUUWDGHCPX-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](CC)[C@@H]1CCC[C@H]1C[NH3+] 252436739 571835245 /nfs/dbraw/zinc/83/52/45/571835245.db2.gz RCRIEAVOUXEZSD-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@H]1CCCC[C@H]1C[NH3+] 252437149 571835333 /nfs/dbraw/zinc/83/53/33/571835333.db2.gz UFFOQEGLIHSHSL-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCCCC[N@@H+]1CC[C@H](C)[NH3+] 252861380 571835350 /nfs/dbraw/zinc/83/53/50/571835350.db2.gz OILWQHNLUFASDW-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH+](CC)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] 252434934 571835453 /nfs/dbraw/zinc/83/54/53/571835453.db2.gz HCNVLCGSLSFHHH-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](CC(C)C)[C@@H]1CCC[C@H]1C[NH3+] 252436972 571835460 /nfs/dbraw/zinc/83/54/60/571835460.db2.gz SNNMRWFNHZHSGQ-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](C(C)C)[C@H]1CCC[C@H]1C[NH3+] 252436571 571835573 /nfs/dbraw/zinc/83/55/73/571835573.db2.gz PVEQBKXYGPZMKM-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@H]([NH3+])CC[N@@H+]1CCCC[C@H]1C 252476187 571835796 /nfs/dbraw/zinc/83/57/96/571835796.db2.gz KIQJNUNPTYMMMN-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@H](CC)CC[NH3+] 252436609 571835805 /nfs/dbraw/zinc/83/58/05/571835805.db2.gz QCFFIUXCORYCLJ-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC[N@H+](CC(C)C)[C@H]1CCC[C@H]1C[NH3+] 252436973 571835914 /nfs/dbraw/zinc/83/59/14/571835914.db2.gz SNNMRWFNHZHSGQ-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@H]1C[NH3+] 252434480 571836069 /nfs/dbraw/zinc/83/60/69/571836069.db2.gz FUEPOFPNXLFPGH-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@H]1CCC[C@H]1C[NH3+] 252434957 571837845 /nfs/dbraw/zinc/83/78/45/571837845.db2.gz HFUVYPBMVNSFGE-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)[C@@H]1C[C@@H](C)CC[C@H]1C[NH3+] 252434935 571836149 /nfs/dbraw/zinc/83/61/49/571836149.db2.gz HCNVLCGSLSFHHH-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](CC)[C@H]1CCC[C@H]1C[NH3+] 252436740 571836239 /nfs/dbraw/zinc/83/62/39/571836239.db2.gz RCRIEAVOUXEZSD-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCCCC[N@@H+]1CC[C@H](C)[NH3+] 252861381 571836412 /nfs/dbraw/zinc/83/64/12/571836412.db2.gz OILWQHNLUFASDW-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH2+]CC)C1 252436119 571836469 /nfs/dbraw/zinc/83/64/69/571836469.db2.gz NGINCFKEWNPMKW-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH2+]1 252435442 571836544 /nfs/dbraw/zinc/83/65/44/571836544.db2.gz JWGAZIHOPKJHIO-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1C 252433257 571836568 /nfs/dbraw/zinc/83/65/68/571836568.db2.gz JKSMJTGYZSLEPD-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] 252436690 571836589 /nfs/dbraw/zinc/83/65/89/571836589.db2.gz QQRQZAHNFJTHIB-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@H+](CC)CC[C@H]1CCC[NH2+]1 252450994 571836724 /nfs/dbraw/zinc/83/67/24/571836724.db2.gz BNOVHMVWUWEXLQ-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)C[N@H+](C)[C@H](CC)CC[NH3+] 252436608 571836605 /nfs/dbraw/zinc/83/66/05/571836605.db2.gz QCFFIUXCORYCLJ-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@H+](C[C@H]([NH3+])[C@H](C)CC)C1CC1 252435088 571836858 /nfs/dbraw/zinc/83/68/58/571836858.db2.gz HWPDRVGNNVSIQY-PWSUYJOCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@H]1CCC[C@@H]1C[NH3+] 252434482 571837080 /nfs/dbraw/zinc/83/70/80/571837080.db2.gz FUEPOFPNXLFPGH-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@H+](C)[C@@H]1CCC[C@H]1C[NH3+] 252433508 571837141 /nfs/dbraw/zinc/83/71/41/571837141.db2.gz CJVLGWJQSATFCZ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](CC[NH3+])[N@@H+]1CCCC[C@H]1CC 252433300 571837166 /nfs/dbraw/zinc/83/71/66/571837166.db2.gz BWGVBMVDDOQEIQ-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 252434958 571837381 /nfs/dbraw/zinc/83/73/81/571837381.db2.gz HFUVYPBMVNSFGE-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@@H]1CCC[C@H]1C[NH3+] 252434956 571837388 /nfs/dbraw/zinc/83/73/88/571837388.db2.gz HFUVYPBMVNSFGE-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH2+]1 252435443 571837397 /nfs/dbraw/zinc/83/73/97/571837397.db2.gz JWGAZIHOPKJHIO-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H]1CCC[C@H]1C[NH3+] 252436570 571837460 /nfs/dbraw/zinc/83/74/60/571837460.db2.gz PVEQBKXYGPZMKM-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 252433357 571837489 /nfs/dbraw/zinc/83/74/89/571837489.db2.gz CDGSTEROBHFMSW-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]([NH3+])C1 252451803 571837778 /nfs/dbraw/zinc/83/77/78/571837778.db2.gz WHZFIEGJYQWEDR-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](CC)[C@@H]1CCCC[C@H]1C[NH3+] 252433800 571837944 /nfs/dbraw/zinc/83/79/44/571837944.db2.gz DCFXGHYTFMKXJP-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@H]([NH3+])CC[N@@H+]1CCC[C@H](C)C1 252476365 571838046 /nfs/dbraw/zinc/83/80/46/571838046.db2.gz YLEJBOQSMMLUJG-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)[N@H+](CC)[C@H](CC)CC[NH3+] 252438035 571838083 /nfs/dbraw/zinc/83/80/83/571838083.db2.gz ZAFSRMBYNOMLGY-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@H]1CCC[C@H]([NH3+])C1 252451804 571838187 /nfs/dbraw/zinc/83/81/87/571838187.db2.gz WHZFIEGJYQWEDR-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[N@H+](C)C[C@@H]1CCCC[C@H]1[NH3+] 252458313 571838225 /nfs/dbraw/zinc/83/82/25/571838225.db2.gz ZJNIMUUWDGHCPX-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@H]1CCC[C@H]1C[NH3+] 252434481 571838438 /nfs/dbraw/zinc/83/84/38/571838438.db2.gz FUEPOFPNXLFPGH-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](CC)[C@H](CC)CC(N)=[NH2+] 252434143 571838499 /nfs/dbraw/zinc/83/84/99/571838499.db2.gz FAGXOPCAESEMQR-NXEZZACHSA-N 2 0 199.342 2.211 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@H](CC)CC[NH3+] 252438036 571838532 /nfs/dbraw/zinc/83/85/32/571838532.db2.gz ZAFSRMBYNOMLGY-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[N@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1C[NH3+] 252436691 571838559 /nfs/dbraw/zinc/83/85/59/571838559.db2.gz QQRQZAHNFJTHIB-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@H+](CCC(C)(C)C)[C@@H]1CCC[C@@H]1N 259068752 571844221 /nfs/dbraw/zinc/84/42/21/571844221.db2.gz QNTWZLLVUNWQHY-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)(CC)[NH2+]CCCC[NH3+] 84901723 571845756 /nfs/dbraw/zinc/84/57/56/571845756.db2.gz JWNZDTGLPBFKKJ-UHFFFAOYSA-N 2 0 186.343 2.284 10 0 AEAERP C[N@H+](CCCC[NH3+])CCC(C)(C)C 258843250 571846151 /nfs/dbraw/zinc/84/61/51/571846151.db2.gz HFPKLXVOXYJYFM-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400362182 571848027 /nfs/dbraw/zinc/84/80/27/571848027.db2.gz DLGUZVMYQJGFDX-QJPTWQEYSA-N 2 0 198.354 2.295 10 0 AEAERP CN[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)CC1 234441120 571858940 /nfs/dbraw/zinc/85/89/40/571858940.db2.gz CUOFRJBRFKHUGB-IJLUTSLNSA-N 2 0 198.354 2.153 10 0 AEAERP CCC(C)(C)C[N@H+](CCC[NH3+])C1CC1 713127041 571864107 /nfs/dbraw/zinc/86/41/07/571864107.db2.gz DUFRZDJPAFUIEF-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)C)CC[NH2+]1 235388345 571864714 /nfs/dbraw/zinc/86/47/14/571864714.db2.gz FDTHPQIVIWSORA-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP [NH3+]CCC1([NH+]2CCCC2)CCCCC1 39039300 571872147 /nfs/dbraw/zinc/87/21/47/571872147.db2.gz XFAULWUIQOZTED-UHFFFAOYSA-N 2 0 196.338 2.134 10 0 AEAERP C[C@@H]1CCC[C@@H](C[C@@H]2CCCC[NH2+]2)[NH2+]1 6488336 571871819 /nfs/dbraw/zinc/87/18/19/571871819.db2.gz NLQUGMVIBNHBEL-WOPDTQHZSA-N 2 0 196.338 2.049 10 0 AEAERP C[C@@H]1CCC[C@H](C[C@@H]2CCCC[NH2+]2)[NH2+]1 6488323 571872039 /nfs/dbraw/zinc/87/20/39/571872039.db2.gz NLQUGMVIBNHBEL-GRYCIOLGSA-N 2 0 196.338 2.049 10 0 AEAERP CC(C)(C)C[C@H]([NH3+])C[NH2+][C@H]1CC1(C)C 401216141 571883814 /nfs/dbraw/zinc/88/38/14/571883814.db2.gz CHABBCGRYKNTQP-UWVGGRQHSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)(C)C[C@H]([NH3+])C[NH2+][C@@H]1CC1(C)C 401216142 571885938 /nfs/dbraw/zinc/88/59/38/571885938.db2.gz CHABBCGRYKNTQP-VHSXEESVSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)CC[C@H](C)[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 300050066 571887050 /nfs/dbraw/zinc/88/70/50/571887050.db2.gz WWIQDNWMFPGAME-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)CC[C@H](C)[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300050064 571886924 /nfs/dbraw/zinc/88/69/24/571886924.db2.gz WWIQDNWMFPGAME-GRYCIOLGSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)CC[C@H](C)[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 300050065 571887491 /nfs/dbraw/zinc/88/74/91/571887491.db2.gz WWIQDNWMFPGAME-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP CCCCC[C@H](C)[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 300049606 571890158 /nfs/dbraw/zinc/89/01/58/571890158.db2.gz SXFIIXMTZULNHI-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[N@H+](C)C[C@H]1CC[C@H]([NH3+])CC1 711083346 571890394 /nfs/dbraw/zinc/89/03/94/571890394.db2.gz HUTKUOZUXYFKKX-HAQNSBGRSA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[C@H](C)[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 300049605 571890735 /nfs/dbraw/zinc/89/07/35/571890735.db2.gz SXFIIXMTZULNHI-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 300056320 571893145 /nfs/dbraw/zinc/89/31/45/571893145.db2.gz OSPFCMKXVDOQIY-QJPTWQEYSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 300056322 571893970 /nfs/dbraw/zinc/89/39/70/571893970.db2.gz OSPFCMKXVDOQIY-TUAOUCFPSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@@H](C)N(C[C@H]1CCC[NH2+]1)C(C)C 300057600 571894432 /nfs/dbraw/zinc/89/44/32/571894432.db2.gz QSRSJQADZPYDFE-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]([NH3+])CCC[N@H+](C)C[C@H]1C[C@@H]1C 300059929 571895037 /nfs/dbraw/zinc/89/50/37/571895037.db2.gz BGXTUAWBNXXCHC-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)N(C[C@H]1CCC[NH2+]1)C(C)C 300057599 571895158 /nfs/dbraw/zinc/89/51/58/571895158.db2.gz QSRSJQADZPYDFE-NWDGAFQWSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]([NH3+])CCC[N@H+](C)C[C@@H]1C[C@H]1C 300059934 571895333 /nfs/dbraw/zinc/89/53/33/571895333.db2.gz BGXTUAWBNXXCHC-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]([NH3+])CCC[N@H+](C)C[C@H]1C[C@H]1C 300059932 571895316 /nfs/dbraw/zinc/89/53/16/571895316.db2.gz BGXTUAWBNXXCHC-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]([NH3+])CCC[N@@H+]1C[C@@H](C)C[C@H]1C 300062567 571896253 /nfs/dbraw/zinc/89/62/53/571896253.db2.gz XKZFLASSVJCKKB-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 300061664 571896581 /nfs/dbraw/zinc/89/65/81/571896581.db2.gz JYEQVTUZUWESRK-SDDRHHMPSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H]([NH3+])CCC[N@@H+]1CCC[C@H](C)C1 300061267 571896661 /nfs/dbraw/zinc/89/66/61/571896661.db2.gz LPKDBUCAXFQJFQ-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]([NH3+])CCC[N@H+](C)[C@H](C)CC 300062732 571896686 /nfs/dbraw/zinc/89/66/86/571896686.db2.gz YPFWMIQBDBZPDC-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]([NH3+])CCC[N@@H+]1CCC[C@H]1CC 300062701 571896933 /nfs/dbraw/zinc/89/69/33/571896933.db2.gz YETYHGASIJULFI-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H](CCC[N@@H+]1CCC[C@H]1C)[NH2+]C 300062451 571897083 /nfs/dbraw/zinc/89/70/83/571897083.db2.gz VXMPSZXHVGQOQB-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](CCC[N@@H+]1CCC[C@H]1C)[NH2+]C 300062452 571897135 /nfs/dbraw/zinc/89/71/35/571897135.db2.gz VXMPSZXHVGQOQB-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H]1CC[N@@H+](CCC[C@H]([NH3+])CC)C1 300061091 571897415 /nfs/dbraw/zinc/89/74/15/571897415.db2.gz KRIUTHKPMKUIIN-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]([NH3+])CCC[N@@H+]1CCCC[C@H]1C 300062543 571897422 /nfs/dbraw/zinc/89/74/22/571897422.db2.gz XAUBMAGHNYRHPL-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]([NH3+])CCC[N@@H+]1CCC[C@H]1CC 300062702 571897457 /nfs/dbraw/zinc/89/74/57/571897457.db2.gz YETYHGASIJULFI-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H]([NH3+])CCC[N@@H+]1C[C@H](C)C[C@H]1C 300062568 571897517 /nfs/dbraw/zinc/89/75/17/571897517.db2.gz XKZFLASSVJCKKB-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](CCC[N@@H+]1CC[C@H](C)C1)[NH2+]C 300060954 571897547 /nfs/dbraw/zinc/89/75/47/571897547.db2.gz IYWYGMZFIKQKQN-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]([NH3+])CCC[N@@H+]1CC[C@H](CC)C1 300061092 571897738 /nfs/dbraw/zinc/89/77/38/571897738.db2.gz KRIUTHKPMKUIIN-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]([NH3+])CCC[N@H+](C)[C@H](C)CC 300062731 571897898 /nfs/dbraw/zinc/89/78/98/571897898.db2.gz YPFWMIQBDBZPDC-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]([NH3+])CCC[N@@H+]1CCCC[C@H]1C 300062542 571898024 /nfs/dbraw/zinc/89/80/24/571898024.db2.gz XAUBMAGHNYRHPL-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]([NH3+])CCC[N@@H+]1CCC[C@H](C)C1 300061266 571898061 /nfs/dbraw/zinc/89/80/61/571898061.db2.gz LPKDBUCAXFQJFQ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](CCC[N@@H+]1CC[C@H](C)C1)[NH2+]C 300060955 571898616 /nfs/dbraw/zinc/89/86/16/571898616.db2.gz IYWYGMZFIKQKQN-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]([NH3+])CCC[N@@H+]1C[C@H](C)C[C@@H]1C 300062569 571898824 /nfs/dbraw/zinc/89/88/24/571898824.db2.gz XKZFLASSVJCKKB-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 300061663 571898872 /nfs/dbraw/zinc/89/88/72/571898872.db2.gz JYEQVTUZUWESRK-QJPTWQEYSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@](C)([NH3+])C[NH2+]CCCC1CCC1 711127925 571899357 /nfs/dbraw/zinc/89/93/57/571899357.db2.gz FWRJIKAHTNIXDQ-LBPRGKRZSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+]CC1(C)CC1 235424920 571900111 /nfs/dbraw/zinc/90/01/11/571900111.db2.gz KQQMBLZCACONSK-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP C[C@H](CCC[NH3+])C[NH2+]CC1(C)CCC1 235420035 571900334 /nfs/dbraw/zinc/90/03/34/571900334.db2.gz NARNFRXSGMFHPG-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@@](C)([NH3+])C[NH2+]CCCC1CCC1 711127922 571901016 /nfs/dbraw/zinc/90/10/16/571901016.db2.gz FWRJIKAHTNIXDQ-GFCCVEGCSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H](CC[NH3+])[NH2+]CC1(C)CCCCC1 235440003 571904448 /nfs/dbraw/zinc/90/44/48/571904448.db2.gz ZUUMADIECNFCBZ-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CCC(C)(C)C[C@H]([NH3+])[C@H]1CCCN1C 713128535 571905985 /nfs/dbraw/zinc/90/59/85/571905985.db2.gz FPVXNPIRPXDURA-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[N@H+](C)[C@@H](C)C1(C)CC1 385518017 571907017 /nfs/dbraw/zinc/90/70/17/571907017.db2.gz STLQMWUOTUPDHW-DCAQKATOSA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)(C)[C@@H]([NH3+])[C@H]([NH3+])C1CCCCC1 39185698 571907741 /nfs/dbraw/zinc/90/77/41/571907741.db2.gz LYLCDBCBPDIXMH-MNOVXSKESA-N 2 0 198.354 2.267 10 0 AEAERP C[C@H](C[NH3+])CCC[NH2+]CC1(C)CCC1 235442616 571907890 /nfs/dbraw/zinc/90/78/90/571907890.db2.gz YJNCAWNRPYQZHX-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CCN(CC[NH3+])[C@H](C)c1cccs1 300775144 571915662 /nfs/dbraw/zinc/91/56/62/571915662.db2.gz DPMDERRNWIBTHR-SECBINFHSA-N 2 0 198.335 2.090 10 0 AEAERP CCC(CC)C[NH2+][C@@H](CN)C1CCC1 130265782 571915808 /nfs/dbraw/zinc/91/58/08/571915808.db2.gz NMHVAOFUHKEQAU-LBPRGKRZSA-N 2 0 198.354 2.140 10 0 AEAERP CCN(CC[NH3+])[C@@H](C)c1cccs1 300775147 571916209 /nfs/dbraw/zinc/91/62/09/571916209.db2.gz DPMDERRNWIBTHR-VIFPVBQESA-N 2 0 198.335 2.090 10 0 AEAERP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H](C)CC1 235488829 571918340 /nfs/dbraw/zinc/91/83/40/571918340.db2.gz VQQQPGQVVCVCRM-GRYCIOLGSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])CC[NH2+]CC1(C)CCCCC1 235487613 571918878 /nfs/dbraw/zinc/91/88/78/571918878.db2.gz QKZWLWSJHQIMEW-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H](C)CC1 235488926 571919844 /nfs/dbraw/zinc/91/98/44/571919844.db2.gz VQQQPGQVVCVCRM-WOPDTQHZSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+]CCCC[NH2+]CC1(C(C)C)CC1 234382947 571921149 /nfs/dbraw/zinc/92/11/49/571921149.db2.gz NRUGIFBYLCXTCB-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP C[C@H]([NH3+])CCCC[NH2+]C[C@H]1CC1(C)C 235490827 571922068 /nfs/dbraw/zinc/92/20/68/571922068.db2.gz IYSFRHKTVGNVIB-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH3+])CCCC[NH2+]CC1(C)CCC1 235490631 571922085 /nfs/dbraw/zinc/92/20/85/571922085.db2.gz VWWWAPHQZXBART-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC1CC1 227734976 571923152 /nfs/dbraw/zinc/92/31/52/571923152.db2.gz ZYQZIAQWKYYYKR-LBPRGKRZSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH3+])CCCC[NH2+]C[C@@H]1CC1(C)C 235490766 571923374 /nfs/dbraw/zinc/92/33/74/571923374.db2.gz IYSFRHKTVGNVIB-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H]1CCCC[N@@H+]1CCC[NH2+]C 212860889 571925631 /nfs/dbraw/zinc/92/56/31/571925631.db2.gz SBRGGDWZGQVTNO-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@@H]1CCCC[N@@H+]1CCC[NH2+]C 212860823 571926933 /nfs/dbraw/zinc/92/69/33/571926933.db2.gz SBRGGDWZGQVTNO-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1/C=C/CC[NH2+]C 687681924 571928441 /nfs/dbraw/zinc/92/84/41/571928441.db2.gz PFWGNHNOMHUGCQ-WNPFHQFXSA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H]1C/C=C/CC[NH3+] 687681912 571928720 /nfs/dbraw/zinc/92/87/20/571928720.db2.gz CPMPRHMYCJTPQC-PCAWENJQSA-N 2 0 196.338 2.154 10 0 AEAERP CC(C)[NH+]1CCC(C/C=C/C[NH3+])CC1 687681961 571928769 /nfs/dbraw/zinc/92/87/69/571928769.db2.gz UMQGKDVBUSTATQ-ONEGZZNKSA-N 2 0 196.338 2.012 10 0 AEAERP CC[N@@H+]1CCC[C@H]1C/C=C/CC[NH2+]C 687681922 571929063 /nfs/dbraw/zinc/92/90/63/571929063.db2.gz MDUKUZHKZVXNJR-ZYOFXKKJSA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@H]1/C=C/CC[NH3+] 687681916 571929178 /nfs/dbraw/zinc/92/91/78/571929178.db2.gz DJYQNKXXCDFASL-QDBLGGKGSA-N 2 0 196.338 2.154 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1C/C=C/CC[NH3+] 687681914 571929190 /nfs/dbraw/zinc/92/91/90/571929190.db2.gz CYRVCHDWAODDQX-PCAWENJQSA-N 2 0 196.338 2.156 10 0 AEAERP C[NH2+]C/C=C/[C@H]1CCCC[N@@H+]1C(C)C 687681952 571929492 /nfs/dbraw/zinc/92/94/92/571929492.db2.gz CLOPODVAUWKIFV-WAFBPQNNSA-N 2 0 196.338 2.025 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1C/C=C/C[NH2+]C 687681955 571929686 /nfs/dbraw/zinc/92/96/86/571929686.db2.gz CZUMTLKYOYKYSW-FVOPLDGLSA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@@H]1C/C=C/C[NH3+] 687681960 571929839 /nfs/dbraw/zinc/92/98/39/571929839.db2.gz RKEJDEWJFRNCBR-PYEVWLCESA-N 2 0 196.338 2.154 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1/C=C/CC[NH2+]C 687681923 571929947 /nfs/dbraw/zinc/92/99/47/571929947.db2.gz PFWGNHNOMHUGCQ-GXWOQWCDSA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@H]1C/C=C/C[NH3+] 687681959 571930190 /nfs/dbraw/zinc/93/01/90/571930190.db2.gz RKEJDEWJFRNCBR-OGOUPESXSA-N 2 0 196.338 2.154 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@@H]1/C=C/CC[NH3+] 687681915 571930197 /nfs/dbraw/zinc/93/01/97/571930197.db2.gz DJYQNKXXCDFASL-QBODLPLBSA-N 2 0 196.338 2.154 10 0 AEAERP C[NH2+]C/C=C/C[C@@H]1CCC[N@@H+]1C(C)C 687681963 571930320 /nfs/dbraw/zinc/93/03/20/571930320.db2.gz YPIGWOQYEZPSLN-ZYOFXKKJSA-N 2 0 196.338 2.025 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H](C/C=C/C[NH3+])C1 687681958 571930376 /nfs/dbraw/zinc/93/03/76/571930376.db2.gz JZESHDLUOLLKEN-PCAWENJQSA-N 2 0 196.338 2.012 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1C/C=C/CC[NH3+] 687681913 571930536 /nfs/dbraw/zinc/93/05/36/571930536.db2.gz CYRVCHDWAODDQX-AAOUONPWSA-N 2 0 196.338 2.156 10 0 AEAERP C[NH2+]CC/C=C/C[C@H]1CCCC[N@@H+]1C 687681918 571930835 /nfs/dbraw/zinc/93/08/35/571930835.db2.gz FAGCXECHLGZVCA-PCAWENJQSA-N 2 0 196.338 2.027 10 0 AEAERP C[NH2+]CC/C=C/C[C@@H]1CCCC[N@@H+]1C 687681917 571930780 /nfs/dbraw/zinc/93/07/80/571930780.db2.gz FAGCXECHLGZVCA-AAOUONPWSA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H](C/C=C/C[NH3+])C1 687681957 571930938 /nfs/dbraw/zinc/93/09/38/571930938.db2.gz JZESHDLUOLLKEN-AAOUONPWSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)[NH+]1CCC(/C=C/CC[NH3+])CC1 687681941 571931112 /nfs/dbraw/zinc/93/11/12/571931112.db2.gz AJPHETHXBCDKBG-HWKANZROSA-N 2 0 196.338 2.012 10 0 AEAERP C[NH2+]C/C=C/[C@@H]1CCCC[N@@H+]1C(C)C 687681953 571931183 /nfs/dbraw/zinc/93/11/83/571931183.db2.gz CLOPODVAUWKIFV-WMADIVHISA-N 2 0 196.338 2.025 10 0 AEAERP CC[N@@H+]1CCC[C@@H]1C/C=C/CC[NH2+]C 687681921 571931264 /nfs/dbraw/zinc/93/12/64/571931264.db2.gz MDUKUZHKZVXNJR-ITKZLYELSA-N 2 0 196.338 2.027 10 0 AEAERP CC[N@@H+]1CCC[C@H](C/C=C/CC[NH3+])C1 687681926 571931342 /nfs/dbraw/zinc/93/13/42/571931342.db2.gz PSHVHPVXUALRKT-PCAWENJQSA-N 2 0 196.338 2.013 10 0 AEAERP C[NH2+]C/C=C/C[C@H]1CCC[N@@H+]1C(C)C 687681962 571931384 /nfs/dbraw/zinc/93/13/84/571931384.db2.gz YPIGWOQYEZPSLN-ITKZLYELSA-N 2 0 196.338 2.025 10 0 AEAERP CC[N@@H+]1CCC[C@@H](C/C=C/CC[NH3+])C1 687681925 571931605 /nfs/dbraw/zinc/93/16/05/571931605.db2.gz PSHVHPVXUALRKT-AAOUONPWSA-N 2 0 196.338 2.013 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H]1C/C=C/CC[NH3+] 687681911 571931752 /nfs/dbraw/zinc/93/17/52/571931752.db2.gz CPMPRHMYCJTPQC-AAOUONPWSA-N 2 0 196.338 2.154 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1C/C=C/C[NH2+]C 687681954 571931758 /nfs/dbraw/zinc/93/17/58/571931758.db2.gz CZUMTLKYOYKYSW-FUEXJSSKSA-N 2 0 196.338 2.027 10 0 AEAERP C[NH+](C)CC[C@@H]([NH3+])CCC1CCCC1 300797422 571932165 /nfs/dbraw/zinc/93/21/65/571932165.db2.gz UYAGRPMQBSYOEP-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 219752658 571934361 /nfs/dbraw/zinc/93/43/61/571934361.db2.gz OFWPMDMSQADUTP-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H]([NH2+]C)[C@@H](C)C1 219758674 571934616 /nfs/dbraw/zinc/93/46/16/571934616.db2.gz RXQVKSCCDRXXTM-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](C)C1 219776666 571938075 /nfs/dbraw/zinc/93/80/75/571938075.db2.gz CHSOHIRYJOICQH-WDEREUQCSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC)C[C@@H]1C 219769625 571938840 /nfs/dbraw/zinc/93/88/40/571938840.db2.gz SQFKWHCJUJIUDH-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH+]1CCCCC1 79193227 571942893 /nfs/dbraw/zinc/94/28/93/571942893.db2.gz DAOWLOCNWHGZRS-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CC[N@H+](CCC[NH3+])CCC1CCCC1 300808049 571942921 /nfs/dbraw/zinc/94/29/21/571942921.db2.gz WVHLKDFBRLZSBN-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP C[C@H]1C[C@H](C[NH3+])CC[N@@H+]1CC(C)(C)C 713143073 571942955 /nfs/dbraw/zinc/94/29/55/571942955.db2.gz UEQNMKSKIVVPNS-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](CC[NH3+])CCC[NH+]1CCCCC1 79193231 571943616 /nfs/dbraw/zinc/94/36/16/571943616.db2.gz DAOWLOCNWHGZRS-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP C[C@H](CC[NH3+])[NH2+]CCCC(C)(C)C 300806041 571943892 /nfs/dbraw/zinc/94/38/92/571943892.db2.gz FEYFMDZYVZWYFB-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CC[NH2+][C@H](C)C1([NH3+])CCC(CC)CC1 687686770 571946535 /nfs/dbraw/zinc/94/65/35/571946535.db2.gz UWZZHRXCGPWVIH-VOMCLLRMSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 219842005 571945370 /nfs/dbraw/zinc/94/53/70/571945370.db2.gz RITNRNRXWMIVBC-WRWGMCAJSA-N 2 0 198.354 2.233 10 0 AEAERP CC1CCC([NH3+])([C@H]2CCCC[NH2+]2)CC1 687686814 571946730 /nfs/dbraw/zinc/94/67/30/571946730.db2.gz XBBXKEDLYQTBSH-MOENNCHZSA-N 2 0 196.338 2.036 10 0 AEAERP CC[NH2+][C@@H](C)C1([NH3+])CCC(CC)CC1 687686769 571947074 /nfs/dbraw/zinc/94/70/74/571947074.db2.gz UWZZHRXCGPWVIH-UNXYVOJBSA-N 2 0 198.354 2.282 10 0 AEAERP [NH3+]C1([C@@H]2CCCC[NH2+]2)CCCCCC1 687686291 571947477 /nfs/dbraw/zinc/94/74/77/571947477.db2.gz UQJBLCWQDVKTJQ-NSHDSACASA-N 2 0 196.338 2.180 10 0 AEAERP CC1CCC([NH3+])([C@@H]2CCCC[NH2+]2)CC1 687686813 571947497 /nfs/dbraw/zinc/94/74/97/571947497.db2.gz XBBXKEDLYQTBSH-CXQJBGSLSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+]C1([C@H]2CCCC[NH2+]2)CCCCCC1 687686290 571947531 /nfs/dbraw/zinc/94/75/31/571947531.db2.gz UQJBLCWQDVKTJQ-LLVKDONJSA-N 2 0 196.338 2.180 10 0 AEAERP CCC1CCC([NH3+])([C@@H]2CCC[NH2+]2)CC1 687686693 571947871 /nfs/dbraw/zinc/94/78/71/571947871.db2.gz QTFOVXJCRKACEW-CXQJBGSLSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)C[NH2+]C[C@H]1CCCCCC[NH2+]1 300810025 571948131 /nfs/dbraw/zinc/94/81/31/571948131.db2.gz AKPNSGBEIIQFBK-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)C[NH2+]C[C@@H]1CCCCCC[NH2+]1 300810028 571948689 /nfs/dbraw/zinc/94/86/89/571948689.db2.gz AKPNSGBEIIQFBK-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CCC1CCC([NH3+])([C@H]2CCC[NH2+]2)CC1 687686694 571948895 /nfs/dbraw/zinc/94/88/95/571948895.db2.gz QTFOVXJCRKACEW-MOENNCHZSA-N 2 0 196.338 2.036 10 0 AEAERP CC1(C)CCCC(C)(C)[NH+]1CCC[NH3+] 40448334 571951218 /nfs/dbraw/zinc/95/12/18/571951218.db2.gz NYRNLWUHRNDKHU-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]1CC[NH2+][C@@H](C2([NH3+])CCCCC2)C1 687688710 571956167 /nfs/dbraw/zinc/95/61/67/571956167.db2.gz PTIRBTKADZGZDZ-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H](C)[C@@](C)([NH3+])[C@@H]1CCCCC[NH2+]1 687688427 571956228 /nfs/dbraw/zinc/95/62/28/571956228.db2.gz MBEGNTQRGJQDAT-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@]([NH3+])(C(C)C)[C@@H]1C[C@H](C)CC[NH2+]1 687688678 571956364 /nfs/dbraw/zinc/95/63/64/571956364.db2.gz MLZZXUGUJRSMCX-WOPDTQHZSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H](C)[C@](C)([NH3+])[C@H]1CCCCC[NH2+]1 687688429 571957357 /nfs/dbraw/zinc/95/73/57/571957357.db2.gz MBEGNTQRGJQDAT-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@]([NH3+])(C(C)C)[C@H]1C[C@@H](C)CC[NH2+]1 687688676 571956816 /nfs/dbraw/zinc/95/68/16/571956816.db2.gz MLZZXUGUJRSMCX-TUAOUCFPSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]1CC[NH2+][C@@H](C2([NH3+])CCCCC2)C1 687688713 571956918 /nfs/dbraw/zinc/95/69/18/571956918.db2.gz PTIRBTKADZGZDZ-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H](C)[C@](C)([NH3+])[C@@H]1CCCCC[NH2+]1 687688428 571957226 /nfs/dbraw/zinc/95/72/26/571957226.db2.gz MBEGNTQRGJQDAT-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](C)[C@@](C)([NH3+])[C@H]1CCCCC[NH2+]1 687688426 571957289 /nfs/dbraw/zinc/95/72/89/571957289.db2.gz MBEGNTQRGJQDAT-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]1CC[NH2+][C@H](C2([NH3+])CCCCC2)C1 687688711 571957983 /nfs/dbraw/zinc/95/79/83/571957983.db2.gz PTIRBTKADZGZDZ-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@]([NH3+])(C(C)C)[C@@H]1C[C@@H](C)CC[NH2+]1 687688675 571958468 /nfs/dbraw/zinc/95/84/68/571958468.db2.gz MLZZXUGUJRSMCX-SRVKXCTJSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@]([NH3+])(C(C)C)[C@H]1C[C@H](C)CC[NH2+]1 687688677 571958855 /nfs/dbraw/zinc/95/88/55/571958855.db2.gz MLZZXUGUJRSMCX-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]1CC[NH2+][C@H](C2([NH3+])CCCCC2)C1 687688712 571959014 /nfs/dbraw/zinc/95/90/14/571959014.db2.gz PTIRBTKADZGZDZ-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CCC([NH3+])(CC)[C@H]1CCCCC[NH2+]1 687688507 571959044 /nfs/dbraw/zinc/95/90/44/571959044.db2.gz RZGINDXNBKOXRF-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP CCC([NH3+])(CC)[C@@H]1CCCCC[NH2+]1 687688506 571959133 /nfs/dbraw/zinc/95/91/33/571959133.db2.gz RZGINDXNBKOXRF-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CC(C)[NH2+]CCCC[N@@H+]1CC[C@H](C)C1 40725363 571959441 /nfs/dbraw/zinc/95/94/41/571959441.db2.gz HUQROVRPJNAFJF-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](CN(C)C)C1=CCCCCC1 234472675 571960540 /nfs/dbraw/zinc/96/05/40/571960540.db2.gz BMVPQNBUWWVLRA-GFCCVEGCSA-N 2 0 196.338 2.027 10 0 AEAERP CC[C@@]([NH3+])(C(C)C)[C@H]1CCCCC[NH2+]1 687688557 571960103 /nfs/dbraw/zinc/96/01/03/571960103.db2.gz XBVMRHFEIGXZQK-VXGBXAGGSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@]([NH3+])(C(C)C)[C@H]1CCCCC[NH2+]1 687688554 571960139 /nfs/dbraw/zinc/96/01/39/571960139.db2.gz XBVMRHFEIGXZQK-NEPJUHHUSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]1CCCC[C@H]1C[NH2+]CCC[NH3+] 401611751 571960797 /nfs/dbraw/zinc/96/07/97/571960797.db2.gz KEIZNESHWSLXSH-RYUDHWBXSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@H]1CCCC[C@@H]1C[NH2+]CCC[NH3+] 401611750 571960811 /nfs/dbraw/zinc/96/08/11/571960811.db2.gz KEIZNESHWSLXSH-NWDGAFQWSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCC[NH3+] 401611752 571961205 /nfs/dbraw/zinc/96/12/05/571961205.db2.gz KEIZNESHWSLXSH-VXGBXAGGSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@]([NH3+])(C(C)C)[C@@H]1CCCCC[NH2+]1 687688556 571961492 /nfs/dbraw/zinc/96/14/92/571961492.db2.gz XBVMRHFEIGXZQK-RYUDHWBXSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]1CCCC[C@H]1C[NH2+]CCC[NH3+] 401611749 571961771 /nfs/dbraw/zinc/96/17/71/571961771.db2.gz KEIZNESHWSLXSH-NEPJUHHUSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@@H]1CC[NH2+][C@@H](C2([NH3+])CCCC2)C1 687692731 571968071 /nfs/dbraw/zinc/96/80/71/571968071.db2.gz PRFAPUHJGNQZFD-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H]1CC[NH2+][C@H](C2([NH3+])CCCC2)C1 687692733 571968533 /nfs/dbraw/zinc/96/85/33/571968533.db2.gz PRFAPUHJGNQZFD-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H]1CC[NH2+][C@@H](C2([NH3+])CCCC2)C1 687692734 571968640 /nfs/dbraw/zinc/96/86/40/571968640.db2.gz PRFAPUHJGNQZFD-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)CC[N@H+](CC[C@H](C)[NH3+])C1CC1 109274034 571968653 /nfs/dbraw/zinc/96/86/53/571968653.db2.gz OOWGVTVBPMARCG-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CC[N@H+](CC[C@@H](C)[NH3+])C1CC1 109274031 571969068 /nfs/dbraw/zinc/96/90/68/571969068.db2.gz OOWGVTVBPMARCG-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CC[NH2+][C@H](C2([NH3+])CCCC2)C1 687692732 571969269 /nfs/dbraw/zinc/96/92/69/571969269.db2.gz PRFAPUHJGNQZFD-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@H]1CCCCC[NH2+]1 81038783 571970530 /nfs/dbraw/zinc/97/05/30/571970530.db2.gz BKUGTDOMJVTDPI-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)CC[N@H+](CCCC[NH3+])C1CC1 109271960 571970536 /nfs/dbraw/zinc/97/05/36/571970536.db2.gz CQTUUEMJAHWWNT-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)C[NH2+]C[C@H]1CCCCC[NH2+]1 81038204 571971056 /nfs/dbraw/zinc/97/10/56/571971056.db2.gz GRYYXKPVYXGQLN-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)CC[N@@H+](C1CC1)[C@@H](C)CC[NH3+] 109272089 571971399 /nfs/dbraw/zinc/97/13/99/571971399.db2.gz YAKHBBDAUJYDIH-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]([NH3+])C[N@H+](CCC(C)C)C1CC1 109279804 571972450 /nfs/dbraw/zinc/97/24/50/571972450.db2.gz SVWZUZWSFZUJCX-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCCC[NH2+]1 81038777 571972984 /nfs/dbraw/zinc/97/29/84/571972984.db2.gz BKUGTDOMJVTDPI-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@H]([NH3+])C[N@H+](CCC(C)C)C1CC1 109279805 571973298 /nfs/dbraw/zinc/97/32/98/571973298.db2.gz SVWZUZWSFZUJCX-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@@H](C)C[NH2+]CCC[NH2+]C1CC1 81068673 571973398 /nfs/dbraw/zinc/97/33/98/571973398.db2.gz FOMQPXBTJSMLJL-NSHDSACASA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]1 81091972 571974005 /nfs/dbraw/zinc/97/40/05/571974005.db2.gz UTPZFLICWVKRIQ-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@@H](C)C[NH2+]CC[C@H]1CCC[NH2+]1 81091811 571974341 /nfs/dbraw/zinc/97/43/41/571974341.db2.gz ZOIQVIIGCSSKRK-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]1 81069185 571974574 /nfs/dbraw/zinc/97/45/74/571974574.db2.gz UTPZFLICWVKRIQ-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@@H](C)C[NH2+]CC1([NH3+])CCCC1 81068482 571975133 /nfs/dbraw/zinc/97/51/33/571975133.db2.gz VUXXBIUABOSIHR-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H](C)C[NH2+]CC[C@@H]1CCC[NH2+]1 81091802 571975270 /nfs/dbraw/zinc/97/52/70/571975270.db2.gz ZOIQVIIGCSSKRK-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C)C[NH2+]C[C@@]1(C)CCC[NH2+]1 81091999 571975518 /nfs/dbraw/zinc/97/55/18/571975518.db2.gz UTPZFLICWVKRIQ-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C)C[NH2+]CC1([NH3+])CCCC1 81068487 571975541 /nfs/dbraw/zinc/97/55/41/571975541.db2.gz VUXXBIUABOSIHR-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H](C)C[NH2+]CCC[NH2+]C1CC1 81068679 571976007 /nfs/dbraw/zinc/97/60/07/571976007.db2.gz FOMQPXBTJSMLJL-LLVKDONJSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@@H](C)C[NH2+]CC[C@@H]1CCC[NH2+]1 81091792 571976029 /nfs/dbraw/zinc/97/60/29/571976029.db2.gz ZOIQVIIGCSSKRK-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C)C[NH2+]CC[C@H]1CCC[NH2+]1 81091826 571976593 /nfs/dbraw/zinc/97/65/93/571976593.db2.gz ZOIQVIIGCSSKRK-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP CCCC[N@H+](C)[C@@H]1CC[NH2+]CC1(C)C 300828139 571976968 /nfs/dbraw/zinc/97/69/68/571976968.db2.gz JVHRZGPTJGOVFQ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@H](C)C[NH2+]Cc1cnc[nH]1 300840198 571982034 /nfs/dbraw/zinc/98/20/34/571982034.db2.gz DDDOMWUDMISHTJ-JTQLQIEISA-N 2 0 195.310 2.182 10 0 AEAERP CC(C)C[C@@H](C)C[NH2+]Cc1cnc[nH]1 300840199 571982443 /nfs/dbraw/zinc/98/24/43/571982443.db2.gz DDDOMWUDMISHTJ-SNVBAGLBSA-N 2 0 195.310 2.182 10 0 AEAERP CCC[N@H+](CC)[C@@H]1CC[NH2+]CC1(C)C 300845897 571983087 /nfs/dbraw/zinc/98/30/87/571983087.db2.gz MXYXBYVDSZYPAQ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC)[C@H]1CC[NH2+]CC1(C)C 300845900 571984130 /nfs/dbraw/zinc/98/41/30/571984130.db2.gz MXYXBYVDSZYPAQ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[NH2+][C@@H]1CC[NH2+]CC1(C)C 300857521 571989951 /nfs/dbraw/zinc/98/99/51/571989951.db2.gz OROGDAOEMBQJRE-LLVKDONJSA-N 2 0 198.354 2.153 10 0 AEAERP CCC(CC)[NH2+][C@H]1CC[NH2+]CC1(C)C 300857526 571990080 /nfs/dbraw/zinc/99/00/80/571990080.db2.gz OROGDAOEMBQJRE-NSHDSACASA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@@H]([NH3+])[C@H]1CCC[N@H+](C)CC1 74236608 571990269 /nfs/dbraw/zinc/99/02/69/571990269.db2.gz OGVYMJWYFMPQIR-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]([C@H](C)CCC[NH3+])[NH+]1CCCC1 74236768 571991500 /nfs/dbraw/zinc/99/15/00/571991500.db2.gz KUDGDDBFYKZBOO-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CC[N@@H+](CC[C@H](C)CC[NH3+])[C@@H]1C 393446146 571994792 /nfs/dbraw/zinc/99/47/92/571994792.db2.gz HKFDMUKAIBVYPU-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)[C@@H](CC[NH3+])C(C)(C)C 74279745 571995323 /nfs/dbraw/zinc/99/53/23/571995323.db2.gz ACWHYIQLSDEQQN-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H](CC[NH3+])CC[N@@H+]1CC[C@@H](C)[C@H]1C 393446147 571995838 /nfs/dbraw/zinc/99/58/38/571995838.db2.gz HKFDMUKAIBVYPU-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CC[N@@H+](CC[C@H](C)CC[NH3+])[C@H]1C 393446149 571996131 /nfs/dbraw/zinc/99/61/31/571996131.db2.gz HKFDMUKAIBVYPU-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)[C@@H](CC[NH3+])CC(C)C 74279751 571996555 /nfs/dbraw/zinc/99/65/55/571996555.db2.gz XBUZEZWBGNUUFP-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H]1[C@H](C)CC[N@H+]1CC[C@H](C)CC[NH3+] 393446148 571997103 /nfs/dbraw/zinc/99/71/03/571997103.db2.gz HKFDMUKAIBVYPU-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[C@@H](C)C[N@H+]1CC[C@H](C)CC[NH3+] 393447376 571997476 /nfs/dbraw/zinc/99/74/76/571997476.db2.gz IPSNTDYABLUVHV-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]CC[C@H]1CCC[N@@H+]1C1CCCC1 219573941 571998156 /nfs/dbraw/zinc/99/81/56/571998156.db2.gz HNIINRAJJXENOX-GFCCVEGCSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]1C[C@H](C)[N@H+](CC[C@H](C)CC[NH3+])C1 393447382 571998611 /nfs/dbraw/zinc/99/86/11/571998611.db2.gz IPSNTDYABLUVHV-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](CC[NH3+])CC[N@@H+]1C[C@H](C)C[C@H]1C 393447372 571999298 /nfs/dbraw/zinc/99/92/98/571999298.db2.gz IPSNTDYABLUVHV-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[C@@H](C)[N@H+](CC[C@H](C)CC[NH3+])C1 393447367 571999392 /nfs/dbraw/zinc/99/93/92/571999392.db2.gz IPSNTDYABLUVHV-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+]CC1(C(C)C)CC1 234386436 572000000 /nfs/dbraw/zinc/00/00/00/572000000.db2.gz USFDQUIRVKOJBZ-UHFFFAOYSA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+]CCC[N@@H+]1CCCC[C@@H]1CC 33943697 572001754 /nfs/dbraw/zinc/00/17/54/572001754.db2.gz UNIVJAJCEVKJAS-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[C@@H](CC[NH3+])CC[N@H+](C)C1CCCC1 393449990 572003043 /nfs/dbraw/zinc/00/30/43/572003043.db2.gz KZULVTKSEFCLLM-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CCC[C@@H](C)[NH2+]C)CC1CC1 68946802 572003597 /nfs/dbraw/zinc/00/35/97/572003597.db2.gz MPAXDWRBCWAMDO-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H](C)[C@@H](C)N(CC)CC1CC1 68946767 572004101 /nfs/dbraw/zinc/00/41/01/572004101.db2.gz WMNRRXDTGNIKRD-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CC[NH3+])CC[N@H+](C)CCC1CC1 393452428 572004290 /nfs/dbraw/zinc/00/42/90/572004290.db2.gz NFMIMXXGHACSGL-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](CCCC[C@@H](C)[NH3+])CC1CC1 68946741 572004453 /nfs/dbraw/zinc/00/44/53/572004453.db2.gz RWGDGYWEAAYUTN-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+][C@H](C)[C@@H](C)N(CC)CC1CC1 68946770 572004643 /nfs/dbraw/zinc/00/46/43/572004643.db2.gz WMNRRXDTGNIKRD-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H](C)[C@H](C)N(CC)CC1CC1 68946773 572004708 /nfs/dbraw/zinc/00/47/08/572004708.db2.gz WMNRRXDTGNIKRD-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C)[C@H](C)N(CC)CC1CC1 68946771 572005293 /nfs/dbraw/zinc/00/52/93/572005293.db2.gz WMNRRXDTGNIKRD-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H](CC[NH3+])CC[N@H+](C)CCC1CC1 393452430 572005729 /nfs/dbraw/zinc/00/57/29/572005729.db2.gz NFMIMXXGHACSGL-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](CCCC[C@H](C)[NH3+])CC1CC1 68946743 572006177 /nfs/dbraw/zinc/00/61/77/572006177.db2.gz RWGDGYWEAAYUTN-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH3+])C1 393453428 572009573 /nfs/dbraw/zinc/00/95/73/572009573.db2.gz NZXBPZUTEXHOBA-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@H]1[NH2+]CCC[C@H]1C 300228492 572009609 /nfs/dbraw/zinc/00/96/09/572009609.db2.gz PGYYSQINKPLNAC-QJPTWQEYSA-N 2 0 198.354 2.010 10 0 AEAERP CCCCCC[N@H+](CCC[NH3+])C1CC1 34960442 572009702 /nfs/dbraw/zinc/00/97/02/572009702.db2.gz IPHFRQMVRALUMZ-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@@H]1CC[N@H+](CC[C@H](C)CC[NH3+])C1 393453430 572010585 /nfs/dbraw/zinc/01/05/85/572010585.db2.gz NZXBPZUTEXHOBA-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@H+](CCC[NH3+])C1CCCC1 34960474 572011504 /nfs/dbraw/zinc/01/15/04/572011504.db2.gz LAMWVVWPJJCDAG-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@H]1CC[N@H+](CC[C@H](C)CC[NH3+])C1 393453427 572010836 /nfs/dbraw/zinc/01/08/36/572010836.db2.gz NZXBPZUTEXHOBA-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H]1CC[N@H+](CC[C@@H](C)CC[NH3+])C1 393453429 572011029 /nfs/dbraw/zinc/01/10/29/572011029.db2.gz NZXBPZUTEXHOBA-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCCCN(CC[NH2+]C(C)C)C1CC1 42317829 572011589 /nfs/dbraw/zinc/01/15/89/572011589.db2.gz VCVCPQJEULPDMS-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@@H](CC)[N@@H+]1CCC[C@H](N)C1 68988940 572011864 /nfs/dbraw/zinc/01/18/64/572011864.db2.gz RWYFCYXVWABKAP-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+]C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C 300231887 572012064 /nfs/dbraw/zinc/01/20/64/572012064.db2.gz FDUYYWGTVRDTTP-WOPDTQHZSA-N 2 0 198.354 2.010 10 0 AEAERP CCCC[C@@H](CC)[NH+]1CCC([NH3+])CC1 68988912 572012310 /nfs/dbraw/zinc/01/23/10/572012310.db2.gz GETZRCATYZDBKP-GFCCVEGCSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@H](CC)[NH+]1CCC([NH3+])CC1 68988917 572014116 /nfs/dbraw/zinc/01/41/16/572014116.db2.gz GETZRCATYZDBKP-LBPRGKRZSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CC1CC1)C[C@](C)(CC)C[NH3+] 68948402 572013322 /nfs/dbraw/zinc/01/33/22/572013322.db2.gz DWAFNPJPGVHWQI-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](CC[C@@H](C)[NH3+])C1CCCCC1 35221553 572014625 /nfs/dbraw/zinc/01/46/25/572014625.db2.gz PAIPDPVOYZVARR-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+]CCCC[N@H+](CC)CC1CC1 68948650 572014636 /nfs/dbraw/zinc/01/46/36/572014636.db2.gz VNXLFOCRIKDHGB-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCCC[C@H](CC)[N@@H+]1CC[C@H](C[NH3+])C1 68988974 572014323 /nfs/dbraw/zinc/01/43/23/572014323.db2.gz WLCYPPGLPMVDHA-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CC1CC1)[C@H](C)CCC[NH2+]C 68948602 572015044 /nfs/dbraw/zinc/01/50/44/572015044.db2.gz KYCXJZPLYHNWNE-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CCCCC[NH2+]C)CC1CC1 68948673 572015058 /nfs/dbraw/zinc/01/50/58/572015058.db2.gz TUJOIUAYMLLNQY-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 68995008 572015405 /nfs/dbraw/zinc/01/54/05/572015405.db2.gz SPUFRVGDMZRXNA-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](CC[NH3+])CC[NH2+][C@H]1CC[C@@H](C)C1 393456696 572016041 /nfs/dbraw/zinc/01/60/41/572016041.db2.gz PVHPZGFXHGVMFX-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]1CC[C@@H]([NH2+]CC[C@H](C)CC[NH3+])C1 393456692 572016929 /nfs/dbraw/zinc/01/69/29/572016929.db2.gz PVHPZGFXHGVMFX-GRYCIOLGSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CC[NH3+])CC[NH2+][C@@H]1CC[C@@H](C)C1 393456694 572016971 /nfs/dbraw/zinc/01/69/71/572016971.db2.gz PVHPZGFXHGVMFX-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH2+]CC[C@@H](C)[N@H+](CC)CC1CC1 68948651 572017062 /nfs/dbraw/zinc/01/70/62/572017062.db2.gz MBBDBVUIMDZHSA-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](CC(N)=[NH2+])[N@H+](C)C(C)(C)CC 68998856 572017649 /nfs/dbraw/zinc/01/76/49/572017649.db2.gz GFGHEQQVLHMMRM-VIFPVBQESA-N 2 0 199.342 2.211 10 0 AEAERP C[C@@H](CC[NH3+])CC[NH2+]CCCC1CC1 393457252 572017665 /nfs/dbraw/zinc/01/76/65/572017665.db2.gz QEOPTNVENFHKQA-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CC[N@@H+](CC1CCCC1)C[C@@H](C)C[NH3+] 42443146 572017691 /nfs/dbraw/zinc/01/76/91/572017691.db2.gz BJSILSAVYLTKML-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](CC[NH3+])[N@H+](C)C1CCCCC1 35234520 572018098 /nfs/dbraw/zinc/01/80/98/572018098.db2.gz CDJNAWPMIQOQID-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@@H+](CC1CCC1)C[C@H](C)[C@H](C)[NH3+] 300238816 572018150 /nfs/dbraw/zinc/01/81/50/572018150.db2.gz TWHRINZUCRQOCF-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)[N@H+](C)CCC[C@@H](C)[NH3+] 68997102 572018169 /nfs/dbraw/zinc/01/81/69/572018169.db2.gz JNUNBTGEIKVQMD-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CCC(C)(C)[N@H+](C)CCCCC(N)=[NH2+] 68998845 572019248 /nfs/dbraw/zinc/01/92/48/572019248.db2.gz VKEMJRFPBHHZHS-UHFFFAOYSA-N 2 0 199.342 2.213 10 0 AEAERP CC[N@@H+](CC1CCC1)C[C@@H](C)[C@H](C)[NH3+] 300238815 572018845 /nfs/dbraw/zinc/01/88/45/572018845.db2.gz TWHRINZUCRQOCF-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](CC[NH3+])CC[NH2+]CCCC1CC1 393457250 572018872 /nfs/dbraw/zinc/01/88/72/572018872.db2.gz QEOPTNVENFHKQA-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@H](CC[NH3+])[N@H+](C)C1CCCCC1 35234521 572019116 /nfs/dbraw/zinc/01/91/16/572019116.db2.gz CDJNAWPMIQOQID-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+]CCC[N@H+](C)C(C)(C)CC 68997343 572019433 /nfs/dbraw/zinc/01/94/33/572019433.db2.gz DQMSEWPUVBWNIS-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CC[N@H+](CC1CCC1)[C@H](C)[C@H](C)C[NH3+] 300239112 572019602 /nfs/dbraw/zinc/01/96/02/572019602.db2.gz ZFORPXPGBDDSGQ-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)[N@H+](C)CC[C@@H](C)[NH2+]C 68996653 572019631 /nfs/dbraw/zinc/01/96/31/572019631.db2.gz YSXNHRNBAHOFHC-SNVBAGLBSA-N 2 0 186.343 2.105 10 0 AEAERP CCC(C)(C)[N@H+](C)CCC[NH2+]C1CC1 68997154 572019646 /nfs/dbraw/zinc/01/96/46/572019646.db2.gz LFFSBMLWDIFFMY-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CCC(C)(C)[N@H+](C)CC[C@H](C)[NH2+]C 68996659 572020085 /nfs/dbraw/zinc/02/00/85/572020085.db2.gz YSXNHRNBAHOFHC-JTQLQIEISA-N 2 0 186.343 2.105 10 0 AEAERP C[C@@H](CC[NH3+])CC[NH+]1CCCCCC1 393463036 572020565 /nfs/dbraw/zinc/02/05/65/572020565.db2.gz UXFKOBDFUMRKJV-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 69015490 572021111 /nfs/dbraw/zinc/02/11/11/572021111.db2.gz VXXQNZLJNXNUOF-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 69015488 572022530 /nfs/dbraw/zinc/02/25/30/572022530.db2.gz VXXQNZLJNXNUOF-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 69011698 572023469 /nfs/dbraw/zinc/02/34/69/572023469.db2.gz WLNOHPPTWNPSRS-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 69011700 572024053 /nfs/dbraw/zinc/02/40/53/572024053.db2.gz WLNOHPPTWNPSRS-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@H](C)CC[NH3+] 393470227 572024494 /nfs/dbraw/zinc/02/44/94/572024494.db2.gz ZBFZZFJNJCALFP-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H](CC[NH3+])CC[NH2+]CC1(C)CCC1 393467672 572024698 /nfs/dbraw/zinc/02/46/98/572024698.db2.gz XTQCWDDRRPWBIL-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP C[C@H](CC[NH3+])CC[NH2+]CC1(C)CCC1 393467670 572025088 /nfs/dbraw/zinc/02/50/88/572025088.db2.gz XTQCWDDRRPWBIL-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP C[C@@H](CC[NH3+])CC[NH2+][C@H]1CCC1(C)C 393467667 572025099 /nfs/dbraw/zinc/02/50/99/572025099.db2.gz XTHITFGGEWAXIE-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CC[NH3+])CC[NH2+][C@H]1CCC1(C)C 393467665 572025322 /nfs/dbraw/zinc/02/53/22/572025322.db2.gz XTHITFGGEWAXIE-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@@H](C)CC[NH3+] 393470215 572025428 /nfs/dbraw/zinc/02/54/28/572025428.db2.gz ZBFZZFJNJCALFP-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CC[NH3+])CC[NH2+][C@@H]1CCC1(C)C 393467663 572025511 /nfs/dbraw/zinc/02/55/11/572025511.db2.gz XTHITFGGEWAXIE-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[N@H+](CC1CC1)[C@H](CC)CC[NH3+] 35452185 572025799 /nfs/dbraw/zinc/02/57/99/572025799.db2.gz IZRDLBREECPWNS-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH3+])CC[NH2+][C@@H]1CCC1(C)C 393467668 572025998 /nfs/dbraw/zinc/02/59/98/572025998.db2.gz XTHITFGGEWAXIE-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CC[NH3+])CC[NH2+]C1(C)CCCC1 393468701 572026244 /nfs/dbraw/zinc/02/62/44/572026244.db2.gz YJIYPQKPBLYAOX-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H](CC[NH3+])CC[NH2+]C1(C)CCCC1 393468703 572026352 /nfs/dbraw/zinc/02/63/52/572026352.db2.gz YJIYPQKPBLYAOX-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP C[NH2+]Cc1cnc(CCC(C)(C)C)[nH]1 300896365 572028781 /nfs/dbraw/zinc/02/87/81/572028781.db2.gz QHIGRSLSTBHONF-UHFFFAOYSA-N 2 0 195.310 2.108 10 0 AEAERP CC[C@@H]1CC[NH2+][C@@H](C([NH3+])(CC)CC)C1 687775882 572030143 /nfs/dbraw/zinc/03/01/43/572030143.db2.gz GJFATHWVWMLOFS-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 82474703 572033810 /nfs/dbraw/zinc/03/38/10/572033810.db2.gz KEQIXHWCMKKBHR-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC1([NH3+])CC[NH+](CCC)CC1 687701526 572033725 /nfs/dbraw/zinc/03/37/25/572033725.db2.gz GNOFULZXZGBDRA-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@H](CC[NH3+])[N@H+](CC)C1CCCC1 35765217 572034329 /nfs/dbraw/zinc/03/43/29/572034329.db2.gz ADCVWXRNAVXBGR-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 82474701 572034484 /nfs/dbraw/zinc/03/44/84/572034484.db2.gz KEQIXHWCMKKBHR-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 82474702 572035283 /nfs/dbraw/zinc/03/52/83/572035283.db2.gz KEQIXHWCMKKBHR-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[NH+]1CCC([C@H](C)[NH3+])CC1 82474625 572035507 /nfs/dbraw/zinc/03/55/07/572035507.db2.gz ZCLWDKBWNKWZLE-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[NH+]1CCC([C@@H](C)[NH3+])CC1 82474624 572035733 /nfs/dbraw/zinc/03/57/33/572035733.db2.gz ZCLWDKBWNKWZLE-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1CCC[C@@H](C)CC1 82490520 572037421 /nfs/dbraw/zinc/03/74/21/572037421.db2.gz HMRDCBCBZUUWOP-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H](C)CC1 82490490 572037463 /nfs/dbraw/zinc/03/74/63/572037463.db2.gz IZLPJXQUEDJOBM-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@@H](C)CC1 82489159 572037762 /nfs/dbraw/zinc/03/77/62/572037762.db2.gz HWRIXAFLAKUSMI-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CCC[N@@H+]1CCC[C@@H](C)CC1 82489222 572037868 /nfs/dbraw/zinc/03/78/68/572037868.db2.gz YDKXZPUWXUDZIU-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@H]1CCC[N@H+](CCCCC[NH3+])CC1 82488901 572037889 /nfs/dbraw/zinc/03/78/89/572037889.db2.gz SSFNZFBRXRILTQ-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CC[C@H](CC[NH3+])[N@@H+]1CCC[C@H](C)CC1 82488872 572038122 /nfs/dbraw/zinc/03/81/22/572038122.db2.gz KSWDYKNAECKQDV-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 82490486 572038682 /nfs/dbraw/zinc/03/86/82/572038682.db2.gz IZLPJXQUEDJOBM-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CCC[N@H+](C[C@H](C)CC[NH3+])C1 251828830 572039004 /nfs/dbraw/zinc/03/90/04/572039004.db2.gz PUOJVXHWMWLHNY-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H]1CCC[N@@H+](CCC[C@@H](C)[NH3+])CC1 82489042 572039193 /nfs/dbraw/zinc/03/91/93/572039193.db2.gz WHDKXMXMLRWJBN-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH3+])CC1 82490523 572039521 /nfs/dbraw/zinc/03/95/21/572039521.db2.gz HMRDCBCBZUUWOP-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]1CCC[N@H+](C[C@H](C)CC[NH3+])C1 251828833 572039999 /nfs/dbraw/zinc/03/99/99/572039999.db2.gz PUOJVXHWMWLHNY-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)CC1 82490429 572040023 /nfs/dbraw/zinc/04/00/23/572040023.db2.gz AJUVLIVIJVAAQB-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@@H]([NH3+])CCC[N@@H+]1CCC[C@@H](C)CC1 82489040 572040170 /nfs/dbraw/zinc/04/01/70/572040170.db2.gz WHDKXMXMLRWJBN-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@H](C)CC1 82489161 572040209 /nfs/dbraw/zinc/04/02/09/572040209.db2.gz HWRIXAFLAKUSMI-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CCC[N@@H+]([C@@H](CC)CC[NH3+])C1 36169015 572040341 /nfs/dbraw/zinc/04/03/41/572040341.db2.gz WIXFGGSXDLWGKV-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCC[C@@H](CC)C1 36169014 572040657 /nfs/dbraw/zinc/04/06/57/572040657.db2.gz WIXFGGSXDLWGKV-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+]CCC[N@@H+]1CCC[C@H](C)CC1 82489220 572040685 /nfs/dbraw/zinc/04/06/85/572040685.db2.gz YDKXZPUWXUDZIU-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP C[NH2+]CCCC[N@@H+]1CCC[C@H](C)CC1 82490431 572040867 /nfs/dbraw/zinc/04/08/67/572040867.db2.gz AJUVLIVIJVAAQB-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@H]1CCC[NH2+][C@H]1C[NH2+]CC(C)(C)C 235594478 572041579 /nfs/dbraw/zinc/04/15/79/572041579.db2.gz HPKZAAWEBYZBIL-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H]([NH3+])CCC[N@H+](C)CC1CCCC1 82492328 572041685 /nfs/dbraw/zinc/04/16/85/572041685.db2.gz WOFZJYMPBWZELD-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCCCC1([NH3+])CC[NH+](CC)CC1 687702132 572041723 /nfs/dbraw/zinc/04/17/23/572041723.db2.gz KFMBDAIGAHLPJB-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP C[N@H+](CCCCC[NH3+])CC1CCCC1 82491996 572041815 /nfs/dbraw/zinc/04/18/15/572041815.db2.gz WXQMTGYIVKVCMW-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CC[C@@H](CC[NH3+])[N@H+](C)CC1CCCC1 82492013 572042167 /nfs/dbraw/zinc/04/21/67/572042167.db2.gz SUVQIFWZQZQDGF-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CCC[NH3+])[N@H+](C)CC1CCCC1 82493149 572042188 /nfs/dbraw/zinc/04/21/88/572042188.db2.gz KNMCJEQTTAVUSZ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](CCC[NH3+])[N@H+](C)CC1CCCC1 82493150 572042252 /nfs/dbraw/zinc/04/22/52/572042252.db2.gz KNMCJEQTTAVUSZ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+]CCC[N@H+](C)CC1CCCC1 82492360 572042298 /nfs/dbraw/zinc/04/22/98/572042298.db2.gz XKPYBFHPHIIEMZ-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP C[NH2+]CC[C@H](C)[N@H+](C)CC1CCCC1 82493136 572042536 /nfs/dbraw/zinc/04/25/36/572042536.db2.gz CBWQSJBNOPSZKU-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@]1(C[NH2+]C)CCC[N@H+](C)CC1 219723391 572042583 /nfs/dbraw/zinc/04/25/83/572042583.db2.gz MVMWCCPYYGCQEX-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@H](CC[NH3+])[N@H+](C)CC1CCCC1 82492014 572042648 /nfs/dbraw/zinc/04/26/48/572042648.db2.gz SUVQIFWZQZQDGF-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CC[N@H+](C)CC1CCCC1 82492311 572042998 /nfs/dbraw/zinc/04/29/98/572042998.db2.gz ZXBMDSAZTDYJGP-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@@H](C)CC[N@H+](C)CC1CCCC1 82492309 572043256 /nfs/dbraw/zinc/04/32/56/572043256.db2.gz ZXBMDSAZTDYJGP-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH3+])CCC[N@H+](C)CC1CCCC1 82492330 572043267 /nfs/dbraw/zinc/04/32/67/572043267.db2.gz WOFZJYMPBWZELD-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]CC[C@@H](C)[N@H+](C)CC1CCCC1 82493137 572043409 /nfs/dbraw/zinc/04/34/09/572043409.db2.gz CBWQSJBNOPSZKU-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CCCC[N@H+](C)CC1CCCC1 82493111 572043558 /nfs/dbraw/zinc/04/35/58/572043558.db2.gz OZAVVMFXENPHDH-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP C[NH2+][C@@H]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 219725454 572043985 /nfs/dbraw/zinc/04/39/85/572043985.db2.gz BVKTXFGHWFKEFS-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+]C1CCC(C[NH2+]C(C)(C)C)CC1 219725217 572044269 /nfs/dbraw/zinc/04/42/69/572044269.db2.gz PHNSIEVPWPGCNE-UHFFFAOYSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H]1CCCC[N@@H+]1CC[C@@H](C)[NH3+] 212882824 572045078 /nfs/dbraw/zinc/04/50/78/572045078.db2.gz DHEAFGIQKXTISE-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 251838658 572044642 /nfs/dbraw/zinc/04/46/42/572044642.db2.gz LCQVSBGBIUZHPW-USZNOCQGSA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH2+]C[C@@H](C)C[NH2+]CCC1CCC1 229118638 572044648 /nfs/dbraw/zinc/04/46/48/572044648.db2.gz ZUGPXCKDRRTIMK-LLVKDONJSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[C@@H]1CCCC[N@@H+]1CC[C@@H](C)[NH3+] 212882775 572045993 /nfs/dbraw/zinc/04/59/93/572045993.db2.gz DHEAFGIQKXTISE-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC1(C[NH+](C)C)CCC([NH3+])CC1 219723931 572046363 /nfs/dbraw/zinc/04/63/63/572046363.db2.gz QCBPRVOSUNEEOX-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)CCC(C)(C)C 220075611 572049325 /nfs/dbraw/zinc/04/93/25/572049325.db2.gz BFAHLDUCNVAKLD-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 82560833 572049447 /nfs/dbraw/zinc/04/94/47/572049447.db2.gz QWOQZDCQSYJWGG-SRVKXCTJSA-N 2 0 198.354 2.010 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 82560834 572049923 /nfs/dbraw/zinc/04/99/23/572049923.db2.gz QWOQZDCQSYJWGG-QJPTWQEYSA-N 2 0 198.354 2.010 10 0 AEAERP CCN1C[C@H]([NH3+])C[C@@H](CC(C)(C)C)C1 250212612 572050079 /nfs/dbraw/zinc/05/00/79/572050079.db2.gz CTHKQPROVZNDLU-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](CC[NH3+])CCC[NH2+]CC1(C)CC1 235070185 572050462 /nfs/dbraw/zinc/05/04/62/572050462.db2.gz KQQMBLZCACONSK-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 82560832 572050591 /nfs/dbraw/zinc/05/05/91/572050591.db2.gz QWOQZDCQSYJWGG-TUAOUCFPSA-N 2 0 198.354 2.010 10 0 AEAERP CCN1C[C@@H](CC(C)(C)C)C[C@@H]([NH3+])C1 250212609 572050993 /nfs/dbraw/zinc/05/09/93/572050993.db2.gz CTHKQPROVZNDLU-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 82560835 572051228 /nfs/dbraw/zinc/05/12/28/572051228.db2.gz QWOQZDCQSYJWGG-SDDRHHMPSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)CC[N@@H+]1CCC[C@H]1CCC[NH3+] 82596675 572057511 /nfs/dbraw/zinc/05/75/11/572057511.db2.gz PPXBOUCWQTYWFJ-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP [NH3+]CCC[C@H]1CCC[N@@H+]1C1CCCC1 82596682 572057588 /nfs/dbraw/zinc/05/75/88/572057588.db2.gz QYSGGMQLJVFZDC-LBPRGKRZSA-N 2 0 196.338 2.132 10 0 AEAERP CC[C@H](CC[NH3+])[NH+]1CCCCCCC1 36677584 572057742 /nfs/dbraw/zinc/05/77/42/572057742.db2.gz XFXICEHOTVLZKB-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1C1CCCC1 82596684 572057893 /nfs/dbraw/zinc/05/78/93/572057893.db2.gz QYSGGMQLJVFZDC-GFCCVEGCSA-N 2 0 196.338 2.132 10 0 AEAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596640 572058343 /nfs/dbraw/zinc/05/83/43/572058343.db2.gz QTIJLEOQMHTOPL-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](CC[NH3+])[NH+]1CCCCCCC1 36677583 572058722 /nfs/dbraw/zinc/05/87/22/572058722.db2.gz XFXICEHOTVLZKB-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@@H](CC[NH3+])[N@@H+]1C[C@@H](C)C[C@@H](C)C1 36677490 572058987 /nfs/dbraw/zinc/05/89/87/572058987.db2.gz IVUQZXNSGCKQPE-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH+](CCC)[C@@H](CC)CC[NH3+] 36677464 572059050 /nfs/dbraw/zinc/05/90/50/572059050.db2.gz YUTVCROFMVSKHM-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC(C)CC[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596673 572059333 /nfs/dbraw/zinc/05/93/33/572059333.db2.gz PPXBOUCWQTYWFJ-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](CC[NH3+])[N@@H+]1C[C@@H](C)C[C@@H](C)C1 36677491 572059468 /nfs/dbraw/zinc/05/94/68/572059468.db2.gz IVUQZXNSGCKQPE-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH+](CCC)[C@@H](CC)CC(N)=[NH2+] 36678023 572059627 /nfs/dbraw/zinc/05/96/27/572059627.db2.gz DVKBUTCCSMRCQY-JTQLQIEISA-N 2 0 199.342 2.213 10 0 AEAERP CCCCC[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596597 572059906 /nfs/dbraw/zinc/05/99/06/572059906.db2.gz NAVUUMGYQYCRIJ-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596642 572060108 /nfs/dbraw/zinc/06/01/08/572060108.db2.gz QTIJLEOQMHTOPL-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](C[NH3+])C[NH2+]CC1(C)CCCCC1 235097260 572061623 /nfs/dbraw/zinc/06/16/23/572061623.db2.gz YHRDHUHDVXAJGR-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@H](C)[N@H+](CCC[NH3+])C1CCCC1 36732203 572061909 /nfs/dbraw/zinc/06/19/09/572061909.db2.gz HFNQRPDVNQSVQW-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CCC[NH3+])CC1CCCCC1 36731772 572062218 /nfs/dbraw/zinc/06/22/18/572062218.db2.gz VYPKJADAMCHDRQ-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP C[C@@H](C[NH3+])C[NH2+][C@H]1CCC[C@@H](C)CC1 235098374 572062370 /nfs/dbraw/zinc/06/23/70/572062370.db2.gz OZJHTYZCQNPBBR-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)CC[N@H+](CCC[NH3+])C(C)C 36731975 572063103 /nfs/dbraw/zinc/06/31/03/572063103.db2.gz GKMMOKCWQUPCLB-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H](C)CC1 235098176 572063376 /nfs/dbraw/zinc/06/33/76/572063376.db2.gz OZJHTYZCQNPBBR-GRYCIOLGSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](CC[NH3+])[N@H+](C)[C@@H](C)C(C)C 36786676 572064124 /nfs/dbraw/zinc/06/41/24/572064124.db2.gz NVSZWFPPVBASSE-WDEREUQCSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@@H](CC[NH3+])[N@H+](C)[C@@H](C)C(C)C 36786675 572064165 /nfs/dbraw/zinc/06/41/65/572064165.db2.gz NVSZWFPPVBASSE-QWRGUYRKSA-N 2 0 186.343 2.090 10 0 AEAERP C[C@@H](C1CC1)[N@H+](C)CCCCCC[NH3+] 36785628 572064292 /nfs/dbraw/zinc/06/42/92/572064292.db2.gz ZRQGZWAZUPFGRU-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@H+](C)C[C@@H]1CCC[NH2+]C1 36789297 572064544 /nfs/dbraw/zinc/06/45/44/572064544.db2.gz FHYXJOFIPYGERE-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 36786628 572064802 /nfs/dbraw/zinc/06/48/02/572064802.db2.gz YZRTWVJZBRGJTK-QJPTWQEYSA-N 2 0 198.354 2.090 10 0 AEAERP CCC(CC)[N@H+](C)CC1CC[NH2+]CC1 36789291 572064922 /nfs/dbraw/zinc/06/49/22/572064922.db2.gz NFSRPHXSFAOZDR-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H](CC)CC[NH3+] 36788585 572065282 /nfs/dbraw/zinc/06/52/82/572065282.db2.gz IMQGTLYDWXWYLY-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP C[NH2+]CCC[NH2+]CCCC(C)(C)C 300923987 572065576 /nfs/dbraw/zinc/06/55/76/572065576.db2.gz UFWQONVUZFOQCM-UHFFFAOYSA-N 2 0 186.343 2.012 10 0 AEAERP CC[C@@H](C)[NH+]1CCC([C@@H](C)[NH2+]C)CC1 82646774 572066648 /nfs/dbraw/zinc/06/66/48/572066648.db2.gz PITGQLSKHAMYOR-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H](C)[C@@H]1CCCCN1C(C)C 82647091 572065837 /nfs/dbraw/zinc/06/58/37/572065837.db2.gz JGXNUUXZYBMZIZ-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](CC(N)=[NH2+])[N@H+](C)[C@@H](C)C(C)C 36787473 572066649 /nfs/dbraw/zinc/06/66/49/572066649.db2.gz PDUNXHUSIKMOIS-UWVGGRQHSA-N 2 0 199.342 2.067 10 0 AEAERP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C)C1 82646485 572065873 /nfs/dbraw/zinc/06/58/73/572065873.db2.gz DXYJCQCBHHZCTB-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[NH+]1CCC([C@H](C)[NH2+]C)CC1 82646725 572065938 /nfs/dbraw/zinc/06/59/38/572065938.db2.gz ZYDRNPBOKWOFRU-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCN1CCCC[C@H]1[C@@H](C)[NH2+]CC 82647129 572065979 /nfs/dbraw/zinc/06/59/79/572065979.db2.gz OUZNQDVBNPVXCE-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 36788556 572066074 /nfs/dbraw/zinc/06/60/74/572066074.db2.gz INPXVYWEPZZFBM-ZYHUDNBSSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CC 82647156 572066088 /nfs/dbraw/zinc/06/60/88/572066088.db2.gz AZZGWNWUGZMOHQ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCCN1CCCC[C@@H]1[C@@H](C)[NH2+]CC 82647128 572066332 /nfs/dbraw/zinc/06/63/32/572066332.db2.gz OUZNQDVBNPVXCE-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C(C)C)C1 82646641 572066374 /nfs/dbraw/zinc/06/63/74/572066374.db2.gz YXAADTUAPXKLDR-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+][C@@H](C)[C@H]1CCCCN1CC 82647158 572066836 /nfs/dbraw/zinc/06/68/36/572066836.db2.gz AZZGWNWUGZMOHQ-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](CC(N)=[NH2+])[N@H+](C)[C@@H](C)C(C)C 36787474 572067046 /nfs/dbraw/zinc/06/70/46/572067046.db2.gz PDUNXHUSIKMOIS-VHSXEESVSA-N 2 0 199.342 2.067 10 0 AEAERP CCC[NH2+][C@H](C)[C@H]1CCCCN1CC 82647159 572067246 /nfs/dbraw/zinc/06/72/46/572067246.db2.gz AZZGWNWUGZMOHQ-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(C)C 82647090 572067757 /nfs/dbraw/zinc/06/77/57/572067757.db2.gz JGXNUUXZYBMZIZ-RYUDHWBXSA-N 2 0 198.354 2.247 10 0 AEAERP CCC(CC)[N@H+](C)C[C@H]1CCC[NH2+]C1 36789298 572067629 /nfs/dbraw/zinc/06/76/29/572067629.db2.gz FHYXJOFIPYGERE-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646484 572067703 /nfs/dbraw/zinc/06/77/03/572067703.db2.gz DXYJCQCBHHZCTB-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@H+](C)[C@H](CC)CC[NH3+] 36788586 572067927 /nfs/dbraw/zinc/06/79/27/572067927.db2.gz IMQGTLYDWXWYLY-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CCC(CC)[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 36788557 572068021 /nfs/dbraw/zinc/06/80/21/572068021.db2.gz INPXVYWEPZZFBM-PWSUYJOCSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](C1CC1)[N@H+](C)CCCCCC[NH3+] 36785629 572068058 /nfs/dbraw/zinc/06/80/58/572068058.db2.gz ZRQGZWAZUPFGRU-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+][C@H](C)[C@H]1CCCCN1C(C)C 82647093 572068102 /nfs/dbraw/zinc/06/81/02/572068102.db2.gz JGXNUUXZYBMZIZ-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](C)[NH+]1CCC([C@H](C)[NH2+]C)CC1 82646776 572068288 /nfs/dbraw/zinc/06/82/88/572068288.db2.gz PITGQLSKHAMYOR-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C(C)C)C1 82646638 572068370 /nfs/dbraw/zinc/06/83/70/572068370.db2.gz YXAADTUAPXKLDR-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646551 572069225 /nfs/dbraw/zinc/06/92/25/572069225.db2.gz MPMSDLNDPTZJES-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1C[C@H]1C[N@@H+](C)CCCC[C@@H](C)[NH3+] 82648364 572068629 /nfs/dbraw/zinc/06/86/29/572068629.db2.gz AWVYKZKFHNLQRA-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 36790003 572068675 /nfs/dbraw/zinc/06/86/75/572068675.db2.gz SVWQCQQAABNTSR-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C(C)C)C1 82646639 572068725 /nfs/dbraw/zinc/06/87/25/572068725.db2.gz YXAADTUAPXKLDR-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+][C@H](C)[C@@H]1CCCCN1CC 82647157 572068784 /nfs/dbraw/zinc/06/87/84/572068784.db2.gz AZZGWNWUGZMOHQ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646550 572068973 /nfs/dbraw/zinc/06/89/73/572068973.db2.gz MPMSDLNDPTZJES-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H](CC)CC(N)=[NH2+] 36790839 572069027 /nfs/dbraw/zinc/06/90/27/572069027.db2.gz MRVZJMRLEZBRMG-UWVGGRQHSA-N 2 0 199.342 2.211 10 0 AEAERP CCCC[NH+]1CCC([C@@H](C)[NH2+]C)CC1 82646724 572069035 /nfs/dbraw/zinc/06/90/35/572069035.db2.gz ZYDRNPBOKWOFRU-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H](C)[C@H]1CCCCN1C(C)C 82647092 572069093 /nfs/dbraw/zinc/06/90/93/572069093.db2.gz JGXNUUXZYBMZIZ-NWDGAFQWSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](N)C[N@H+](CC)C1CCCCC1 36871987 572069184 /nfs/dbraw/zinc/06/91/84/572069184.db2.gz KWQDGQOLEUAVRS-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC1(C)C 300926389 572069196 /nfs/dbraw/zinc/06/91/96/572069196.db2.gz ZGERKPYZXXDRLF-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC1(C)C 300926395 572069216 /nfs/dbraw/zinc/06/92/16/572069216.db2.gz ZGERKPYZXXDRLF-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H]1CCCC[C@@H]1[N@H+](C)CCC[NH3+] 82657651 572070146 /nfs/dbraw/zinc/07/01/46/572070146.db2.gz BJACJOHXRPRTID-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@@H](CC)CC(N)=[NH2+] 36790837 572070383 /nfs/dbraw/zinc/07/03/83/572070383.db2.gz MRVZJMRLEZBRMG-ZJUUUORDSA-N 2 0 199.342 2.211 10 0 AEAERP CC[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)CC)C1 82651685 572070571 /nfs/dbraw/zinc/07/05/71/572070571.db2.gz WUFFSLSWIFNNHZ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@@H]1C 82651200 572070711 /nfs/dbraw/zinc/07/07/11/572070711.db2.gz DBQGIORKUDUUEP-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[C@@H]1C[N@H+](C)CCCCCC[NH3+] 82651228 572070741 /nfs/dbraw/zinc/07/07/41/572070741.db2.gz HRXCLGNMDVPIOW-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCC[NH3+] 82657650 572070911 /nfs/dbraw/zinc/07/09/11/572070911.db2.gz BJACJOHXRPRTID-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@@H](CC)CC[NH3+] 36790050 572071304 /nfs/dbraw/zinc/07/13/04/572071304.db2.gz PIXNJUIHHZIMNP-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H]1CCCC[C@H]1[N@H+](C)CCC[NH3+] 82657652 572071079 /nfs/dbraw/zinc/07/10/79/572071079.db2.gz BJACJOHXRPRTID-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CCC[NH3+])C[NH2+]CC1(C)CCC1 235102379 572071088 /nfs/dbraw/zinc/07/10/88/572071088.db2.gz NARNFRXSGMFHPG-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CC[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)CC)C1 82651686 572071541 /nfs/dbraw/zinc/07/15/41/572071541.db2.gz WUFFSLSWIFNNHZ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1C[C@@H]1C[N@H+](C)CCCCCC[NH3+] 82651227 572071581 /nfs/dbraw/zinc/07/15/81/572071581.db2.gz HRXCLGNMDVPIOW-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H]1CCCC[C@H]1[N@H+](C)CCC[NH3+] 82657653 572071678 /nfs/dbraw/zinc/07/16/78/572071678.db2.gz BJACJOHXRPRTID-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@@H]1C 82651201 572072076 /nfs/dbraw/zinc/07/20/76/572072076.db2.gz DBQGIORKUDUUEP-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](N)C[N@H+](CC)C1CCCCC1 36871988 572072297 /nfs/dbraw/zinc/07/22/97/572072297.db2.gz KWQDGQOLEUAVRS-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H]1C[C@H]1C[N@H+](C)CCCCCC[NH3+] 82651230 572072754 /nfs/dbraw/zinc/07/27/54/572072754.db2.gz HRXCLGNMDVPIOW-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]CCCC[NH2+]CC1(C)CCCC1 82625830 572073238 /nfs/dbraw/zinc/07/32/38/572073238.db2.gz XNVBUUVLZYHBBX-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP CCCCC[N@H+](C)C[C@H]([NH3+])CCC 36873650 572073299 /nfs/dbraw/zinc/07/32/99/572073299.db2.gz XJDCGVZGDGCTRR-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCC[NH2+]CC[NH2+]CC1(C)CCCC1 82625823 572073538 /nfs/dbraw/zinc/07/35/38/572073538.db2.gz DKKYWJIVULJMIN-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP CCCCCC[N@H+](CC)CCC[NH3+] 36883447 572073722 /nfs/dbraw/zinc/07/37/22/572073722.db2.gz XVXTUZRAVIMXEU-UHFFFAOYSA-N 2 0 186.343 2.237 10 0 AEAERP CCC[C@H]([NH3+])C[NH2+]CC1(C)CCCC1 82625805 572073815 /nfs/dbraw/zinc/07/38/15/572073815.db2.gz LTCPGNLVRFZHLF-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCCCC[N@H+](CCC)CCC[NH3+] 36883450 572074061 /nfs/dbraw/zinc/07/40/61/572074061.db2.gz FWDIZEQWSJBSLZ-UHFFFAOYSA-N 2 0 186.343 2.237 10 0 AEAERP CC[N@H+](CCC[NH3+])C1CCCCCC1 36883492 572074093 /nfs/dbraw/zinc/07/40/93/572074093.db2.gz ZCCAYWYMKOICKZ-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC(C)[C@H]([NH3+])C[NH2+]CC1(C)CCCC1 82625803 572074337 /nfs/dbraw/zinc/07/43/37/572074337.db2.gz QHFZPITXDQDFSU-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H](C[NH3+])CCC[NH2+]CC1(C)CCC1 235103480 572074521 /nfs/dbraw/zinc/07/45/21/572074521.db2.gz YJNCAWNRPYQZHX-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC(C)[C@@H]([NH3+])C[NH2+]CC1(C)CCCC1 82625804 572074897 /nfs/dbraw/zinc/07/48/97/572074897.db2.gz QHFZPITXDQDFSU-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+]CC1(C)CCCC1 82625858 572075054 /nfs/dbraw/zinc/07/50/54/572075054.db2.gz OMNYIDAKQFQKRS-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@@H]([NH3+])C[NH2+]CC1(C)CCCC1 82625806 572075374 /nfs/dbraw/zinc/07/53/74/572075374.db2.gz LTCPGNLVRFZHLF-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[NH2+]CCC[NH2+]CC1(C)CCCC1 82625886 572075439 /nfs/dbraw/zinc/07/54/39/572075439.db2.gz ACUVPELBOIHNEW-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP CCC[N@H+](CCC[NH3+])C1CCCCC1 36883456 572075469 /nfs/dbraw/zinc/07/54/69/572075469.db2.gz BCWDUOBUPGIWRH-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC(C)[NH2+]CC[NH2+]CC1(C)CCCC1 82625869 572075529 /nfs/dbraw/zinc/07/55/29/572075529.db2.gz LDNXMZIKZJCMEG-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[N@H+](CCC[NH3+])CCC(C)C 36883451 572075810 /nfs/dbraw/zinc/07/58/10/572075810.db2.gz WFWYHOGRXXEFSG-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CCCCC[N@H+](C)C[C@@H]([NH3+])CCC 36873651 572075892 /nfs/dbraw/zinc/07/58/92/572075892.db2.gz XJDCGVZGDGCTRR-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCC(CC)[C@@H](C)[NH+]1CCC([NH3+])CC1 82633019 572076059 /nfs/dbraw/zinc/07/60/59/572076059.db2.gz QWXMHVLROVLACR-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 82633099 572076750 /nfs/dbraw/zinc/07/67/50/572076750.db2.gz PRNLPMJWLDFSDF-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(CC)[C@H](C)[NH2+]C1CC[NH2+]CC1 82631177 572076872 /nfs/dbraw/zinc/07/68/72/572076872.db2.gz ZQYDRVOWAAGWLT-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CCC(CC)[C@H](C)[NH+]1CCC([NH3+])CC1 82633021 572076938 /nfs/dbraw/zinc/07/69/38/572076938.db2.gz QWXMHVLROVLACR-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 82633102 572076980 /nfs/dbraw/zinc/07/69/80/572076980.db2.gz PRNLPMJWLDFSDF-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(CC)[C@@H](C)[NH2+]C1CC[NH2+]CC1 82631175 572077120 /nfs/dbraw/zinc/07/71/20/572077120.db2.gz ZQYDRVOWAAGWLT-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[N@H+](CC)[C@@H](CC)CC[NH3+] 36986757 572078079 /nfs/dbraw/zinc/07/80/79/572078079.db2.gz RESXQVGEOYNMGM-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 36997056 572078083 /nfs/dbraw/zinc/07/80/83/572078083.db2.gz KRCFFUUODUZYFF-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 36997055 572078173 /nfs/dbraw/zinc/07/81/73/572078173.db2.gz KRCFFUUODUZYFF-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[N@H+](CC)[C@@H](CC)CC(N)=[NH2+] 36986979 572079331 /nfs/dbraw/zinc/07/93/31/572079331.db2.gz GSZUVAAJKDCUTD-JTQLQIEISA-N 2 0 199.342 2.213 10 0 AEAERP CCCC[N@H+](CC)[C@H](CC)CC[NH3+] 36986758 572079615 /nfs/dbraw/zinc/07/96/15/572079615.db2.gz RESXQVGEOYNMGM-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666716 572079684 /nfs/dbraw/zinc/07/96/84/572079684.db2.gz UPBMZAZKMCGPFC-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CCC[NH2+]CC1 82666630 572079869 /nfs/dbraw/zinc/07/98/69/572079869.db2.gz IMIZGWOUNXSGIQ-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645626 572080417 /nfs/dbraw/zinc/08/04/17/572080417.db2.gz XWBZBTUPGYJCRV-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+]1CCC([NH3+])(CC(C)(C)C)CC1 713209646 572079939 /nfs/dbraw/zinc/07/99/39/572079939.db2.gz WMLMRSCFTGGNHZ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666711 572080132 /nfs/dbraw/zinc/08/01/32/572080132.db2.gz OUTXAGKMMFXXRZ-GFCCVEGCSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH+](CCC)[C@H]1CCC[NH2+]CC1 82666631 572080794 /nfs/dbraw/zinc/08/07/94/572080794.db2.gz IMIZGWOUNXSGIQ-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[N@H+](C1CC1)[C@@H]1CCC[NH2+]CC1 82669167 572081841 /nfs/dbraw/zinc/08/18/41/572081841.db2.gz DZFUALWGDBPIKN-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 82669169 572082532 /nfs/dbraw/zinc/08/25/32/572082532.db2.gz VQIGXOXZKHIURT-GFCCVEGCSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[N@H+](CC)[C@@H]1CCC[NH2+]CC1 82669165 572082549 /nfs/dbraw/zinc/08/25/49/572082549.db2.gz FBPUPOBYAOGMGR-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H]1CCC[NH2+]CC1 82669166 572082600 /nfs/dbraw/zinc/08/26/00/572082600.db2.gz FBPUPOBYAOGMGR-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 82669170 572083315 /nfs/dbraw/zinc/08/33/15/572083315.db2.gz VQIGXOXZKHIURT-LBPRGKRZSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](C1CC1)[C@H]1CCC[NH2+]CC1 82669168 572083791 /nfs/dbraw/zinc/08/37/91/572083791.db2.gz DZFUALWGDBPIKN-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCC[C@@H]1CC 37082858 572084507 /nfs/dbraw/zinc/08/45/07/572084507.db2.gz BWGVBMVDDOQEIQ-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@H](C)C[NH2+]CCNC1CC1 300932293 572084904 /nfs/dbraw/zinc/08/49/04/572084904.db2.gz MRRQOSOAXCYSSJ-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@@H](C)C[NH2+]CCNC1CC1 300932289 572085616 /nfs/dbraw/zinc/08/56/16/572085616.db2.gz MRRQOSOAXCYSSJ-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP C[N@H+](CCC(C)(C)C)CC1CC([NH3+])C1 84984625 572087704 /nfs/dbraw/zinc/08/77/04/572087704.db2.gz KTQIAQBZPXUBQR-UHFFFAOYSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@@H](CC)C[NH+]1CC(C[NH3+])C1 84988226 572087710 /nfs/dbraw/zinc/08/77/10/572087710.db2.gz MJDPASVPBZVTIP-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@H](CC)C[NH+]1CC(C[NH3+])C1 84988227 572087497 /nfs/dbraw/zinc/08/74/97/572087497.db2.gz MJDPASVPBZVTIP-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](CC[C@@H]1CCCC[NH2+]1)C(C)C 37082390 572088043 /nfs/dbraw/zinc/08/80/43/572088043.db2.gz YFXMWHYXSSCSNM-LBPRGKRZSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](CC[C@H]1CCCC[NH2+]1)C(C)C 37082391 572088057 /nfs/dbraw/zinc/08/80/57/572088057.db2.gz YFXMWHYXSSCSNM-GFCCVEGCSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCC[C@H]1CC 37082857 572088096 /nfs/dbraw/zinc/08/80/96/572088096.db2.gz BWGVBMVDDOQEIQ-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCCCCC[N@H+](C)CC1CC([NH3+])C1 84984566 572088470 /nfs/dbraw/zinc/08/84/70/572088470.db2.gz HKALEGYBUYABSE-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)C[N@H+](C)CC1CC([NH3+])C1 84984882 572089092 /nfs/dbraw/zinc/08/90/92/572089092.db2.gz OLWCTJHXMVKVCQ-VOMCLLRMSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC)CC[C@@H]1CCCC[NH2+]1 37095166 572089139 /nfs/dbraw/zinc/08/91/39/572089139.db2.gz MRAJNVDEZGFGMZ-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C(C)C 37096357 572089686 /nfs/dbraw/zinc/08/96/86/572089686.db2.gz ARAIYHRGKKZYCU-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC1CC[NH2+]CC1)C(C)C 37096359 572090024 /nfs/dbraw/zinc/09/00/24/572090024.db2.gz WJMPDXMAIZEFFW-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 85014573 572090512 /nfs/dbraw/zinc/09/05/12/572090512.db2.gz QLMHEEVVBWXJSS-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85015091 572090540 /nfs/dbraw/zinc/09/05/40/572090540.db2.gz WKHCQGPGCRWLQR-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014576 572090575 /nfs/dbraw/zinc/09/05/75/572090575.db2.gz LSBNDOOBHLNIHE-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CC[N@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85015097 572090640 /nfs/dbraw/zinc/09/06/40/572090640.db2.gz WKHCQGPGCRWLQR-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[N@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014581 572090729 /nfs/dbraw/zinc/09/07/29/572090729.db2.gz LSBNDOOBHLNIHE-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)C[C@H]1CC[C@@H]([NH3+])C1 85014330 572090752 /nfs/dbraw/zinc/09/07/52/572090752.db2.gz CXOIUANSMCBBLJ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014679 572090849 /nfs/dbraw/zinc/09/08/49/572090849.db2.gz ACNOLUOQRUFWFT-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](C[C@H]1CC[C@H]([NH3+])C1)C(C)C 85014537 572090937 /nfs/dbraw/zinc/09/09/37/572090937.db2.gz HGFBPXISVSLYBF-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014685 572090952 /nfs/dbraw/zinc/09/09/52/572090952.db2.gz ZQCXGWAVAFKKRC-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](CC)CC[C@H]1CCCC[NH2+]1 37095167 572091047 /nfs/dbraw/zinc/09/10/47/572091047.db2.gz MRAJNVDEZGFGMZ-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[N@H+](CC(C)C)C[C@@H]1CC[C@H]([NH3+])C1 85014564 572091060 /nfs/dbraw/zinc/09/10/60/572091060.db2.gz AZXGWRUWHVWMFH-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C 85014535 572091345 /nfs/dbraw/zinc/09/13/45/572091345.db2.gz HGFBPXISVSLYBF-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CCCN(C)[C@H](C[NH3+])c1ccsc1 37098030 572092307 /nfs/dbraw/zinc/09/23/07/572092307.db2.gz JHAUKONTDOWDNT-SNVBAGLBSA-N 2 0 198.335 2.090 10 0 AEAERP CC[N@H+](C(C)C)[C@H](C)C[C@H](C)[NH2+]C 250060467 572091442 /nfs/dbraw/zinc/09/14/42/572091442.db2.gz OXOJJKBMDGWYTJ-WDEREUQCSA-N 2 0 186.343 2.103 10 0 AEAERP CC[N@H+](CC(C)C)C[C@H]1CC[C@H]([NH3+])C1 85014567 572091459 /nfs/dbraw/zinc/09/14/59/572091459.db2.gz AZXGWRUWHVWMFH-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85016042 572091463 /nfs/dbraw/zinc/09/14/63/572091463.db2.gz BDRQHOWKTTVTNU-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](C[C@H](N)C(C)(C)C)C1CC1 37097135 572091509 /nfs/dbraw/zinc/09/15/09/572091509.db2.gz MBRQVVUFUIDAAY-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC(C)(C)C 85015517 572091585 /nfs/dbraw/zinc/09/15/85/572091585.db2.gz WBROTDPNGFGHBM-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85015642 572092282 /nfs/dbraw/zinc/09/22/82/572092282.db2.gz PCBTVNJLLUVDOA-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[N@H+](C(C)C)[C@H](CC)CC[NH3+] 37095661 572091657 /nfs/dbraw/zinc/09/16/57/572091657.db2.gz KDEQUBZIXHDRPY-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CCC(CC)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014678 572091878 /nfs/dbraw/zinc/09/18/78/572091878.db2.gz ACNOLUOQRUFWFT-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85016045 572091917 /nfs/dbraw/zinc/09/19/17/572091917.db2.gz BDRQHOWKTTVTNU-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85015649 572091920 /nfs/dbraw/zinc/09/19/20/572091920.db2.gz PCBTVNJLLUVDOA-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP C[N@H+](C[C@H]1CC[C@H]([NH3+])C1)CC(C)(C)C 85015519 572091961 /nfs/dbraw/zinc/09/19/61/572091961.db2.gz WBROTDPNGFGHBM-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCCN(C)[C@@H](C[NH3+])c1ccsc1 37098029 572091981 /nfs/dbraw/zinc/09/19/81/572091981.db2.gz JHAUKONTDOWDNT-JTQLQIEISA-N 2 0 198.335 2.090 10 0 AEAERP CCCC[N@H+](CC)C[C@H]1CC[C@H]([NH3+])C1 85014346 572092030 /nfs/dbraw/zinc/09/20/30/572092030.db2.gz RQMJDCHPKXRUBC-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[N@H+](C)CC1(N)CCCCC1 37108718 572092172 /nfs/dbraw/zinc/09/21/72/572092172.db2.gz BAKKQLISUPIPEX-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)C[C@@H]1CC[C@@H]([NH3+])C1 85014327 572092216 /nfs/dbraw/zinc/09/22/16/572092216.db2.gz CXOIUANSMCBBLJ-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 85014344 572092236 /nfs/dbraw/zinc/09/22/36/572092236.db2.gz RQMJDCHPKXRUBC-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)C[C@@H]1CC[C@H]([NH3+])C1 85014322 572092359 /nfs/dbraw/zinc/09/23/59/572092359.db2.gz CXOIUANSMCBBLJ-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)C[C@H]1CC[C@H]([NH3+])C1 85014325 572092353 /nfs/dbraw/zinc/09/23/53/572092353.db2.gz CXOIUANSMCBBLJ-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014589 572092531 /nfs/dbraw/zinc/09/25/31/572092531.db2.gz BEYJMMHDKBCKBY-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](C[C@H]([NH3+])[C@@H](C)CC)C1CC1 37097469 572093455 /nfs/dbraw/zinc/09/34/55/572093455.db2.gz HWPDRVGNNVSIQY-JQWIXIFHSA-N 2 0 198.354 2.234 10 0 AEAERP CCCN(C[C@H]1CCCC[NH2+]1)C1CC1 37097481 572094590 /nfs/dbraw/zinc/09/45/90/572094590.db2.gz ILAOMORJAKDISK-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCCN(C[C@@H]1CCCC[NH2+]1)C1CC1 37097480 572094780 /nfs/dbraw/zinc/09/47/80/572094780.db2.gz ILAOMORJAKDISK-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CCC[N@H+](C[C@@H]([NH3+])[C@@H](C)CC)C1CC1 37097470 572094856 /nfs/dbraw/zinc/09/48/56/572094856.db2.gz HWPDRVGNNVSIQY-CMPLNLGQSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](CC(N)=[NH2+])[N@H+](CC)CC(C)C 37111654 572096471 /nfs/dbraw/zinc/09/64/71/572096471.db2.gz GITLJDLOOSMCTQ-JTQLQIEISA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@@H](CC[NH3+])[N@H+](CC)CC(C)C 37111008 572096646 /nfs/dbraw/zinc/09/66/46/572096646.db2.gz HWXAONXEEPPGKL-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H](CC)CC[NH3+] 37112426 572096726 /nfs/dbraw/zinc/09/67/26/572096726.db2.gz ZAFSRMBYNOMLGY-QWRGUYRKSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 37110361 572097788 /nfs/dbraw/zinc/09/77/88/572097788.db2.gz JWGAZIHOPKJHIO-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H](CC)CC(N)=[NH2+] 37113318 572097743 /nfs/dbraw/zinc/09/77/43/572097743.db2.gz FAGXOPCAESEMQR-UWVGGRQHSA-N 2 0 199.342 2.211 10 0 AEAERP CC[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 37110360 572097820 /nfs/dbraw/zinc/09/78/20/572097820.db2.gz JWGAZIHOPKJHIO-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](CC[NH3+])[N@H+](CC)CC(C)C 37111009 572098782 /nfs/dbraw/zinc/09/87/82/572098782.db2.gz HWXAONXEEPPGKL-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](CC(N)=[NH2+])[N@H+](CC)CC(C)C 37111655 572099132 /nfs/dbraw/zinc/09/91/32/572099132.db2.gz GITLJDLOOSMCTQ-SNVBAGLBSA-N 2 0 199.342 2.069 10 0 AEAERP CC[N@H+](CC(C)C)[C@H]1CCC[C@@H]1C[NH3+] 37159688 572101726 /nfs/dbraw/zinc/10/17/26/572101726.db2.gz SNNMRWFNHZHSGQ-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 37159635 572101752 /nfs/dbraw/zinc/10/17/52/572101752.db2.gz UFFOQEGLIHSHSL-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)CC)C1 37159128 572101932 /nfs/dbraw/zinc/10/19/32/572101932.db2.gz BTEWHMPBXCEUNK-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] 37157027 572101951 /nfs/dbraw/zinc/10/19/51/572101951.db2.gz HCNVLCGSLSFHHH-QJPTWQEYSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](CC(C)C)[C@@H]1CCC[C@@H]1C[NH3+] 37159686 572102006 /nfs/dbraw/zinc/10/20/06/572102006.db2.gz SNNMRWFNHZHSGQ-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC)[C@H]1CCCC[C@@H]1C[NH3+] 37159425 572102043 /nfs/dbraw/zinc/10/20/43/572102043.db2.gz DCFXGHYTFMKXJP-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] 37159593 572102095 /nfs/dbraw/zinc/10/20/95/572102095.db2.gz CUKKYGPMSCTJHK-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 37159591 572102138 /nfs/dbraw/zinc/10/21/38/572102138.db2.gz CUKKYGPMSCTJHK-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 37157023 572102195 /nfs/dbraw/zinc/10/21/95/572102195.db2.gz HCNVLCGSLSFHHH-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](C)[C@H]1CCCCC[C@@H]1C[NH3+] 37159538 572102203 /nfs/dbraw/zinc/10/22/03/572102203.db2.gz KTWOVKNIPNIDJU-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)[C@H]1CCC[C@H]1C[NH3+] 37157666 572102215 /nfs/dbraw/zinc/10/22/15/572102215.db2.gz BHANQMUKEKPUKX-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CCC[C@@H]1C[NH3+] 37157660 572102240 /nfs/dbraw/zinc/10/22/40/572102240.db2.gz BHANQMUKEKPUKX-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C)C1 37158275 572102276 /nfs/dbraw/zinc/10/22/76/572102276.db2.gz KIJFRIGYJMTRCV-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@@H]1C[NH3+] 37159732 572102308 /nfs/dbraw/zinc/10/23/08/572102308.db2.gz FUEPOFPNXLFPGH-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[N@H+](CC)[C@H]1CCC[C@@H]1C[NH3+] 37158548 572102438 /nfs/dbraw/zinc/10/24/38/572102438.db2.gz RCRIEAVOUXEZSD-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](CC)[C@@H]1CCC[C@@H]1C[NH3+] 37158546 572102461 /nfs/dbraw/zinc/10/24/61/572102461.db2.gz RCRIEAVOUXEZSD-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C(C)C)[C@H]1CCC[C@@H]1C[NH3+] 37159467 572102480 /nfs/dbraw/zinc/10/24/80/572102480.db2.gz PVEQBKXYGPZMKM-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C)C1 37158279 572102492 /nfs/dbraw/zinc/10/24/92/572102492.db2.gz KIJFRIGYJMTRCV-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC)[C@@H]1CCCC[C@@H]1C[NH3+] 37159423 572102513 /nfs/dbraw/zinc/10/25/13/572102513.db2.gz DCFXGHYTFMKXJP-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H]1CCC[C@@H]1C[NH3+] 37159465 572102538 /nfs/dbraw/zinc/10/25/38/572102538.db2.gz PVEQBKXYGPZMKM-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[NH+](CCC)[C@H]1CCC[C@@H]1C[NH3+] 37157662 572102617 /nfs/dbraw/zinc/10/26/17/572102617.db2.gz BHANQMUKEKPUKX-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CCC[C@H]1C[NH3+] 37157664 572102657 /nfs/dbraw/zinc/10/26/57/572102657.db2.gz BHANQMUKEKPUKX-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] 37159536 572102721 /nfs/dbraw/zinc/10/27/21/572102721.db2.gz KTWOVKNIPNIDJU-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 37159532 572102778 /nfs/dbraw/zinc/10/27/78/572102778.db2.gz QQRQZAHNFJTHIB-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)CC)C1 37159124 572102791 /nfs/dbraw/zinc/10/27/91/572102791.db2.gz BTEWHMPBXCEUNK-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)C[C@H](C)CC 37173352 572103722 /nfs/dbraw/zinc/10/37/22/572103722.db2.gz NXOJRUWTWFGPQJ-ZJUUUORDSA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@@H](CC)CC(N)=[NH2+] 37173353 572104065 /nfs/dbraw/zinc/10/40/65/572104065.db2.gz NXOJRUWTWFGPQJ-UWVGGRQHSA-N 2 0 199.342 2.069 10 0 AEAERP CC(C)[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801980 572105306 /nfs/dbraw/zinc/10/53/06/572105306.db2.gz GMFQCEHCICMHBN-MNOVXSKESA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801981 572105350 /nfs/dbraw/zinc/10/53/50/572105350.db2.gz GMFQCEHCICMHBN-GHMZBOCLSA-N 2 0 198.354 2.233 10 0 AEAERP [NH3+]C1(CC[NH2+]C2CCCC2)CCCC1 82773060 572107499 /nfs/dbraw/zinc/10/74/99/572107499.db2.gz GJXVMDHAVRJDMQ-UHFFFAOYSA-N 2 0 196.338 2.180 10 0 AEAERP CC[NH+](CC)CCC1([NH3+])CCCCC1 82772809 572107468 /nfs/dbraw/zinc/10/74/68/572107468.db2.gz JXAIDKUFPFSZDI-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@H](C)[N@H+](C)CCC1([NH3+])CCCC1 82772905 572107475 /nfs/dbraw/zinc/10/74/75/572107475.db2.gz MLZQSMASGWSHTI-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H]1C[C@@H]1[NH2+]CCC1([NH3+])CCCCC1 82773345 572106696 /nfs/dbraw/zinc/10/66/96/572106696.db2.gz RFPIOPREAVXNAL-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP C[N@H+](CCC(C)(C)[NH3+])C1CCCCC1 82772841 572106702 /nfs/dbraw/zinc/10/67/02/572106702.db2.gz DEUVQFSPWWKNIT-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)([NH3+])CC[NH2+]CC1(C)CCCC1 82773435 572106759 /nfs/dbraw/zinc/10/67/59/572106759.db2.gz JNJXKONNNGAKIN-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1C[C@H]1[NH2+]CCC1([NH3+])CCCCC1 82773347 572106765 /nfs/dbraw/zinc/10/67/65/572106765.db2.gz RFPIOPREAVXNAL-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@@H](C)[NH2+]CCC1([NH3+])CCCCC1 82773052 572106794 /nfs/dbraw/zinc/10/67/94/572106794.db2.gz YMPYBWDKHKEGPT-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC1(C)C[C@@H]1[NH2+]CCC1([NH3+])CCCC1 82773282 572106831 /nfs/dbraw/zinc/10/68/31/572106831.db2.gz YYCSBTZYXUGGNR-JTQLQIEISA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)(C)C[NH2+]CCC1([NH3+])CCCC1 82773086 572106907 /nfs/dbraw/zinc/10/69/07/572106907.db2.gz RCKHPIYFRHOYTH-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CC[N@H+](CCC(C)(C)[NH3+])C1CCCC1 82772944 572107544 /nfs/dbraw/zinc/10/75/44/572107544.db2.gz LXZPAULJZJFRRL-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CCC1([NH3+])CCCC1)C(C)C 82772879 572107174 /nfs/dbraw/zinc/10/71/74/572107174.db2.gz LWAWEWVNVSQELQ-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CCCCC[N@H+](C)CCC(C)(C)[NH3+] 82772920 572107189 /nfs/dbraw/zinc/10/71/89/572107189.db2.gz JPFPDLHTGKHJHD-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CC(C)C[NH2+]CCC1([NH3+])CCCCC1 82773059 572107237 /nfs/dbraw/zinc/10/72/37/572107237.db2.gz PSBNMIIBDSZDKX-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CCC(C)(C)[NH3+] 82772915 572107243 /nfs/dbraw/zinc/10/72/43/572107243.db2.gz VVZXSKKBXPCIEO-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1CCC(C)(C)[NH3+] 82772885 572107212 /nfs/dbraw/zinc/10/72/12/572107212.db2.gz ZBKAXEZZELRWEJ-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[N@H+](C)CCC1([NH3+])CCCCC1 82772844 572107302 /nfs/dbraw/zinc/10/73/02/572107302.db2.gz GCIAARWAWLLWDZ-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)C[N@H+](C)CCC1([NH3+])CCCC1 82772901 572107402 /nfs/dbraw/zinc/10/74/02/572107402.db2.gz HDEUKLYUEQKJBX-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]1CCC[N@H+](CCC(C)(C)[NH3+])C1 82772987 572107433 /nfs/dbraw/zinc/10/74/33/572107433.db2.gz QFFTZHYJNHHWAW-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C)CCC1([NH3+])CCCCC1 82772900 572107721 /nfs/dbraw/zinc/10/77/21/572107721.db2.gz UQQAXHFWOUWUNX-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CCC(C)(C)[NH3+] 82772924 572107949 /nfs/dbraw/zinc/10/79/49/572107949.db2.gz ICCFKVDPHNSNJC-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1CCC(C)(C)[NH3+] 82772884 572107972 /nfs/dbraw/zinc/10/79/72/572107972.db2.gz ZBKAXEZZELRWEJ-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP [NH3+]C1(CC[NH2+]C2CCC2)CCCCC1 82773335 572108109 /nfs/dbraw/zinc/10/81/09/572108109.db2.gz OXOOOFIQCWEHSW-UHFFFAOYSA-N 2 0 196.338 2.180 10 0 AEAERP CCC1CC[NH+](CCC(C)(C)[NH3+])CC1 82773113 572108112 /nfs/dbraw/zinc/10/81/12/572108112.db2.gz RSPBIIYJZYDANT-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CCC(C)(C)[NH3+] 82772971 572108129 /nfs/dbraw/zinc/10/81/29/572108129.db2.gz OJHVIYGATYRSSS-JTQLQIEISA-N 2 0 186.343 2.090 10 0 AEAERP CCC[C@H](C)[N@H+](C)CCC(C)(C)[NH3+] 82772980 572108299 /nfs/dbraw/zinc/10/82/99/572108299.db2.gz WSRXWZGWEZSEDE-JTQLQIEISA-N 2 0 186.343 2.234 10 0 AEAERP CC[N@H+](CCC(C)(C)[NH3+])CC(C)C 82772911 572108368 /nfs/dbraw/zinc/10/83/68/572108368.db2.gz CMYCHRIJGJBHKP-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@H+](CC)CCC1([NH3+])CCCC1 82772889 572108509 /nfs/dbraw/zinc/10/85/09/572108509.db2.gz BRJZWESQEWJOSZ-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP C[NH2+]C1CC[NH+]([C@@H](C)CC(C)C)CC1 37264983 572108516 /nfs/dbraw/zinc/10/85/16/572108516.db2.gz ZHUAXAKNAQPIIV-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[NH2+]CCC1([NH3+])CCCCC1 82773044 572108573 /nfs/dbraw/zinc/10/85/73/572108573.db2.gz YZHFOTQPOLOCJH-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP CC1(C)C[C@H]1[NH2+]CCC1([NH3+])CCCC1 82773283 572108585 /nfs/dbraw/zinc/10/85/85/572108585.db2.gz YYCSBTZYXUGGNR-SNVBAGLBSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@@H](C)C[NH2+]CCC1([NH3+])CCCC1 82773355 572108590 /nfs/dbraw/zinc/10/85/90/572108590.db2.gz NTAKJNGXFSFCLU-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 37209318 572108599 /nfs/dbraw/zinc/10/85/99/572108599.db2.gz UNQANEPJGBBORS-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[NH2+]CCC1([NH3+])CCCC1 82773049 572108603 /nfs/dbraw/zinc/10/86/03/572108603.db2.gz WVUVYZUZMCFJAG-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CC[C@H](C)[NH2+]CCC1([NH3+])CCCCC1 82773053 572108686 /nfs/dbraw/zinc/10/86/86/572108686.db2.gz YMPYBWDKHKEGPT-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 37209320 572109148 /nfs/dbraw/zinc/10/91/48/572109148.db2.gz UNQANEPJGBBORS-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@H+](C)CCC(C)(C)[NH3+] 82773122 572108701 /nfs/dbraw/zinc/10/87/01/572108701.db2.gz DTDZFJVLGGSUQH-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CC[N@H+](CCC1([NH3+])CCCC1)C1CC1 82772873 572108761 /nfs/dbraw/zinc/10/87/61/572108761.db2.gz HLHAUTSQWVTPDQ-UHFFFAOYSA-N 2 0 196.338 2.132 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC1([NH3+])CCCC1 82772904 572108770 /nfs/dbraw/zinc/10/87/70/572108770.db2.gz MLZQSMASGWSHTI-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[N@H+](CCC(C)(C)[NH3+])CC1CC1 82773220 572108784 /nfs/dbraw/zinc/10/87/84/572108784.db2.gz JFDPORQRNJCPIF-UHFFFAOYSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](CCC(C)(C)[NH3+])C(C)C 82772893 572108970 /nfs/dbraw/zinc/10/89/70/572108970.db2.gz CJPPYMFPURSENL-UHFFFAOYSA-N 2 0 186.343 2.234 10 0 AEAERP CCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 37209321 572109086 /nfs/dbraw/zinc/10/90/86/572109086.db2.gz UNQANEPJGBBORS-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[N@H+](CCC1([NH3+])CCCCC1)C1CC1 82772878 572109238 /nfs/dbraw/zinc/10/92/38/572109238.db2.gz KZCVZXMRCFIFGE-UHFFFAOYSA-N 2 0 196.338 2.132 10 0 AEAERP CC(C)C[N@H+](CCC(C)(C)[NH3+])C1CC1 82773210 572109256 /nfs/dbraw/zinc/10/92/56/572109256.db2.gz YELBANJJSKYGKV-UHFFFAOYSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[NH2+]CCC1([NH3+])CCCCC1 82773039 572109302 /nfs/dbraw/zinc/10/93/02/572109302.db2.gz HRUZUGHCAOETQD-UHFFFAOYSA-N 2 0 184.327 2.038 10 0 AEAERP CC(C)(C)[NH2+]CCC1([NH3+])CCCC1 82773040 572109337 /nfs/dbraw/zinc/10/93/37/572109337.db2.gz LONNWCWXARJSIM-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CCC(C)(C)[NH3+] 82772970 572109440 /nfs/dbraw/zinc/10/94/40/572109440.db2.gz OJHVIYGATYRSSS-SNVBAGLBSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@@H](C)[NH2+]CCC1([NH3+])CCCC1 82773048 572109599 /nfs/dbraw/zinc/10/95/99/572109599.db2.gz WVUVYZUZMCFJAG-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP C[C@@H]1C[C@@H]1[NH2+]CCC1([NH3+])CCCCC1 82773344 572109699 /nfs/dbraw/zinc/10/96/99/572109699.db2.gz RFPIOPREAVXNAL-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CCCC[NH2+]CCC1([NH3+])CCCCC1 82773076 572109719 /nfs/dbraw/zinc/10/97/19/572109719.db2.gz KUBAJAULXPQSGC-UHFFFAOYSA-N 2 0 198.354 2.428 10 0 AEAERP CC[C@H](C)[N@H+](CC)CCC(C)(C)[NH3+] 82772916 572109730 /nfs/dbraw/zinc/10/97/30/572109730.db2.gz VVZXSKKBXPCIEO-JTQLQIEISA-N 2 0 186.343 2.234 10 0 AEAERP C[N@H+](CCC(C)(C)[NH3+])CC1CCCC1 82773423 572109849 /nfs/dbraw/zinc/10/98/49/572109849.db2.gz MBFHJBWVYKUMFD-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@H+](C)CCC(C)(C)[NH3+] 82772975 572109874 /nfs/dbraw/zinc/10/98/74/572109874.db2.gz ZHXRQKFSVOUTJW-UHFFFAOYSA-N 2 0 186.343 2.234 10 0 AEAERP CCCC[NH2+]CCC1([NH3+])CCCC1 82773074 572109887 /nfs/dbraw/zinc/10/98/87/572109887.db2.gz QAPVABFYARCLQA-UHFFFAOYSA-N 2 0 184.327 2.038 10 0 AEAERP C[C@@H]1C[C@H]1[NH2+]CCC1([NH3+])CCCCC1 82773346 572109899 /nfs/dbraw/zinc/10/98/99/572109899.db2.gz RFPIOPREAVXNAL-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CCC(C)(C)[NH3+] 82772979 572109939 /nfs/dbraw/zinc/10/99/39/572109939.db2.gz WSRXWZGWEZSEDE-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CCCC[N@H+](CCC(C)(C)[NH3+])C1CC1 82773149 572109983 /nfs/dbraw/zinc/10/99/83/572109983.db2.gz SKTQRYOLYOIHIA-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 37209319 572109984 /nfs/dbraw/zinc/10/99/84/572109984.db2.gz UNQANEPJGBBORS-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP [NH3+]C1(CC[NH2+]CC2CC2)CCCCC1 82773071 572109994 /nfs/dbraw/zinc/10/99/94/572109994.db2.gz OUUUIXADUOEWAH-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP CC(C)(C)[NH2+]CCC1([NH3+])CCCCC1 82773041 572110005 /nfs/dbraw/zinc/11/00/05/572110005.db2.gz VTVYYTGHJCJJEV-UHFFFAOYSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@H](C)C[N@H+](C)CCC(C)(C)[NH3+] 82772925 572110059 /nfs/dbraw/zinc/11/00/59/572110059.db2.gz ICCFKVDPHNSNJC-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)([NH3+])CC[NH2+]C1(C)CCCCC1 82773276 572110077 /nfs/dbraw/zinc/11/00/77/572110077.db2.gz AQMCWOKDLWLCEJ-UHFFFAOYSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@H]1CCC[N@H+](CCC(C)(C)[NH3+])C1 82772988 572110084 /nfs/dbraw/zinc/11/00/84/572110084.db2.gz QFFTZHYJNHHWAW-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)CCC(C)(C)[NH3+] 82777051 572110220 /nfs/dbraw/zinc/11/02/20/572110220.db2.gz AKLKRDMYVLZXLX-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[N@H+](C)CCC1([NH3+])CCCC1 82777055 572110309 /nfs/dbraw/zinc/11/03/09/572110309.db2.gz PDXVZKDJOKRQBT-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@H](C)[NH2+]CC[NH2+]C1(C)CCCC1 82785777 572110495 /nfs/dbraw/zinc/11/04/95/572110495.db2.gz MBDGTTQYCWCZBR-NSHDSACASA-N 2 0 198.354 2.297 10 0 AEAERP CC[C@H](C)[C@@H]([NH3+])C[NH2+]C1(C)CCCC1 82785853 572110513 /nfs/dbraw/zinc/11/05/13/572110513.db2.gz FKQKMYHPCYKJRC-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@H](C)C[NH2+][C@@H](C)CC[NH3+] 300940292 572110527 /nfs/dbraw/zinc/11/05/27/572110527.db2.gz NRMJIQHFBDTQSH-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@](C)([NH3+])C[NH2+]C1(C)CCCC1 82785839 572110534 /nfs/dbraw/zinc/11/05/34/572110534.db2.gz VEWLZZMXIZBMLB-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@H](C)[C@H]([NH3+])C[NH2+]C1(C)CCCC1 82785851 572110702 /nfs/dbraw/zinc/11/07/02/572110702.db2.gz FKQKMYHPCYKJRC-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+][C@H](C)CC[NH2+]C1(C)CCCC1 82785827 572110727 /nfs/dbraw/zinc/11/07/27/572110727.db2.gz BWIRCBFNBNCZDT-LLVKDONJSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@H]([NH3+])C[NH2+]C1(C)CCCC1 82785898 572110735 /nfs/dbraw/zinc/11/07/35/572110735.db2.gz SZRNHMYYHYLEKB-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CC1([NH2+]CCCCC[NH3+])CCCC1 82785892 572110801 /nfs/dbraw/zinc/11/08/01/572110801.db2.gz TWJPODDAYPILKO-UHFFFAOYSA-N 2 0 184.327 2.038 10 0 AEAERP CC1([NH2+]CCCCCC[NH3+])CCCC1 82785795 572111117 /nfs/dbraw/zinc/11/11/17/572111117.db2.gz LNXSWFAWRIHVTO-UHFFFAOYSA-N 2 0 198.354 2.428 10 0 AEAERP CC1([NH2+]C[C@@](C)([NH3+])C2CC2)CCCC1 82785855 572110867 /nfs/dbraw/zinc/11/08/67/572110867.db2.gz GGDGVCWLUDOLIA-GFCCVEGCSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@H]([NH3+])C[NH2+]C1(C)CCCC1 82785836 572111125 /nfs/dbraw/zinc/11/11/25/572111125.db2.gz ZPZGDSRDYYWVGK-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CC1([NH2+]CC[C@@H]2CCC[NH2+]2)CCCC1 82785804 572111045 /nfs/dbraw/zinc/11/10/45/572111045.db2.gz HTXZLWVYRCMMJI-NSHDSACASA-N 2 0 196.338 2.051 10 0 AEAERP CCCC[C@@H](C)C[NH2+][C@@H](C)CC[NH3+] 300940291 572111372 /nfs/dbraw/zinc/11/13/72/572111372.db2.gz NRMJIQHFBDTQSH-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@](C)([NH3+])C[NH2+]C1(C)CCCC1 82785838 572111446 /nfs/dbraw/zinc/11/14/46/572111446.db2.gz VEWLZZMXIZBMLB-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH2+]C1(C)CCCC1 82785826 572111461 /nfs/dbraw/zinc/11/14/61/572111461.db2.gz BWIRCBFNBNCZDT-NSHDSACASA-N 2 0 198.354 2.297 10 0 AEAERP CC[C@@H](C)[NH2+]CC[NH2+]C1(C)CCCC1 82785776 572111958 /nfs/dbraw/zinc/11/19/58/572111958.db2.gz MBDGTTQYCWCZBR-LLVKDONJSA-N 2 0 198.354 2.297 10 0 AEAERP CC1([NH2+]CCC[NH2+]C2CC2)CCCC1 82785897 572112014 /nfs/dbraw/zinc/11/20/14/572112014.db2.gz CJSXLPGPDOIHCW-UHFFFAOYSA-N 2 0 196.338 2.051 10 0 AEAERP CCC[C@@H]([NH3+])C[NH2+]C1(C)CCCC1 82785837 572112021 /nfs/dbraw/zinc/11/20/21/572112021.db2.gz ZPZGDSRDYYWVGK-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP CC(C)([NH3+])CC[NH2+]C1(C)CCCC1 82785911 572112114 /nfs/dbraw/zinc/11/21/14/572112114.db2.gz WLFGLJKEQBKQOF-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP CC(C)([NH3+])CCC[NH2+]C1(C)CCCC1 82785810 572112194 /nfs/dbraw/zinc/11/21/94/572112194.db2.gz ZJMCMXPUHKUTFN-UHFFFAOYSA-N 2 0 198.354 2.426 10 0 AEAERP CC1([NH2+]C[C@](C)([NH3+])C2CC2)CCCC1 82785854 572112275 /nfs/dbraw/zinc/11/22/75/572112275.db2.gz GGDGVCWLUDOLIA-LBPRGKRZSA-N 2 0 196.338 2.036 10 0 AEAERP CCCC[C@@H](C)C[NH2+][C@H](C)CC[NH3+] 300940290 572112337 /nfs/dbraw/zinc/11/23/37/572112337.db2.gz NRMJIQHFBDTQSH-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H](C)[C@H]([NH3+])C[NH2+]C1(C)CCCC1 82785850 572112355 /nfs/dbraw/zinc/11/23/55/572112355.db2.gz FKQKMYHPCYKJRC-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+]C[C@H](C)C[NH2+]C1(C)CCCC1 82785886 572112371 /nfs/dbraw/zinc/11/23/71/572112371.db2.gz WYLJJSREJNPKRX-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCC[NH2+][C@@H](C)C[C@@H](C)[NH+]1CCCC1 82800809 572115641 /nfs/dbraw/zinc/11/56/41/572115641.db2.gz NFCAXYBFQWQQMN-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCCCC[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801312 572115685 /nfs/dbraw/zinc/11/56/85/572115685.db2.gz XCCAFDZSNMMYSO-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)[NH2+]C 82801588 572115705 /nfs/dbraw/zinc/11/57/05/572115705.db2.gz DODXKPPMZLPCAA-GRYCIOLGSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@@H](C)C[C@@H](C)[NH+]1CCCCC1 82800975 572115744 /nfs/dbraw/zinc/11/57/44/572115744.db2.gz LQZVUPWUBVHKOJ-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)[NH+]1CCCCCC1 82800957 572115784 /nfs/dbraw/zinc/11/57/84/572115784.db2.gz JNVUDURDMXCJMB-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCCC[C@H]1C 82800879 572115808 /nfs/dbraw/zinc/11/58/08/572115808.db2.gz TXPBSBPWBCDORB-UTUOFQBUSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[N@H+](C)C1CCCCC1 82801011 572115874 /nfs/dbraw/zinc/11/58/74/572115874.db2.gz JQHHBKNQIGHTEA-MNOVXSKESA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)C[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801954 572115895 /nfs/dbraw/zinc/11/58/95/572115895.db2.gz RSJDNUGVTZJHQT-MNOVXSKESA-N 2 0 198.354 2.233 10 0 AEAERP CCC1CC[NH+]([C@H](C)C[C@@H](C)[NH3+])CC1 82801669 572115906 /nfs/dbraw/zinc/11/59/06/572115906.db2.gz QXPUAVCCPBXNCG-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@@H](C)C[C@@H](C)[NH+]1CCC(C)CC1 82800808 572116009 /nfs/dbraw/zinc/11/60/09/572116009.db2.gz NLBDDVRUIPOVAJ-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H](C)C[C@H](C)[N@@H+]1CC[C@H](C)C1 82801621 572116023 /nfs/dbraw/zinc/11/60/23/572116023.db2.gz UDGXEWQAVZKDQW-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H](C)C[C@@H](C)[NH+]1CCCCCC1 82800956 572116061 /nfs/dbraw/zinc/11/60/61/572116061.db2.gz JNVUDURDMXCJMB-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@@H](C)C[C@H](C)[NH+]1CCCCCC1 82800958 572116079 /nfs/dbraw/zinc/11/60/79/572116079.db2.gz JNVUDURDMXCJMB-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801471 572116234 /nfs/dbraw/zinc/11/62/34/572116234.db2.gz LOVKGRSWWQPNGE-OUAUKWLOSA-N 2 0 186.343 2.089 10 0 AEAERP CC[NH2+][C@H](C)C[C@H](C)[N@H+](C)CC1CC1 82801597 572116269 /nfs/dbraw/zinc/11/62/69/572116269.db2.gz CUDQCMCORPWRCY-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@H+](CC)[C@H](C)C[C@@H](C)[NH3+] 82801067 572116326 /nfs/dbraw/zinc/11/63/26/572116326.db2.gz LVMUQJVJXTZJFB-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[NH2+][C@H](C)C[C@H](C)[N@H+](C)CC 82801145 572116368 /nfs/dbraw/zinc/11/63/68/572116368.db2.gz XXASESUJGUXVET-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@H](C)C[C@H](C)[NH+]1CCCCC1 82800978 572116621 /nfs/dbraw/zinc/11/66/21/572116621.db2.gz LQZVUPWUBVHKOJ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)C[C@H](C)[N@H+](CC)C1CC1 82801160 572116389 /nfs/dbraw/zinc/11/63/89/572116389.db2.gz WCRKZOWTQSNDQK-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801472 572116400 /nfs/dbraw/zinc/11/64/00/572116400.db2.gz LOVKGRSWWQPNGE-VWYCJHECSA-N 2 0 186.343 2.089 10 0 AEAERP CC[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)CC1CC1 82801594 572116417 /nfs/dbraw/zinc/11/64/17/572116417.db2.gz CUDQCMCORPWRCY-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801331 572116628 /nfs/dbraw/zinc/11/66/28/572116628.db2.gz AWJQUPMRCODEHS-AXFHLTTASA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@H]1CCC[N@@H+]([C@@H](C)C[C@@H](C)[NH3+])C1 82801484 572116444 /nfs/dbraw/zinc/11/64/44/572116444.db2.gz PBDQOMHLVRCPJT-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCC[C@H](C)C1 82800943 572116460 /nfs/dbraw/zinc/11/64/60/572116460.db2.gz CBIUNIOBGFQRAX-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H](C)C[C@@H](C)[NH+]1CCCCC1 82800976 572116577 /nfs/dbraw/zinc/11/65/77/572116577.db2.gz LQZVUPWUBVHKOJ-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](CC)[C@@H](C)C[C@@H](C)[NH2+]C 82801232 572116591 /nfs/dbraw/zinc/11/65/91/572116591.db2.gz ZHTXGYJIDZYHPJ-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CCC1CC[NH+]([C@@H](C)C[C@H](C)[NH3+])CC1 82801670 572116651 /nfs/dbraw/zinc/11/66/51/572116651.db2.gz QXPUAVCCPBXNCG-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCC[N@@H+]([C@@H](C)C[C@@H](C)[NH3+])C1 82801483 572116659 /nfs/dbraw/zinc/11/66/59/572116659.db2.gz PBDQOMHLVRCPJT-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[NH+](CCC)[C@@H](C)C[C@@H](C)[NH3+] 82800996 572116686 /nfs/dbraw/zinc/11/66/86/572116686.db2.gz WBWGLBQCGQQZNB-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CCC[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)CC 82801142 572116821 /nfs/dbraw/zinc/11/68/21/572116821.db2.gz XXASESUJGUXVET-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@H](C)C[C@@H](C)[N@H+](C)C1CC1 82801167 572116831 /nfs/dbraw/zinc/11/68/31/572116831.db2.gz CSSLWMIOYXFTGQ-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@@H](C)C[C@H](C)[NH+](CC)CC 82800847 572116765 /nfs/dbraw/zinc/11/67/65/572116765.db2.gz FBEOGMLVQLDLHE-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82801305 572116844 /nfs/dbraw/zinc/11/68/44/572116844.db2.gz BWXUGYNNQZBXFB-VWYCJHECSA-N 2 0 186.343 2.233 10 0 AEAERP CC[C@@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801284 572116932 /nfs/dbraw/zinc/11/69/32/572116932.db2.gz GSDOUIDSMSGKLZ-MXWKQRLJSA-N 2 0 186.343 2.103 10 0 AEAERP CC[NH2+][C@H](C)C[C@@H](C)[N@H+](C)CC1CC1 82801595 572116957 /nfs/dbraw/zinc/11/69/57/572116957.db2.gz CUDQCMCORPWRCY-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+](C1CC1)[C@H](C)C[C@@H](C)[NH2+]C 82801253 572116992 /nfs/dbraw/zinc/11/69/92/572116992.db2.gz SQICEXITBVDZJS-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 82801459 572117101 /nfs/dbraw/zinc/11/71/01/572117101.db2.gz PQZQYGMVTQPMTR-AXFHLTTASA-N 2 0 198.354 2.103 10 0 AEAERP CC[NH2+][C@H](C)C[C@@H](C)[N@@H+]1CC[C@H](C)C1 82801619 572117150 /nfs/dbraw/zinc/11/71/50/572117150.db2.gz UDGXEWQAVZKDQW-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[N@H+](C)C1CCCCC1 82801008 572117204 /nfs/dbraw/zinc/11/72/04/572117204.db2.gz JQHHBKNQIGHTEA-WDEREUQCSA-N 2 0 198.354 2.377 10 0 AEAERP CC[N@@H+](C1CCCC1)[C@H](C)C[C@@H](C)[NH3+] 82801374 572117238 /nfs/dbraw/zinc/11/72/38/572117238.db2.gz IZHVQORITZSXCE-GHMZBOCLSA-N 2 0 198.354 2.377 10 0 AEAERP C[NH2+][C@@H](C)C[C@H](C)[NH+]1CCC(C)CC1 82800807 572117252 /nfs/dbraw/zinc/11/72/52/572117252.db2.gz NLBDDVRUIPOVAJ-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801479 572117276 /nfs/dbraw/zinc/11/72/76/572117276.db2.gz JSDLFSMZJPALCP-VWYCJHECSA-N 2 0 186.343 2.233 10 0 AEAERP C[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)C1CCCC1 82801220 572117302 /nfs/dbraw/zinc/11/73/02/572117302.db2.gz KRJPQFUGXYJUAS-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH2+]C 82801252 572117318 /nfs/dbraw/zinc/11/73/18/572117318.db2.gz SQICEXITBVDZJS-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CCCC[N@H+](C)[C@H](C)C[C@@H](C)[NH2+]C 82801059 572117345 /nfs/dbraw/zinc/11/73/45/572117345.db2.gz XGVPBKGJEHGURO-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801285 572117360 /nfs/dbraw/zinc/11/73/60/572117360.db2.gz GSDOUIDSMSGKLZ-VWYCJHECSA-N 2 0 186.343 2.103 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)C1CCCC1 82801223 572117379 /nfs/dbraw/zinc/11/73/79/572117379.db2.gz KRJPQFUGXYJUAS-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CCCC[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801828 572117444 /nfs/dbraw/zinc/11/74/44/572117444.db2.gz IKCSRCPVNYUZAD-MNOVXSKESA-N 2 0 198.354 2.377 10 0 AEAERP CC[NH2+][C@@H](C)C[C@H](C)[NH+]1CCCCC1 82800977 572117475 /nfs/dbraw/zinc/11/74/75/572117475.db2.gz LQZVUPWUBVHKOJ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[NH+]1CCCCCC1 82800959 572117489 /nfs/dbraw/zinc/11/74/89/572117489.db2.gz JNVUDURDMXCJMB-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H](C)C[C@H](C)[N@H+](C)C1CC1 82801169 572117495 /nfs/dbraw/zinc/11/74/95/572117495.db2.gz CSSLWMIOYXFTGQ-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CCCCC[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801313 572117504 /nfs/dbraw/zinc/11/75/04/572117504.db2.gz XCCAFDZSNMMYSO-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801330 572117520 /nfs/dbraw/zinc/11/75/20/572117520.db2.gz AWJQUPMRCODEHS-MXWKQRLJSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801200 572117555 /nfs/dbraw/zinc/11/75/55/572117555.db2.gz JHZRPJHCDQHLCJ-GRYCIOLGSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[N@H+](CC)[C@H](C)C[C@@H](C)[NH2+]C 82801233 572117579 /nfs/dbraw/zinc/11/75/79/572117579.db2.gz ZHTXGYJIDZYHPJ-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH+](CCC)[C@H](C)C[C@H](C)[NH3+] 82800999 572117609 /nfs/dbraw/zinc/11/76/09/572117609.db2.gz WBWGLBQCGQQZNB-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)CC[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801707 572117672 /nfs/dbraw/zinc/11/76/72/572117672.db2.gz YQMRTRBDTWROOE-GHMZBOCLSA-N 2 0 186.343 2.090 10 0 AEAERP CC[NH2+][C@H](C)C[C@@H](C)[N@H+](CC)C1CC1 82801159 572117743 /nfs/dbraw/zinc/11/77/43/572117743.db2.gz WCRKZOWTQSNDQK-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@@H+](C1CCCC1)[C@@H](C)C[C@@H](C)[NH3+] 82801373 572117775 /nfs/dbraw/zinc/11/77/75/572117775.db2.gz IZHVQORITZSXCE-MNOVXSKESA-N 2 0 198.354 2.377 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)[N@H+](C)C1CCCC1 82801221 572117863 /nfs/dbraw/zinc/11/78/63/572117863.db2.gz KRJPQFUGXYJUAS-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@H+](CC(C)C)[C@@H](C)C[C@@H](C)[NH3+] 82801294 572117892 /nfs/dbraw/zinc/11/78/92/572117892.db2.gz MIGKOFORFBYUTD-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP CCC1CC[NH+]([C@H](C)C[C@H](C)[NH3+])CC1 82801671 572117918 /nfs/dbraw/zinc/11/79/18/572117918.db2.gz QXPUAVCCPBXNCG-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H](C)C[C@@H](C)[NH3+] 82801240 572117938 /nfs/dbraw/zinc/11/79/38/572117938.db2.gz BCRCKBGPRQRKJZ-MNOVXSKESA-N 2 0 186.343 2.233 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 82801460 572117971 /nfs/dbraw/zinc/11/79/71/572117971.db2.gz PQZQYGMVTQPMTR-MXWKQRLJSA-N 2 0 198.354 2.103 10 0 AEAERP CCC1CC[NH+]([C@@H](C)C[C@@H](C)[NH3+])CC1 82801668 572117988 /nfs/dbraw/zinc/11/79/88/572117988.db2.gz QXPUAVCCPBXNCG-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82801304 572118039 /nfs/dbraw/zinc/11/80/39/572118039.db2.gz BWXUGYNNQZBXFB-MXWKQRLJSA-N 2 0 186.343 2.233 10 0 AEAERP CCC[NH2+][C@H](C)C[C@@H](C)[N@H+](C)CC 82801143 572118069 /nfs/dbraw/zinc/11/80/69/572118069.db2.gz XXASESUJGUXVET-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801201 572118085 /nfs/dbraw/zinc/11/80/85/572118085.db2.gz JHZRPJHCDQHLCJ-WOPDTQHZSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)[NH2+]C 82801589 572118172 /nfs/dbraw/zinc/11/81/72/572118172.db2.gz DODXKPPMZLPCAA-WOPDTQHZSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@@H](C)C[C@H](C)[N@H+](C)CC1CC1 82801596 572118217 /nfs/dbraw/zinc/11/82/17/572118217.db2.gz CUDQCMCORPWRCY-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](C)[C@@H](C)C[C@@H](C)[NH2+]CC 82801258 572118263 /nfs/dbraw/zinc/11/82/63/572118263.db2.gz PZCJGZKYMFWUCU-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@@H](C)C[C@H](C)[N@H+](C)CC 82801144 572118237 /nfs/dbraw/zinc/11/82/37/572118237.db2.gz XXASESUJGUXVET-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCCC[C@@H]1C 82800880 572118323 /nfs/dbraw/zinc/11/83/23/572118323.db2.gz TXPBSBPWBCDORB-WOPDTQHZSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[NH2+]CCC[NH+]1CCCCCC1 37395162 572118332 /nfs/dbraw/zinc/11/83/32/572118332.db2.gz KLKQGJITMGRUHX-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CCCC[N@@H+](C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801829 572118353 /nfs/dbraw/zinc/11/83/53/572118353.db2.gz IKCSRCPVNYUZAD-GHMZBOCLSA-N 2 0 198.354 2.377 10 0 AEAERP CC[NH2+][C@@H](C)C[C@@H](C)[NH+](CC)CC 82800845 572118366 /nfs/dbraw/zinc/11/83/66/572118366.db2.gz FBEOGMLVQLDLHE-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[N@H+](CC1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801803 572118419 /nfs/dbraw/zinc/11/84/19/572118419.db2.gz RCKMRPWTXYOKSR-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+][C@@H](C)C[C@@H](C)[N@H+](CC)C1CC1 82801158 572118429 /nfs/dbraw/zinc/11/84/29/572118429.db2.gz WCRKZOWTQSNDQK-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCCC[N@H+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82801066 572118436 /nfs/dbraw/zinc/11/84/36/572118436.db2.gz LVMUQJVJXTZJFB-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CCC[NH2+][C@H](C)C[C@@H](C)[NH+]1CCCC1 82800810 572118450 /nfs/dbraw/zinc/11/84/50/572118450.db2.gz NFCAXYBFQWQQMN-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H](C)C[C@H](C)[NH+]1CCCC1 82800812 572118483 /nfs/dbraw/zinc/11/84/83/572118483.db2.gz NFCAXYBFQWQQMN-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 82800942 572118505 /nfs/dbraw/zinc/11/85/05/572118505.db2.gz CBIUNIOBGFQRAX-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)C[C@@H](C)[NH3+])C1 82800765 572118515 /nfs/dbraw/zinc/11/85/15/572118515.db2.gz FCLMWXDRKOSLLH-KXNHARMFSA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH2+][C@H](C)C[C@H](C)[NH+](CC)CC 82800848 572118523 /nfs/dbraw/zinc/11/85/23/572118523.db2.gz FBEOGMLVQLDLHE-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[N@H+](C)C1CCCCC1 82801009 572118545 /nfs/dbraw/zinc/11/85/45/572118545.db2.gz JQHHBKNQIGHTEA-GHMZBOCLSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)C1CC1 82801166 572118553 /nfs/dbraw/zinc/11/85/53/572118553.db2.gz CSSLWMIOYXFTGQ-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[N@H+](C)C1CCCCC1 82801010 572118567 /nfs/dbraw/zinc/11/85/67/572118567.db2.gz JQHHBKNQIGHTEA-QWRGUYRKSA-N 2 0 198.354 2.377 10 0 AEAERP CC[NH2+][C@H](C)C[C@@H](C)[NH+](CC)CC 82800846 572118619 /nfs/dbraw/zinc/11/86/19/572118619.db2.gz FBEOGMLVQLDLHE-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)[C@@H](C)C1CC1 82801462 572118626 /nfs/dbraw/zinc/11/86/26/572118626.db2.gz PQZQYGMVTQPMTR-VWYCJHECSA-N 2 0 198.354 2.103 10 0 AEAERP CC[N@H+](CC(C)C)[C@H](C)C[C@@H](C)[NH3+] 82801295 572118666 /nfs/dbraw/zinc/11/86/66/572118666.db2.gz MIGKOFORFBYUTD-GHMZBOCLSA-N 2 0 186.343 2.090 10 0 AEAERP C[NH2+][C@@H](C)C[C@H](C)[N@H+](C)C1CCCC1 82801222 572118680 /nfs/dbraw/zinc/11/86/80/572118680.db2.gz KRJPQFUGXYJUAS-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@H+](C(C)C)[C@H](C)C[C@@H](C)[NH2+]C 82801193 572118718 /nfs/dbraw/zinc/11/87/18/572118718.db2.gz OXOJJKBMDGWYTJ-GHMZBOCLSA-N 2 0 186.343 2.103 10 0 AEAERP CCCC[N@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801058 572118750 /nfs/dbraw/zinc/11/87/50/572118750.db2.gz XGVPBKGJEHGURO-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)[NH+]1CCC(C)CC1 82800806 572118843 /nfs/dbraw/zinc/11/88/43/572118843.db2.gz NLBDDVRUIPOVAJ-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H](C)C[C@H](C)[N@H+](CC)C1CC1 82801161 572118903 /nfs/dbraw/zinc/11/89/03/572118903.db2.gz WCRKZOWTQSNDQK-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@@H](C)C[C@H](C)[N@H+](C)C1CC1 82801168 572118918 /nfs/dbraw/zinc/11/89/18/572118918.db2.gz CSSLWMIOYXFTGQ-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[N@H+](C(C)C)[C@H](C)C[C@@H](C)[NH3+] 82801241 572118932 /nfs/dbraw/zinc/11/89/32/572118932.db2.gz BCRCKBGPRQRKJZ-GHMZBOCLSA-N 2 0 186.343 2.233 10 0 AEAERP C[NH2+][C@@H](C)C[C@H](C)[N@H+](C)[C@@H](C)C1CC1 82801461 572118973 /nfs/dbraw/zinc/11/89/73/572118973.db2.gz PQZQYGMVTQPMTR-DCAQKATOSA-N 2 0 198.354 2.103 10 0 AEAERP CCC[N@H+](C)[C@H](C)C[C@@H](C)[NH2+]CC 82801259 572118990 /nfs/dbraw/zinc/11/89/90/572118990.db2.gz PZCJGZKYMFWUCU-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC(C)CC[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801706 572118998 /nfs/dbraw/zinc/11/89/98/572118998.db2.gz YQMRTRBDTWROOE-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP CC[N@H+](C(C)C)[C@@H](C)C[C@@H](C)[NH2+]C 82801192 572119031 /nfs/dbraw/zinc/11/90/31/572119031.db2.gz OXOJJKBMDGWYTJ-MNOVXSKESA-N 2 0 186.343 2.103 10 0 AEAERP CCC[NH+](CCC)[C@@H](C)C[C@H](C)[NH3+] 82800998 572119121 /nfs/dbraw/zinc/11/91/21/572119121.db2.gz WBWGLBQCGQQZNB-QWRGUYRKSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801802 572119153 /nfs/dbraw/zinc/11/91/53/572119153.db2.gz RCKMRPWTXYOKSR-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCC[NH2+][C@@H](C)C[C@H](C)[NH+]1CCCC1 82800811 572119191 /nfs/dbraw/zinc/11/91/91/572119191.db2.gz NFCAXYBFQWQQMN-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@@H](C)C[C@H](C)[N@@H+]1CCCC1(C)C 82802372 572119449 /nfs/dbraw/zinc/11/94/49/572119449.db2.gz AQWBNIPVUBWIJI-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@H+](CC1CC1)[C@H](C)C[C@@H](C)[NH2+]C 82802507 572119499 /nfs/dbraw/zinc/11/94/99/572119499.db2.gz HXZPANMCTIEPPH-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)[NH2+]C 82802506 572119724 /nfs/dbraw/zinc/11/97/24/572119724.db2.gz HXZPANMCTIEPPH-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802696 572119795 /nfs/dbraw/zinc/11/97/95/572119795.db2.gz GRQBMJPEZTUCRA-ZJUUUORDSA-N 2 0 186.343 2.233 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82802515 572119958 /nfs/dbraw/zinc/11/99/58/572119958.db2.gz XKMHPDKAAVQEFN-NXEZZACHSA-N 2 0 186.343 2.233 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[N@H+](C)CC(C)(C)C 82802157 572120044 /nfs/dbraw/zinc/12/00/44/572120044.db2.gz DJPABIPDZHKOBN-VHSXEESVSA-N 2 0 186.343 2.090 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[N@H+](C)CC(C)(C)C 82802159 572120119 /nfs/dbraw/zinc/12/01/19/572120119.db2.gz DJPABIPDZHKOBN-UWVGGRQHSA-N 2 0 186.343 2.090 10 0 AEAERP C[C@H]1CCCCC[N@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82803374 572120135 /nfs/dbraw/zinc/12/01/35/572120135.db2.gz VQAQFOQVMGMQLR-WOPDTQHZSA-N 2 0 198.354 2.377 10 0 AEAERP CC[NH2+][C@@H](C)C[C@H](C)[N@H+](C)C(C)C 82802688 572120144 /nfs/dbraw/zinc/12/01/44/572120144.db2.gz NXEPEZFRDDHCOM-QWRGUYRKSA-N 2 0 186.343 2.103 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[N@H+](C)CC1CCCC1 82802421 572120156 /nfs/dbraw/zinc/12/01/56/572120156.db2.gz ZJYHOVFKTGTWSJ-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@@H](C)C[C@@H](C)[N@@H+]1CCCC1(C)C 82802370 572120199 /nfs/dbraw/zinc/12/01/99/572120199.db2.gz AQWBNIPVUBWIJI-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H](C)C[C@@H](C)[N@@H+]1CCC[C@@H]1C 82802711 572120217 /nfs/dbraw/zinc/12/02/17/572120217.db2.gz RABRCEFJYOTDPH-GRYCIOLGSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[N@H+](C)CC1CCCC1 82802420 572120291 /nfs/dbraw/zinc/12/02/91/572120291.db2.gz ZJYHOVFKTGTWSJ-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[N@H+](C)CC(C)(C)C 82802158 572120313 /nfs/dbraw/zinc/12/03/13/572120313.db2.gz DJPABIPDZHKOBN-NXEZZACHSA-N 2 0 186.343 2.090 10 0 AEAERP CC[NH2+][C@@H](C)C[C@H](C)[N@@H+]1CCC[C@@H]1C 82802712 572120367 /nfs/dbraw/zinc/12/03/67/572120367.db2.gz RABRCEFJYOTDPH-SRVKXCTJSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)C[N@@H+](C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82802734 572120399 /nfs/dbraw/zinc/12/03/99/572120399.db2.gz RSJDNUGVTZJHQT-GHMZBOCLSA-N 2 0 198.354 2.233 10 0 AEAERP CC[NH2+][C@H](C)C[C@@H](C)[N@H+](C)C(C)C 82802687 572120849 /nfs/dbraw/zinc/12/08/49/572120849.db2.gz NXEPEZFRDDHCOM-GHMZBOCLSA-N 2 0 186.343 2.103 10 0 AEAERP CC[NH2+][C@@H](C)C[C@@H](C)[N@@H+]1CCC[C@@H]1C 82802710 572120666 /nfs/dbraw/zinc/12/06/66/572120666.db2.gz RABRCEFJYOTDPH-SDDRHHMPSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@@H](C)C[C@H](C)[N@H+](C)CC1CCC1 82802240 572121538 /nfs/dbraw/zinc/12/15/38/572121538.db2.gz JDUCJDXFSUOTOF-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCC[C@@H]1C 82802713 572120917 /nfs/dbraw/zinc/12/09/17/572120917.db2.gz RABRCEFJYOTDPH-WOPDTQHZSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)C(C)C 82802686 572121005 /nfs/dbraw/zinc/12/10/05/572121005.db2.gz NXEPEZFRDDHCOM-WDEREUQCSA-N 2 0 186.343 2.103 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)[N@H+](C)CC1CCC1 82802239 572121180 /nfs/dbraw/zinc/12/11/80/572121180.db2.gz JDUCJDXFSUOTOF-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)[N@@H+]1CCCC1(C)C 82802371 572121336 /nfs/dbraw/zinc/12/13/36/572121336.db2.gz AQWBNIPVUBWIJI-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H](C)C[C@H](C)[N@H+](C)C(C)C 82802689 572121347 /nfs/dbraw/zinc/12/13/47/572121347.db2.gz NXEPEZFRDDHCOM-MNOVXSKESA-N 2 0 186.343 2.103 10 0 AEAERP C[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)CC1CCC1 82802238 572121423 /nfs/dbraw/zinc/12/14/23/572121423.db2.gz JDUCJDXFSUOTOF-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[NH+]1CCC(C)CC1 82802682 572121440 /nfs/dbraw/zinc/12/14/40/572121440.db2.gz NLBDDVRUIPOVAJ-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[N@H+](C)CC1CCCC1 82802422 572121514 /nfs/dbraw/zinc/12/15/14/572121514.db2.gz ZJYHOVFKTGTWSJ-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[N@H+](C)CC1CCCC1 82802423 572121569 /nfs/dbraw/zinc/12/15/69/572121569.db2.gz ZJYHOVFKTGTWSJ-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)CC1CCC1 82802241 572121637 /nfs/dbraw/zinc/12/16/37/572121637.db2.gz JDUCJDXFSUOTOF-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[N@H+](C)CC(C)(C)C 82802160 572121706 /nfs/dbraw/zinc/12/17/06/572121706.db2.gz DJPABIPDZHKOBN-ZJUUUORDSA-N 2 0 186.343 2.090 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802514 572121814 /nfs/dbraw/zinc/12/18/14/572121814.db2.gz XKMHPDKAAVQEFN-ZJUUUORDSA-N 2 0 186.343 2.233 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCCC1(C)C 82802373 572121992 /nfs/dbraw/zinc/12/19/92/572121992.db2.gz AQWBNIPVUBWIJI-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CCC(CC)[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82802697 572122024 /nfs/dbraw/zinc/12/20/24/572122024.db2.gz GRQBMJPEZTUCRA-NXEZZACHSA-N 2 0 186.343 2.233 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 300332686 572122028 /nfs/dbraw/zinc/12/20/28/572122028.db2.gz CXBCYCMKAXZMKU-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](CC)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 300332719 572122199 /nfs/dbraw/zinc/12/21/99/572122199.db2.gz HXIBEDJKKSBMGV-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H](CC)[N@@H+]1CCC[C@H](C[NH3+])C1 300332694 572122327 /nfs/dbraw/zinc/12/23/27/572122327.db2.gz DXBVSJAAJMVCRH-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](CC)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 300332721 572122293 /nfs/dbraw/zinc/12/22/93/572122293.db2.gz HXIBEDJKKSBMGV-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](CC)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 300332720 572122452 /nfs/dbraw/zinc/12/24/52/572122452.db2.gz HXIBEDJKKSBMGV-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 300332687 572122888 /nfs/dbraw/zinc/12/28/88/572122888.db2.gz CXBCYCMKAXZMKU-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](C1CC1)[N@H+](C)CCCC(C)(C)[NH3+] 69634525 572125576 /nfs/dbraw/zinc/12/55/76/572125576.db2.gz YKXRHZORQYAOEH-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 300332685 572123846 /nfs/dbraw/zinc/12/38/46/572123846.db2.gz CXBCYCMKAXZMKU-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CCC[C@H](C[NH3+])C1 300332693 572124128 /nfs/dbraw/zinc/12/41/28/572124128.db2.gz DXBVSJAAJMVCRH-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 300343423 572124845 /nfs/dbraw/zinc/12/48/45/572124845.db2.gz APOPIXUWOHPGDT-QJPTWQEYSA-N 2 0 198.354 2.425 10 0 AEAERP CCC[C@@H](C)[N@H+](CC)C[C@H](C)C(N)=[NH2+] 300344950 572124681 /nfs/dbraw/zinc/12/46/81/572124681.db2.gz DYBXMNDTYKWMOH-VHSXEESVSA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H](C)[N@H+](C)CCCC(C)(C)[NH3+] 69634464 572124730 /nfs/dbraw/zinc/12/47/30/572124730.db2.gz CAGYVNQBOBBRGY-JTQLQIEISA-N 2 0 186.343 2.234 10 0 AEAERP CCC[C@H](C)[NH2+][C@H]1CCCCC[C@H]1[NH3+] 300343426 572124835 /nfs/dbraw/zinc/12/48/35/572124835.db2.gz APOPIXUWOHPGDT-TUAOUCFPSA-N 2 0 198.354 2.425 10 0 AEAERP C[C@H]1CCCC[N@@H+]1CCCC(C)(C)[NH3+] 69634377 572124928 /nfs/dbraw/zinc/12/49/28/572124928.db2.gz WFVLPHMXZJLILT-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H](C)[N@H+](CC)C[C@H](C)C(N)=[NH2+] 300344948 572125254 /nfs/dbraw/zinc/12/52/54/572125254.db2.gz DYBXMNDTYKWMOH-UWVGGRQHSA-N 2 0 199.342 2.069 10 0 AEAERP CC(C)([NH3+])CCC[NH2+]C1CCCCC1 69634581 572125411 /nfs/dbraw/zinc/12/54/11/572125411.db2.gz FNIKJLXFNNPVCR-UHFFFAOYSA-N 2 0 198.354 2.426 10 0 AEAERP C[C@@H]1C[C@H]1C[N@H+](C)CCCC(C)(C)[NH3+] 69635006 572125548 /nfs/dbraw/zinc/12/55/48/572125548.db2.gz GIUXFNZFUZTOKV-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[N@H+](CCCC(C)(C)[NH3+])CC1CCC1 69634921 572125554 /nfs/dbraw/zinc/12/55/54/572125554.db2.gz LQSKBPUUDYUIRZ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[N@H+](CCCC(C)(C)[NH3+])C1CCCC1 69634448 572125570 /nfs/dbraw/zinc/12/55/70/572125570.db2.gz CYBVDYJAISERIV-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@@H](C)[N@H+](CC)C[C@H](C)C[NH3+] 300343977 572125667 /nfs/dbraw/zinc/12/56/67/572125667.db2.gz CECFVUBCXZFPIB-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CCCC(C)(C)[NH3+] 69634570 572125676 /nfs/dbraw/zinc/12/56/76/572125676.db2.gz OHXDQTJHVYEMGJ-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CCCC(C)(C)[NH3+])C(C)C 69634440 572125762 /nfs/dbraw/zinc/12/57/62/572125762.db2.gz MYRQJZONLZFPCM-UHFFFAOYSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)([NH3+])CCC[NH+]1CCCCCC1 69634387 572125776 /nfs/dbraw/zinc/12/57/76/572125776.db2.gz MSFIPFOJBMEBPC-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP C[C@@H]1CCC[N@H+](CCCC(C)(C)[NH3+])C1 69634385 572125907 /nfs/dbraw/zinc/12/59/07/572125907.db2.gz BXDNCHMSNGZOOS-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](C1CC1)[N@H+](C)CCCC(C)(C)[NH3+] 69634523 572125999 /nfs/dbraw/zinc/12/59/99/572125999.db2.gz YKXRHZORQYAOEH-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[N@H+](C)CCCC(C)(C)[NH3+] 69634396 572126054 /nfs/dbraw/zinc/12/60/54/572126054.db2.gz AKXRZFHOEUNVJA-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CCC[C@@H](C)[C@H]([NH3+])C(C)(C)[NH+](C)C 300344359 572126135 /nfs/dbraw/zinc/12/61/35/572126135.db2.gz QFLHOQWSQIHKTE-ZJUUUORDSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)C[N@H+](C)CCCC(C)(C)[NH3+] 69634459 572126257 /nfs/dbraw/zinc/12/62/57/572126257.db2.gz ZGTICBOZWBXYQC-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@H](C)[N@H+](CC)C[C@H](C)C[NH3+] 300343980 572126317 /nfs/dbraw/zinc/12/63/17/572126317.db2.gz CECFVUBCXZFPIB-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP C[C@@H]1C[C@@H]1C[N@H+](C)CCCC(C)(C)[NH3+] 69635003 572126439 /nfs/dbraw/zinc/12/64/39/572126439.db2.gz GIUXFNZFUZTOKV-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[C@@H]1C[N@H+](C)CCCC(C)(C)[NH3+] 69635005 572126476 /nfs/dbraw/zinc/12/64/76/572126476.db2.gz GIUXFNZFUZTOKV-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[C@H]1C[N@H+](C)CCCC(C)(C)[NH3+] 69635009 572126797 /nfs/dbraw/zinc/12/67/97/572126797.db2.gz GIUXFNZFUZTOKV-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC1CC[NH+](CCCC(C)(C)[NH3+])CC1 69634363 572126866 /nfs/dbraw/zinc/12/68/66/572126866.db2.gz SURQOVCZJHUXAK-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CCCC(C)(C)[NH3+] 69634567 572126869 /nfs/dbraw/zinc/12/68/69/572126869.db2.gz OHXDQTJHVYEMGJ-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@H](CC)C[NH2+]CC1C[NH2+]C1 300339910 572127096 /nfs/dbraw/zinc/12/70/96/572127096.db2.gz PJTWGWRBMREDBN-NSHDSACASA-N 2 0 198.354 2.012 10 0 AEAERP CC(C)([NH3+])CCC[NH2+]C1CCCC1 69634601 572127151 /nfs/dbraw/zinc/12/71/51/572127151.db2.gz OZJKYMAOZUVDRE-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP CC[C@@H](C)C[NH2+]CCCC(C)(C)[NH3+] 69634915 572127179 /nfs/dbraw/zinc/12/71/79/572127179.db2.gz YPAIIJJTIPNECS-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[N@H+](CCCC(C)(C)[NH3+])C1CC1 69634455 572127261 /nfs/dbraw/zinc/12/72/61/572127261.db2.gz YRQXWMTXCFQUOX-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1CCCC(C)(C)[NH3+] 69634375 572127279 /nfs/dbraw/zinc/12/72/79/572127279.db2.gz WFVLPHMXZJLILT-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)(C)C[NH2+]CCCC(C)(C)[NH3+] 69634624 572127297 /nfs/dbraw/zinc/12/72/97/572127297.db2.gz VLAOTEIIHSSOPL-UHFFFAOYSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCCC(C)(C)[NH3+] 69634461 572127309 /nfs/dbraw/zinc/12/73/09/572127309.db2.gz CAGYVNQBOBBRGY-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP C[C@H]1CCC[N@H+](CCCC(C)(C)[NH3+])C1 69634386 572127335 /nfs/dbraw/zinc/12/73/35/572127335.db2.gz BXDNCHMSNGZOOS-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)([NH3+])CCC[N@@H+]1CCCC1(C)C 69634946 572127375 /nfs/dbraw/zinc/12/73/75/572127375.db2.gz QHQYRXYAWZMKMD-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@H](CC)C[NH2+]C[C@@H](C)[NH3+] 300339319 572128492 /nfs/dbraw/zinc/12/84/92/572128492.db2.gz CJYXUTQBTZUKFF-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP CCCC[C@H](CC)C[NH2+]CC1([NH3+])CC1 300339982 572128655 /nfs/dbraw/zinc/12/86/55/572128655.db2.gz VCOFCYQTQAOLQE-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[N@@H+](C1CC[NH2+]CC1)[C@H](C)CC 37469618 572130099 /nfs/dbraw/zinc/13/00/99/572130099.db2.gz OPMOSGWYGNJVQU-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]1CC([N@H+](C)CCC[NH3+])C[C@@H](C)C1 82832661 572130132 /nfs/dbraw/zinc/13/01/32/572130132.db2.gz ZGCFSORAAWRSBZ-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](CCCC(C)(C)[NH3+])CC1CC1 69635011 572130167 /nfs/dbraw/zinc/13/01/67/572130167.db2.gz GXOBWXZPESHBHE-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1CC([NH2+]CCCC[NH3+])C[C@H](C)C1 82830203 572131442 /nfs/dbraw/zinc/13/14/42/572131442.db2.gz CJFXAYJHEMDKPS-FOSCPWQOSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1CC([N@H+](C)CCC[NH3+])C[C@H](C)C1 82832660 572130473 /nfs/dbraw/zinc/13/04/73/572130473.db2.gz ZGCFSORAAWRSBZ-FOSCPWQOSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CC([N@H+](C)CCC[NH3+])C[C@H](C)C1 82832662 572130513 /nfs/dbraw/zinc/13/05/13/572130513.db2.gz ZGCFSORAAWRSBZ-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C/C=C/C[N@@H+](CCC)C1CC[NH2+]CC1 37469609 572131259 /nfs/dbraw/zinc/13/12/59/572131259.db2.gz XHWDBSCJFZVYJH-HWKANZROSA-N 2 0 196.338 2.027 10 0 AEAERP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H](C)CC 37469617 572131697 /nfs/dbraw/zinc/13/16/97/572131697.db2.gz OPMOSGWYGNJVQU-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1CC[C@@H]([NH2+]CCCC[NH3+])C[C@@H]1C 82836882 572133054 /nfs/dbraw/zinc/13/30/54/572133054.db2.gz WSJGZKVTPPICTI-SDDRHHMPSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@H]1CCC[NH3+] 300350190 572134536 /nfs/dbraw/zinc/13/45/36/572134536.db2.gz UFZRFUSDYQEIPH-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H]1CC[C@H]([NH2+]CCCC[NH3+])C[C@@H]1C 82836880 572134585 /nfs/dbraw/zinc/13/45/85/572134585.db2.gz WSJGZKVTPPICTI-SRVKXCTJSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[C@H]1CCC[NH3+] 300350191 572134890 /nfs/dbraw/zinc/13/48/90/572134890.db2.gz UFZRFUSDYQEIPH-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH3+] 300349819 572134966 /nfs/dbraw/zinc/13/49/66/572134966.db2.gz SABYDEHSJUXNBC-AXFHLTTASA-N 2 0 184.327 2.035 10 0 AEAERP CC(C)(C)C[NH+]1CCC(CC[NH3+])CC1 69729556 572135072 /nfs/dbraw/zinc/13/50/72/572135072.db2.gz TYGORSRGWBHGRA-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]CC[C@H]1CCCC[N@@H+]1CC(C)C 69730862 572135157 /nfs/dbraw/zinc/13/51/57/572135157.db2.gz KDJBQLUKABNOSZ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 69724610 572135207 /nfs/dbraw/zinc/13/52/07/572135207.db2.gz ZZTCGTXKXAVOLO-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)(C)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 69723869 572135249 /nfs/dbraw/zinc/13/52/49/572135249.db2.gz WXINJFSCCZTZEA-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)=CC[N@@H+]1CCC[C@H](CC[NH3+])C1 69724227 572135528 /nfs/dbraw/zinc/13/55/28/572135528.db2.gz NYIABDOUOVWNRT-GFCCVEGCSA-N 2 0 196.338 2.013 10 0 AEAERP C[NH2+]CC[C@H]1CCCC[N@@H+]1C1CCC1 69730700 572135596 /nfs/dbraw/zinc/13/55/96/572135596.db2.gz KJDPHHVZMOKEOL-GFCCVEGCSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724612 572135786 /nfs/dbraw/zinc/13/57/86/572135786.db2.gz GIFWAAGMHPOJLQ-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)C[NH2+]CC 300378186 572135819 /nfs/dbraw/zinc/13/58/19/572135819.db2.gz GNOSZNSGPREWEU-UTUOFQBUSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]CC[C@@H]1CCCC[N@@H+]1C1CCC1 69730699 572135954 /nfs/dbraw/zinc/13/59/54/572135954.db2.gz KJDPHHVZMOKEOL-LBPRGKRZSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 69723908 572136008 /nfs/dbraw/zinc/13/60/08/572136008.db2.gz VFMKJXSBTLSKAN-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)=CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 69724229 572136158 /nfs/dbraw/zinc/13/61/58/572136158.db2.gz NYIABDOUOVWNRT-LBPRGKRZSA-N 2 0 196.338 2.013 10 0 AEAERP CC(C)=CC[NH+]1CCC(CC[NH3+])CC1 69729977 572136245 /nfs/dbraw/zinc/13/62/45/572136245.db2.gz GHKZKLNBFAAFRS-UHFFFAOYSA-N 2 0 196.338 2.013 10 0 AEAERP CCC(CC)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724607 572136346 /nfs/dbraw/zinc/13/63/46/572136346.db2.gz ZZTCGTXKXAVOLO-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@@H+]1CCCC[C@@H]1CC[NH2+]C 69730764 572136424 /nfs/dbraw/zinc/13/64/24/572136424.db2.gz DMZXBNXJJVRONL-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69727745 572136441 /nfs/dbraw/zinc/13/64/41/572136441.db2.gz CQMWOWPQUJJCAL-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP C/C=C/C[N@H+]1CCCC[C@@H]1CC[NH2+]C 69731024 572136581 /nfs/dbraw/zinc/13/65/81/572136581.db2.gz AGBFHOIDVMXWLE-AAOUONPWSA-N 2 0 196.338 2.027 10 0 AEAERP CCC(CC)[N@@H+]1CCC[C@@H](CC[NH3+])C1 69723884 572136704 /nfs/dbraw/zinc/13/67/04/572136704.db2.gz VRERRZTUXDNJQQ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)([NH3+])CCC 300377728 572136809 /nfs/dbraw/zinc/13/68/09/572136809.db2.gz GARROUREHGPNRS-WOPDTQHZSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[N@@H+]1CCCC[C@@H]1CC[NH2+]C 69730723 572136857 /nfs/dbraw/zinc/13/68/57/572136857.db2.gz AHEFPXMJVSRETR-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCC(CC)[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 69727739 572136972 /nfs/dbraw/zinc/13/69/72/572136972.db2.gz DMAYCKBIQSBCEF-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C/C=C/C[N@H+]1CCCC[C@H]1CC[NH2+]C 69731026 572137021 /nfs/dbraw/zinc/13/70/21/572137021.db2.gz AGBFHOIDVMXWLE-PCAWENJQSA-N 2 0 196.338 2.027 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)C[NH2+]CC 300378185 572137213 /nfs/dbraw/zinc/13/72/13/572137213.db2.gz GNOSZNSGPREWEU-TUAOUCFPSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724755 572137328 /nfs/dbraw/zinc/13/73/28/572137328.db2.gz CXBYJIRCFZKLGA-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 69729569 572137371 /nfs/dbraw/zinc/13/73/71/572137371.db2.gz BAZKPBUYBLEGSH-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[NH+]1CCC(CC[NH3+])CC1 69729568 572137514 /nfs/dbraw/zinc/13/75/14/572137514.db2.gz QRBASXDHRGCWHZ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69727735 572137523 /nfs/dbraw/zinc/13/75/23/572137523.db2.gz DMAYCKBIQSBCEF-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@](C)([NH3+])CCC 300377726 572137595 /nfs/dbraw/zinc/13/75/95/572137595.db2.gz GARROUREHGPNRS-IJLUTSLNSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)([NH3+])CCC 300377725 572137660 /nfs/dbraw/zinc/13/76/60/572137660.db2.gz GARROUREHGPNRS-GRYCIOLGSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)[NH+]1CCC(CC[NH3+])CC1 69729571 572137688 /nfs/dbraw/zinc/13/76/88/572137688.db2.gz BAZKPBUYBLEGSH-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724614 572137780 /nfs/dbraw/zinc/13/77/80/572137780.db2.gz GIFWAAGMHPOJLQ-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[N@@H+]1CCC[C@H](CC[NH3+])C1 69723881 572137819 /nfs/dbraw/zinc/13/78/19/572137819.db2.gz VRERRZTUXDNJQQ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCCC[NH+]1CCC([NH2+]C)CC1 37469323 572137827 /nfs/dbraw/zinc/13/78/27/572137827.db2.gz KYQIOWXNESAMRD-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+]CC[C@@H]1CCCC[N@@H+]1CC(C)C 69730864 572137902 /nfs/dbraw/zinc/13/79/02/572137902.db2.gz KDJBQLUKABNOSZ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)(C)C[N@@H+]1CCC[C@H](CC[NH3+])C1 69723866 572137915 /nfs/dbraw/zinc/13/79/15/572137915.db2.gz WXINJFSCCZTZEA-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 69723903 572138079 /nfs/dbraw/zinc/13/80/79/572138079.db2.gz VFMKJXSBTLSKAN-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC1(C[NH2+]CCCCC[NH3+])CCCC1 69734706 572138493 /nfs/dbraw/zinc/13/84/93/572138493.db2.gz DNNJLBRSURPDRN-UHFFFAOYSA-N 2 0 198.354 2.285 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C)CC1 300363518 572138612 /nfs/dbraw/zinc/13/86/12/572138612.db2.gz DSLDFNXPBMALPD-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]CC[C@H](C)[NH2+]CC 300379353 572138697 /nfs/dbraw/zinc/13/86/97/572138697.db2.gz HEPWYKTUFSTIEI-QJPTWQEYSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](C)CC1 300363519 572138721 /nfs/dbraw/zinc/13/87/21/572138721.db2.gz DSLDFNXPBMALPD-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CC1([NH2+]CCCCC[NH3+])CCCCC1 69734656 572138815 /nfs/dbraw/zinc/13/88/15/572138815.db2.gz GUSACTPZCOHZDJ-UHFFFAOYSA-N 2 0 198.354 2.428 10 0 AEAERP [NH3+]CCCCC[NH2+]C1CCCCCC1 69734550 572138977 /nfs/dbraw/zinc/13/89/77/572138977.db2.gz GYKVSMRPBANTFE-UHFFFAOYSA-N 2 0 198.354 2.428 10 0 AEAERP [NH3+]CCCCC[NH2+]C1CCCCC1 69734555 572139071 /nfs/dbraw/zinc/13/90/71/572139071.db2.gz ACPXGLYVVHLMRG-UHFFFAOYSA-N 2 0 184.327 2.038 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@H](C)[NH2+]CC 300379355 572139340 /nfs/dbraw/zinc/13/93/40/572139340.db2.gz HEPWYKTUFSTIEI-TUAOUCFPSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(CC)C[NH3+] 300379385 572139355 /nfs/dbraw/zinc/13/93/55/572139355.db2.gz HHXYNZQOMMCVCE-GRYCIOLGSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@H](C)[NH2+]CCCCC[NH3+] 69734672 572139419 /nfs/dbraw/zinc/13/94/19/572139419.db2.gz ANCTZNYLNBIQMI-NSHDSACASA-N 2 0 186.343 2.284 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@](C)(CC)C[NH3+] 300379386 572139673 /nfs/dbraw/zinc/13/96/73/572139673.db2.gz HHXYNZQOMMCVCE-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)(CC)C[NH3+] 300379387 572140211 /nfs/dbraw/zinc/14/02/11/572140211.db2.gz HHXYNZQOMMCVCE-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC(=[NH2+])NCC[N@H+](C)[C@H](C)CC 300368267 572140254 /nfs/dbraw/zinc/14/02/54/572140254.db2.gz QNLNVSSQDZFUFD-SNVBAGLBSA-N 2 0 199.342 2.084 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CC(CC)(CC)C[NH3+] 300379318 572140610 /nfs/dbraw/zinc/14/06/10/572140610.db2.gz HDACUSFFEYGBKP-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@@H](C)[NH2+]CC 300379357 572140684 /nfs/dbraw/zinc/14/06/84/572140684.db2.gz HEPWYKTUFSTIEI-UTUOFQBUSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H]([NH3+])CCCC[NH2+]CC1(C)CCC1 235151967 572140739 /nfs/dbraw/zinc/14/07/39/572140739.db2.gz VWWWAPHQZXBART-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC1(C[NH2+]CC[C@@H]([NH3+])C(C)(C)C)CC1 300362259 572140786 /nfs/dbraw/zinc/14/07/86/572140786.db2.gz CLVHNUKSLNGKFE-SNVBAGLBSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H]1C[C@H]1[NH2+]CC[C@H]([NH3+])C(C)(C)C 300374968 572141430 /nfs/dbraw/zinc/14/14/30/572141430.db2.gz CICNDUNSYUKXQG-MXWKQRLJSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])[C@H](C)CC 300374204 572141649 /nfs/dbraw/zinc/14/16/49/572141649.db2.gz BMPRPVAAYNOVEW-WYUUTHIRSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])[C@@H](C)CC 300374201 572141735 /nfs/dbraw/zinc/14/17/35/572141735.db2.gz BMPRPVAAYNOVEW-QCNOEVLYSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@@H]([NH3+])C(C)(C)C 300374970 572141746 /nfs/dbraw/zinc/14/17/46/572141746.db2.gz CICNDUNSYUKXQG-OUAUKWLOSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])[C@@H](C)CC 300374202 572142299 /nfs/dbraw/zinc/14/22/99/572142299.db2.gz BMPRPVAAYNOVEW-USZNOCQGSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC1([NH3+])CCCC1 300373108 572142556 /nfs/dbraw/zinc/14/25/56/572142556.db2.gz ADZQMBRLPVZLSD-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@H]([NH3+])CCCC[NH2+]C[C@@H]1CC1(C)C 235152296 572142953 /nfs/dbraw/zinc/14/29/53/572142953.db2.gz IYSFRHKTVGNVIB-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])[C@H](C)CC 300374199 572143024 /nfs/dbraw/zinc/14/30/24/572143024.db2.gz BMPRPVAAYNOVEW-KKOKHZNYSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)[NH2+]CC 300375413 572143389 /nfs/dbraw/zinc/14/33/89/572143389.db2.gz CWRAAJRQVBCVQX-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H]([NH3+])CCCC[NH2+]C[C@H]1CC1(C)C 235152405 572143511 /nfs/dbraw/zinc/14/35/11/572143511.db2.gz IYSFRHKTVGNVIB-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[N@H+](CC)CCCC[NH2+]C 37477893 572144300 /nfs/dbraw/zinc/14/43/00/572144300.db2.gz XRDNDEINLDDBHM-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H](C)CC1 300381863 572144247 /nfs/dbraw/zinc/14/42/47/572144247.db2.gz VQQQPGQVVCVCRM-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1CCCC[NH2+]C 37477936 572144346 /nfs/dbraw/zinc/14/43/46/572144346.db2.gz MGLXMYWITGMPDX-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+]CCCC[N@@H+]1[C@@H](C)CCC[C@H]1C 37477915 572144453 /nfs/dbraw/zinc/14/44/53/572144453.db2.gz JOAFHDSTAWWYAF-TXEJJXNPSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH+](CCC)CCCC[NH2+]C 37477885 572144540 /nfs/dbraw/zinc/14/45/40/572144540.db2.gz WMNVIQPZBNRDMJ-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@@H]([NH3+])C(C)C 300385430 572144883 /nfs/dbraw/zinc/14/48/83/572144883.db2.gz NKVTWTXSFBPDTB-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]CC[C@H]([NH3+])C(C)C 300385428 572144961 /nfs/dbraw/zinc/14/49/61/572144961.db2.gz NKVTWTXSFBPDTB-GRYCIOLGSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CCC[NH2+]C(C)C 300381990 572145102 /nfs/dbraw/zinc/14/51/02/572145102.db2.gz JZSCUPPBTPFUOF-NEPJUHHUSA-N 2 0 198.354 2.153 10 0 AEAERP CCCCC[N@H+](C)CCCC[NH2+]C 37477948 572145185 /nfs/dbraw/zinc/14/51/85/572145185.db2.gz APJUXOWLJHTYRQ-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+][C@H]1C[C@H]1CCC 300381137 572145260 /nfs/dbraw/zinc/14/52/60/572145260.db2.gz IXSRSKYKZWUFBB-WOPDTQHZSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+]CCCC[NH+]1CCCCCCC1 37477927 572145241 /nfs/dbraw/zinc/14/52/41/572145241.db2.gz YGEBYNCQHVFFKU-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CCCC[C@@H](C)[NH3+] 300380671 572145362 /nfs/dbraw/zinc/14/53/62/572145362.db2.gz IPTWJXVFUOWEPO-UTUOFQBUSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]1CCC 300382481 572145456 /nfs/dbraw/zinc/14/54/56/572145456.db2.gz KMDMETKGYSWKDJ-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CC1([NH3+])CCCCC1 300381558 572145555 /nfs/dbraw/zinc/14/55/55/572145555.db2.gz JILOIKMQSRBJFK-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CCC[N@H+](CCCC[NH2+]C)C(C)C 37477939 572145593 /nfs/dbraw/zinc/14/55/93/572145593.db2.gz QGFKRCBEVIQCBU-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CCCC[NH2+]C 37477946 572145626 /nfs/dbraw/zinc/14/56/26/572145626.db2.gz KGWBPOVOHIQVHG-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]CCCC[C@H](C)[NH3+] 300380669 572145699 /nfs/dbraw/zinc/14/56/99/572145699.db2.gz IPTWJXVFUOWEPO-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]1CCC 300382483 572145813 /nfs/dbraw/zinc/14/58/13/572145813.db2.gz KMDMETKGYSWKDJ-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CCCC(C)(C)[NH3+] 300376701 572145817 /nfs/dbraw/zinc/14/58/17/572145817.db2.gz DZAJSEWNKUSHJK-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C 37477935 572145846 /nfs/dbraw/zinc/14/58/46/572145846.db2.gz MGLXMYWITGMPDX-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H]1CCC 300381135 572145887 /nfs/dbraw/zinc/14/58/87/572145887.db2.gz IXSRSKYKZWUFBB-GRYCIOLGSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+]CCCC[NH+]1[C@H](C)CCC[C@H]1C 37477917 572146161 /nfs/dbraw/zinc/14/61/61/572146161.db2.gz JOAFHDSTAWWYAF-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CCCC[C@H](C)[NH3+] 300380670 572146369 /nfs/dbraw/zinc/14/63/69/572146369.db2.gz IPTWJXVFUOWEPO-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H](C)CC1 300381862 572146486 /nfs/dbraw/zinc/14/64/86/572146486.db2.gz VQQQPGQVVCVCRM-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+]CCCC[N@H+](C)C1CCCCC1 37477896 572146513 /nfs/dbraw/zinc/14/65/13/572146513.db2.gz YSFVTXKXHPJYKL-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@H](C)[N@H+](CC)CCCC[NH2+]C 37477947 572146521 /nfs/dbraw/zinc/14/65/21/572146521.db2.gz KGWBPOVOHIQVHG-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@H]([NH3+])C(C)C 300385432 572146738 /nfs/dbraw/zinc/14/67/38/572146738.db2.gz NKVTWTXSFBPDTB-WOPDTQHZSA-N 2 0 198.354 2.138 10 0 AEAERP C[NH2+]CCCC[NH+]1[C@@H](C)CCC[C@@H]1C 37477916 572146930 /nfs/dbraw/zinc/14/69/30/572146930.db2.gz JOAFHDSTAWWYAF-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]C1CCCCCC1 69840685 572149201 /nfs/dbraw/zinc/14/92/01/572149201.db2.gz IKHGSCKENFCAHP-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@@H]1CCC[N@H+](CCCC[NH2+]C)C1 37477976 572147501 /nfs/dbraw/zinc/14/75/01/572147501.db2.gz ZIAPTJQWPPVSFW-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]C1(C)CCCCC1 69840947 572149211 /nfs/dbraw/zinc/14/92/11/572149211.db2.gz YXLXGOUGYMKRLV-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])CC(C)C 300383276 572147570 /nfs/dbraw/zinc/14/75/70/572147570.db2.gz LDFSPTRZALZWSH-WOPDTQHZSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]CC1(C)CCCC1 69841035 572149217 /nfs/dbraw/zinc/14/92/17/572149217.db2.gz PSDFLXNTPJREOR-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])CC(C)C 300383275 572147797 /nfs/dbraw/zinc/14/77/97/572147797.db2.gz LDFSPTRZALZWSH-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+]CC1(C)CCCCC1 235154292 572148188 /nfs/dbraw/zinc/14/81/88/572148188.db2.gz QKZWLWSJHQIMEW-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]CC1(C)CCCC1 69841033 572148341 /nfs/dbraw/zinc/14/83/41/572148341.db2.gz PSDFLXNTPJREOR-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H]1CCC[N@H+](CCCC[NH2+]C)C1 37477977 572148466 /nfs/dbraw/zinc/14/84/66/572148466.db2.gz ZIAPTJQWPPVSFW-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCCC[C@H](C)[NH2+]CCC[C@H](C)[NH3+] 69840976 572148510 /nfs/dbraw/zinc/14/85/10/572148510.db2.gz XTCUSEGVQFBAKH-QWRGUYRKSA-N 2 0 186.343 2.282 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]C1CCCCC1 69840691 572148618 /nfs/dbraw/zinc/14/86/18/572148618.db2.gz XHIVFSDLDDUPSL-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CCC(CC)[N@H+](C)CCCC[NH2+]C 37477972 572148624 /nfs/dbraw/zinc/14/86/24/572148624.db2.gz UQHVTYWMILTOPE-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CCCC[C@H](C)[NH2+]CCC[C@@H](C)[NH3+] 69840972 572148823 /nfs/dbraw/zinc/14/88/23/572148823.db2.gz XTCUSEGVQFBAKH-MNOVXSKESA-N 2 0 186.343 2.282 10 0 AEAERP CCC[NH2+][C@H](CC)c1cnccc1N 69845252 572148913 /nfs/dbraw/zinc/14/89/13/572148913.db2.gz VXYOTUMQNYIOOX-LLVKDONJSA-N 2 0 193.294 2.115 10 0 AEAERP CCC[C@H]([NH2+]CC)c1cnccc1N 69845302 572148944 /nfs/dbraw/zinc/14/89/44/572148944.db2.gz HLQRWLUVMPJGQX-NSHDSACASA-N 2 0 193.294 2.115 10 0 AEAERP CCC[C@H](C)[N@H+](C)CCCC[NH2+]C 37477974 572148971 /nfs/dbraw/zinc/14/89/71/572148971.db2.gz LUWUETAFNOLSHV-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCCC[C@@H](C)[NH2+]CCC[C@@H](C)[NH3+] 69840970 572148980 /nfs/dbraw/zinc/14/89/80/572148980.db2.gz XTCUSEGVQFBAKH-GHMZBOCLSA-N 2 0 186.343 2.282 10 0 AEAERP CC[N@H+](CCCC[NH2+]C)C1CCCC1 37477958 572149153 /nfs/dbraw/zinc/14/91/53/572149153.db2.gz MZOJYXNOLWOBTQ-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]([NH3+])CC(C)C 300383274 572149041 /nfs/dbraw/zinc/14/90/41/572149041.db2.gz LDFSPTRZALZWSH-IJLUTSLNSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[C@@H](C)[NH2+]CCC[C@H](C)[NH3+] 69840974 572149092 /nfs/dbraw/zinc/14/90/92/572149092.db2.gz XTCUSEGVQFBAKH-WDEREUQCSA-N 2 0 186.343 2.282 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CCCC[NH2+]C 37477973 572149105 /nfs/dbraw/zinc/14/91/05/572149105.db2.gz LUWUETAFNOLSHV-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]C1CCCCC1 69840693 572149147 /nfs/dbraw/zinc/14/91/47/572149147.db2.gz XHIVFSDLDDUPSL-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP CCC[C@@H]([NH2+]CC)c1cnccc1N 69845304 572149409 /nfs/dbraw/zinc/14/94/09/572149409.db2.gz HLQRWLUVMPJGQX-LLVKDONJSA-N 2 0 193.294 2.115 10 0 AEAERP CCC[NH2+][C@@H](CC)c1cnccc1N 69845251 572149471 /nfs/dbraw/zinc/14/94/71/572149471.db2.gz VXYOTUMQNYIOOX-NSHDSACASA-N 2 0 193.294 2.115 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]C1CCCCCC1 69840683 572149613 /nfs/dbraw/zinc/14/96/13/572149613.db2.gz IKHGSCKENFCAHP-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@H](C)[N@H+](CC)CCC[NH2+]C1CC1 37478575 572150269 /nfs/dbraw/zinc/15/02/69/572150269.db2.gz VKXNFMKUOQVFLO-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[N@H+](C)CCC[NH2+]C1CC1 37478629 572150399 /nfs/dbraw/zinc/15/03/99/572150399.db2.gz JZVHZBFOCRYKHT-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[N@H+](CC)CCC[NH2+]C1CC1 37478501 572150413 /nfs/dbraw/zinc/15/04/13/572150413.db2.gz LCSJOFVULSWPJM-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CCC[NH2+]C1CC1 37478628 572150426 /nfs/dbraw/zinc/15/04/26/572150426.db2.gz JZVHZBFOCRYKHT-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[NH2+]CCC[N@@H+]1CCC[C@@H](C)C1 37480262 572150622 /nfs/dbraw/zinc/15/06/22/572150622.db2.gz ACXZFZWQFBTCQX-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CCCCCC[NH3+] 300385777 572150649 /nfs/dbraw/zinc/15/06/49/572150649.db2.gz NVZJRJAFHRAYND-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)[NH2+]CCC[N@@H+]1CCC[C@H](C)C1 37480263 572150815 /nfs/dbraw/zinc/15/08/15/572150815.db2.gz ACXZFZWQFBTCQX-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)CC1([NH3+])CCCC1 37479613 572150891 /nfs/dbraw/zinc/15/08/91/572150891.db2.gz CTZPYUODUXQEKX-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[N@H+](CCC[NH2+]C(C)C)C(C)C 37480289 572151192 /nfs/dbraw/zinc/15/11/92/572151192.db2.gz ONKMJSYLIIABIO-UHFFFAOYSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[N@H+](CC1([NH3+])CCCC1)C1CC1 37479605 572151318 /nfs/dbraw/zinc/15/13/18/572151318.db2.gz STBCRBYCNCVTNW-UHFFFAOYSA-N 2 0 196.338 2.132 10 0 AEAERP CC(C)[NH2+]CCC[N@H+](C)C1CCCC1 37480292 572151352 /nfs/dbraw/zinc/15/13/52/572151352.db2.gz VEEGSNNUGWHADI-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](CCC[NH2+]C1CC1)C(C)C 37478560 572151480 /nfs/dbraw/zinc/15/14/80/572151480.db2.gz IBGQRRVBRIOOKS-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CCC[NH2+]C1CC1 37478580 572151508 /nfs/dbraw/zinc/15/15/08/572151508.db2.gz MLUCFHFQUQKJPK-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CCC[NH2+]C1CC1 37478623 572151688 /nfs/dbraw/zinc/15/16/88/572151688.db2.gz SMKLTCSGWMXOKV-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[NH2+]CCC[N@H+](C)[C@@H](C)C1CC1 37480323 572151782 /nfs/dbraw/zinc/15/17/82/572151782.db2.gz QPQKEJZOUFEWNY-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CCC1([NH3+])CCCC1 300387179 572151825 /nfs/dbraw/zinc/15/18/25/572151825.db2.gz PDAYBBMQHOVFET-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CCC[NH2+]C1CC1 37478622 572151833 /nfs/dbraw/zinc/15/18/33/572151833.db2.gz SMKLTCSGWMXOKV-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@H+](CCC[NH2+]C1CC1)C1CCCC1 37478556 572152091 /nfs/dbraw/zinc/15/20/91/572152091.db2.gz QSHRVKJRPWVQFK-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CC[N@H+](CCC[NH3+])C1CCC(C)CC1 82848496 572151952 /nfs/dbraw/zinc/15/19/52/572151952.db2.gz YCTAEULCMMXVTO-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[N@H+](C)CCC[NH2+]C1CC1 37478578 572152040 /nfs/dbraw/zinc/15/20/40/572152040.db2.gz BOPXJYSHVFCCCN-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CCC[NH2+]C1CC1 37478574 572152376 /nfs/dbraw/zinc/15/23/76/572152376.db2.gz VKXNFMKUOQVFLO-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)C[N@H+](C)CCC[NH2+]C1CC1 37478581 572152411 /nfs/dbraw/zinc/15/24/11/572152411.db2.gz MLUCFHFQUQKJPK-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CCCC[NH2+]C(C)C 300387151 572152490 /nfs/dbraw/zinc/15/24/90/572152490.db2.gz PCBZFYOYUFSVCY-NEPJUHHUSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[N@H+](CCC[NH2+]C1CC1)C1CC1 37478562 572152502 /nfs/dbraw/zinc/15/25/02/572152502.db2.gz AMBVWBJABHEJDI-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]1C[C@H]([N@H+](C)CCC[NH3+])CC[C@H]1C 82841741 572154151 /nfs/dbraw/zinc/15/41/51/572154151.db2.gz MHRPJAIZUHNVNJ-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(CC)[N@H+](C)CCC[NH2+]C1CC1 37478626 572152574 /nfs/dbraw/zinc/15/25/74/572152574.db2.gz AQODNHOMHDBFEE-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[N@H+](C)CCC[NH2+]C(C)C 37480299 572152800 /nfs/dbraw/zinc/15/28/00/572152800.db2.gz XEPKIBANCCBCFZ-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP C[C@H]1C[C@@H]([N@H+](C)CCC[NH3+])CC[C@H]1C 82841738 572154129 /nfs/dbraw/zinc/15/41/29/572154129.db2.gz MHRPJAIZUHNVNJ-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[NH2+]CCC[N@H+](C)[C@H](C)C1CC1 37480324 572152991 /nfs/dbraw/zinc/15/29/91/572152991.db2.gz QPQKEJZOUFEWNY-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1CC[C@H]([N@H+](C)CCC[NH3+])C[C@@H]1C 82841739 572153106 /nfs/dbraw/zinc/15/31/06/572153106.db2.gz MHRPJAIZUHNVNJ-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](C)CCC[NH2+]C(C)C 37480268 572153107 /nfs/dbraw/zinc/15/31/07/572153107.db2.gz BPYDYTOQYOTIJB-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[N@H+](CC)CCC[NH2+]C(C)C 37480293 572153171 /nfs/dbraw/zinc/15/31/71/572153171.db2.gz WOHNTIWFKBABQX-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[N@H+](CCC[NH2+]C(C)C)C1CC1 37480295 572153225 /nfs/dbraw/zinc/15/32/25/572153225.db2.gz UOPMIQLJESIHMI-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1CC[C@@H]([N@H+](C)CCC[NH3+])C[C@@H]1C 82841744 572153252 /nfs/dbraw/zinc/15/32/52/572153252.db2.gz MHRPJAIZUHNVNJ-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC[NH2+]C(C)C 37480298 572153268 /nfs/dbraw/zinc/15/32/68/572153268.db2.gz XEPKIBANCCBCFZ-LLVKDONJSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H](C)[N@H+](C)CC1CCC([NH3+])CC1 37482444 572153588 /nfs/dbraw/zinc/15/35/88/572153588.db2.gz AIUFQTPWBYZXJD-UNXYVOJBSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+](C)CCC[NH2+]C(C)(C)C 37482901 572153687 /nfs/dbraw/zinc/15/36/87/572153687.db2.gz SPERKUAZTJMIRV-UHFFFAOYSA-N 2 0 186.343 2.105 10 0 AEAERP CC[N@H+](CCC[NH2+]C(C)(C)C)C1CC1 37482931 572153752 /nfs/dbraw/zinc/15/37/52/572153752.db2.gz KJSOBJYUWYDPRZ-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CCC[C@@H](C)C[NH3+] 300389231 572153913 /nfs/dbraw/zinc/15/39/13/572153913.db2.gz RSMMEKWUCXDFDZ-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CC[N@H+](CCCC[NH2+]C(C)C)C1CC1 37482930 572153981 /nfs/dbraw/zinc/15/39/81/572153981.db2.gz SRBNNTDGTKWMDW-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1C 37480788 572154042 /nfs/dbraw/zinc/15/40/42/572154042.db2.gz JKSMJTGYZSLEPD-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[NH2+]CCCC[N@H+](C)C(C)C 37482900 572154641 /nfs/dbraw/zinc/15/46/41/572154641.db2.gz GHTNWJMYRIXQRH-UHFFFAOYSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[N@H+](CC)CC1CCC([NH3+])CC1 37482433 572154694 /nfs/dbraw/zinc/15/46/94/572154694.db2.gz XMGGRUXITMSITL-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@H]([NH3+])C[N@@H+]1CCC[C@H](C)C1 37480807 572154792 /nfs/dbraw/zinc/15/47/92/572154792.db2.gz VESCAVFKGXLCEN-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)CCCC[NH2+]C(C)C 37482866 572155084 /nfs/dbraw/zinc/15/50/84/572155084.db2.gz DEMAPDNCMGKOCF-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[N@H+](C)CCC[NH2+]C(C)(C)C 37482949 572155322 /nfs/dbraw/zinc/15/53/22/572155322.db2.gz TWXSWRAGRBXOIX-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CC[C@@H](C)[N@H+](C)CC1CCC([NH3+])CC1 37482443 572155397 /nfs/dbraw/zinc/15/53/97/572155397.db2.gz AIUFQTPWBYZXJD-VOMCLLRMSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1CCC[C@@H]([NH2+]CCCC[NH3+])[C@@H]1C 82858755 572155405 /nfs/dbraw/zinc/15/54/05/572155405.db2.gz QJSNFTBQGFNSNA-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CCC[C@H](C)C[NH3+] 300389230 572155661 /nfs/dbraw/zinc/15/56/61/572155661.db2.gz RSMMEKWUCXDFDZ-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]CCC[C@H](C)C[NH3+] 300389229 572155509 /nfs/dbraw/zinc/15/55/09/572155509.db2.gz RSMMEKWUCXDFDZ-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[N@H+](C)CC1CCC([NH3+])CC1 37482388 572155521 /nfs/dbraw/zinc/15/55/21/572155521.db2.gz HSFPWQUICKDWLZ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCC[C@H]([NH2+]CCCC[NH3+])[C@@H]1C 82858753 572155696 /nfs/dbraw/zinc/15/56/96/572155696.db2.gz QJSNFTBQGFNSNA-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@H]([NH3+])C[N@H+](CCC)C1CC1 37480947 572155714 /nfs/dbraw/zinc/15/57/14/572155714.db2.gz RHBRXFNIIGSZTM-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@H+](C)CCCC 37480832 572155743 /nfs/dbraw/zinc/15/57/43/572155743.db2.gz NGFLXULHBJJPSW-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[N@H+](C)C[C@](C)([NH3+])CCC 37480833 572155886 /nfs/dbraw/zinc/15/58/86/572155886.db2.gz NHRACLFNFQIFMJ-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@H+](CCC)C1CC1 37480948 572156051 /nfs/dbraw/zinc/15/60/51/572156051.db2.gz RHBRXFNIIGSZTM-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H]1CC[C@@H](C)[C@H]([NH2+]CCCC[NH3+])C1 82858763 572155998 /nfs/dbraw/zinc/15/59/98/572155998.db2.gz JSBNKCKOKYUBNZ-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[N@H+](C[C@](C)([NH3+])CCC)C1CC1 37480950 572156324 /nfs/dbraw/zinc/15/63/24/572156324.db2.gz GEZMJKLNHBSSHS-GFCCVEGCSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H]1CC[C@H](C)[C@H]([NH2+]CCCC[NH3+])C1 82858761 572156511 /nfs/dbraw/zinc/15/65/11/572156511.db2.gz JSBNKCKOKYUBNZ-SDDRHHMPSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H](C)CC1 235155660 572156592 /nfs/dbraw/zinc/15/65/92/572156592.db2.gz VQQQPGQVVCVCRM-UTUOFQBUSA-N 2 0 198.354 2.282 10 0 AEAERP CCCCC[N@H+](C)C[C@@](C)([NH3+])C1CC1 37479227 572156971 /nfs/dbraw/zinc/15/69/71/572156971.db2.gz NWRFCTXMYMGUBK-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@H]([NH3+])C[N@H+](C)CCCC 37480831 572157018 /nfs/dbraw/zinc/15/70/18/572157018.db2.gz NGFLXULHBJJPSW-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[N@H+](C)C[C@@](C)([NH3+])CCC 37480834 572157220 /nfs/dbraw/zinc/15/72/20/572157220.db2.gz NHRACLFNFQIFMJ-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCC[N@H+](C[C@@](C)([NH3+])CCC)C1CC1 37480949 572157312 /nfs/dbraw/zinc/15/73/12/572157312.db2.gz GEZMJKLNHBSSHS-LBPRGKRZSA-N 2 0 198.354 2.378 10 0 AEAERP CCCCC[N@H+](C)C[C@](C)([NH3+])C1CC1 37479226 572157339 /nfs/dbraw/zinc/15/73/39/572157339.db2.gz NWRFCTXMYMGUBK-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]CC[C@H](CC)C[NH3+] 300391277 572157947 /nfs/dbraw/zinc/15/79/47/572157947.db2.gz VKXLXSQYGZHYTF-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@@H](CC)C[NH3+] 300391279 572158024 /nfs/dbraw/zinc/15/80/24/572158024.db2.gz VKXLXSQYGZHYTF-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@H](CC)C[NH3+] 300391278 572159946 /nfs/dbraw/zinc/15/99/46/572159946.db2.gz VKXLXSQYGZHYTF-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484845 572158617 /nfs/dbraw/zinc/15/86/17/572158617.db2.gz CYARITSGJOGNED-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 37484846 572158657 /nfs/dbraw/zinc/15/86/57/572158657.db2.gz CYARITSGJOGNED-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 37484847 572159894 /nfs/dbraw/zinc/15/98/94/572159894.db2.gz CYARITSGJOGNED-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484844 572160198 /nfs/dbraw/zinc/16/01/98/572160198.db2.gz CYARITSGJOGNED-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCCC[NH2+]C[C@H]1CC[N@H+](C)C1 37484538 572161655 /nfs/dbraw/zinc/16/16/55/572161655.db2.gz OPDHAIBJUAIQBM-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCCCC[C@H]1C 69945769 572162061 /nfs/dbraw/zinc/16/20/61/572162061.db2.gz MPMIDAGWYOFXHO-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCCCC[NH2+]C[C@@H]1CC[N@H+](CC)C1 37484268 572162048 /nfs/dbraw/zinc/16/20/48/572162048.db2.gz DRRVYSNWNOQKFC-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCCCC[NH2+]C[C@H]1CC[N@H+](CC)C1 37484269 572162108 /nfs/dbraw/zinc/16/21/08/572162108.db2.gz DRRVYSNWNOQKFC-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@H]1CCCCC[N@H+]1CCC[C@@H](C)[NH3+] 69944717 572162150 /nfs/dbraw/zinc/16/21/50/572162150.db2.gz CTVOKHZDVMHWSB-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[C@@H](C)CC[NH3+] 300392255 572162182 /nfs/dbraw/zinc/16/21/82/572162182.db2.gz WMPWKFXSXIIWOI-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](CC[NH3+])[N@@H+]1CCCCC[C@@H]1C 69944401 572162295 /nfs/dbraw/zinc/16/22/95/572162295.db2.gz WUSLOOWVPNKBDR-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCCCC[C@@H]1C 69945770 572162741 /nfs/dbraw/zinc/16/27/41/572162741.db2.gz MPMIDAGWYOFXHO-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1CCCCC[N@@H+]1CCCCC[NH3+] 69944442 572163176 /nfs/dbraw/zinc/16/31/76/572163176.db2.gz SCSKTWOQCRKHAJ-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP CCCCCC[NH2+]C[C@@H]1CC[N@H+](C)C1 37484537 572163236 /nfs/dbraw/zinc/16/32/36/572163236.db2.gz OPDHAIBJUAIQBM-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CCC1([NH3+])CCC1 300393331 572163261 /nfs/dbraw/zinc/16/32/61/572163261.db2.gz XVZTYZPSQAPPFC-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP C[NH2+]CCCC[N@@H+]1CCCCC[C@H]1C 69945373 572163661 /nfs/dbraw/zinc/16/36/61/572163661.db2.gz HEFGTMORAISSSJ-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)C(C)(C)[NH3+] 300392921 572163833 /nfs/dbraw/zinc/16/38/33/572163833.db2.gz XFYLQCGRXCQVND-ZJUUUORDSA-N 2 0 198.354 2.138 10 0 AEAERP CC[NH2+]CCC[N@@H+]1CCCCC[C@H]1C 69944789 572163951 /nfs/dbraw/zinc/16/39/51/572163951.db2.gz MKNPBMMNDHWWOO-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+]C[C@H](C)C[N@@H+]1CCCCC[C@H]1C 69945767 572163989 /nfs/dbraw/zinc/16/39/89/572163989.db2.gz LNIFYJBYSUAKNB-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCCCC[C@H]1C 69944764 572165033 /nfs/dbraw/zinc/16/50/33/572165033.db2.gz CXNLDZAVAMLMDP-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH+](CCC)[C@H]1CC[NH2+]C[C@H]1C 70045528 572165907 /nfs/dbraw/zinc/16/59/07/572165907.db2.gz XWVPGEZVYCKTOU-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)CCC[NH3+] 300394481 572166037 /nfs/dbraw/zinc/16/60/37/572166037.db2.gz ZALCWMWMRXGKMK-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CCCCCC[NH+]1CCC[NH2+]CCC1 70020283 572166255 /nfs/dbraw/zinc/16/62/55/572166255.db2.gz ZRRHUMAVZDHJTD-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)CCC[NH3+] 300394479 572166552 /nfs/dbraw/zinc/16/65/52/572166552.db2.gz ZALCWMWMRXGKMK-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP CCCCCC[N@@H+]1CC[NH2+]C[C@H](C)C1 70020262 572166819 /nfs/dbraw/zinc/16/68/19/572166819.db2.gz OTRJXZKUGPUIHT-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)CCC[NH3+] 300394480 572167053 /nfs/dbraw/zinc/16/70/53/572167053.db2.gz ZALCWMWMRXGKMK-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CC[NH2+]C[C@H]1C 70045526 572167084 /nfs/dbraw/zinc/16/70/84/572167084.db2.gz XWVPGEZVYCKTOU-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CC[NH2+]C[C@@H]1C 70045523 572167154 /nfs/dbraw/zinc/16/71/54/572167154.db2.gz XWVPGEZVYCKTOU-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC([NH3+])(CC)CC 300395063 572167191 /nfs/dbraw/zinc/16/71/91/572167191.db2.gz ZYVFKGGFUCMVGX-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+]CCCCCCC[NH3+] 300394872 572167643 /nfs/dbraw/zinc/16/76/43/572167643.db2.gz ZLKZOLNSKFBEJD-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP CCCCCC[N@@H+]1CC[NH2+]C[C@@H](C)C1 70020266 572167874 /nfs/dbraw/zinc/16/78/74/572167874.db2.gz OTRJXZKUGPUIHT-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H]1CC[NH2+]C[C@@H]1C 70045578 572168603 /nfs/dbraw/zinc/16/86/03/572168603.db2.gz PRBCRYVKJJTBKF-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](C(C)C)[C@H]1CC[NH2+]C[C@@H]1C 70045579 572168834 /nfs/dbraw/zinc/16/88/34/572168834.db2.gz PRBCRYVKJJTBKF-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@H+](CC)[C@@H]1CC[NH2+]C[C@@H]1C 70045597 572169408 /nfs/dbraw/zinc/16/94/08/572169408.db2.gz MWDXCQLSWIFBST-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](CCC(C)C)C1CC[NH2+]CC1 37653844 572169674 /nfs/dbraw/zinc/16/96/74/572169674.db2.gz NERFXMJEVXFUIF-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045600 572169792 /nfs/dbraw/zinc/16/97/92/572169792.db2.gz WCORUQPDRSRNKQ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70045601 572169847 /nfs/dbraw/zinc/16/98/47/572169847.db2.gz WCORUQPDRSRNKQ-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H]1CC[NH2+]C[C@@H]1C 70045599 572170181 /nfs/dbraw/zinc/17/01/81/572170181.db2.gz MWDXCQLSWIFBST-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@H+](CCC[NH3+])CC(C)C 43417408 572171370 /nfs/dbraw/zinc/17/13/70/572171370.db2.gz RRENRYFZQGJOLD-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@H](C)[N@@H+]1CC[C@](C)(C[NH2+]C)C1 300400297 572172655 /nfs/dbraw/zinc/17/26/55/572172655.db2.gz VSYTYRPPFKAMHV-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CC[C@](C)(C[NH2+]C)C1 300400298 572172848 /nfs/dbraw/zinc/17/28/48/572172848.db2.gz VSYTYRPPFKAMHV-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)(C)C[NH2+]C[C@@H]1CCCC[C@@H]1[NH3+] 82922332 572173315 /nfs/dbraw/zinc/17/33/15/572173315.db2.gz CYYIACXRDFJFPT-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)C[NH2+]C[C@H]1CCCC[C@@H]1[NH3+] 82922333 572173687 /nfs/dbraw/zinc/17/36/87/572173687.db2.gz CYYIACXRDFJFPT-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@H]1CCCC[C@@H]1[NH3+] 82922483 572173958 /nfs/dbraw/zinc/17/39/58/572173958.db2.gz MGQWZTDWKPNLOJ-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922447 572174018 /nfs/dbraw/zinc/17/40/18/572174018.db2.gz ZORYVYDBMOWSEZ-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[C@@H]1[NH3+] 82922480 572174268 /nfs/dbraw/zinc/17/42/68/572174268.db2.gz MGQWZTDWKPNLOJ-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)C[NH2+]C[C@@H]1CCCC[C@H]1[NH3+] 82922334 572174352 /nfs/dbraw/zinc/17/43/52/572174352.db2.gz CYYIACXRDFJFPT-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[C@@H]1[NH3+] 82922482 572174400 /nfs/dbraw/zinc/17/44/00/572174400.db2.gz MGQWZTDWKPNLOJ-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[C@@H]1[NH3+] 82922481 572174801 /nfs/dbraw/zinc/17/48/01/572174801.db2.gz MGQWZTDWKPNLOJ-SRVKXCTJSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922444 572175283 /nfs/dbraw/zinc/17/52/83/572175283.db2.gz ZORYVYDBMOWSEZ-WOPDTQHZSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922446 572175301 /nfs/dbraw/zinc/17/53/01/572175301.db2.gz ZORYVYDBMOWSEZ-UTUOFQBUSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 220186353 572175531 /nfs/dbraw/zinc/17/55/31/572175531.db2.gz ACUCTFVQLSCHDR-QJPTWQEYSA-N 2 0 196.338 2.010 10 0 AEAERP CCCCCC[C@@H](C)[NH2+]CCC[NH3+] 37713544 572178849 /nfs/dbraw/zinc/17/88/49/572178849.db2.gz VSZQKSGQIWCCKX-LLVKDONJSA-N 2 0 186.343 2.284 10 0 AEAERP CCCCC[N@@H+]1C[C@@H](C)CN[C@@H](C)C1 249789368 572178915 /nfs/dbraw/zinc/17/89/15/572178915.db2.gz JAUCMBZPHLVZOF-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+]1C[C@H](C)NC[C@@H](C)C1 249789365 572179310 /nfs/dbraw/zinc/17/93/10/572179310.db2.gz JAUCMBZPHLVZOF-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCCC[C@H](C)[NH2+]CCC[NH3+] 37713545 572179412 /nfs/dbraw/zinc/17/94/12/572179412.db2.gz VSZQKSGQIWCCKX-NSHDSACASA-N 2 0 186.343 2.284 10 0 AEAERP C[NH2+]C[C@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 70066197 572179486 /nfs/dbraw/zinc/17/94/86/572179486.db2.gz GXZXEHMHGNUPHN-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@H](C)C[NH+]1[C@@H](C)CCC[C@@H]1C 70066198 572179767 /nfs/dbraw/zinc/17/97/67/572179767.db2.gz GXZXEHMHGNUPHN-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@H](C)C[NH+]1[C@H](C)CCC[C@H]1C 70066199 572179901 /nfs/dbraw/zinc/17/99/01/572179901.db2.gz GXZXEHMHGNUPHN-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1CCC[NH2+][C@@H]([C@@H](C)CC)C1 82941188 572180767 /nfs/dbraw/zinc/18/07/67/572180767.db2.gz PEFKRKJFECZVPM-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@@H+]1CCC[NH2+][C@H]([C@@H](C)CC)C1 82941186 572181461 /nfs/dbraw/zinc/18/14/61/572181461.db2.gz PEFKRKJFECZVPM-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCN(C)[C@H](C[NH3+])c1ccco1 19266507 572183003 /nfs/dbraw/zinc/18/30/03/572183003.db2.gz MLVNLKIXNHXAPX-SNVBAGLBSA-N 2 0 196.294 2.011 10 0 AEAERP CCCCN(C)[C@@H](C[NH3+])c1ccco1 19266504 572183229 /nfs/dbraw/zinc/18/32/29/572183229.db2.gz MLVNLKIXNHXAPX-JTQLQIEISA-N 2 0 196.294 2.011 10 0 AEAERP CC(C)(C)CCC[NH2+][C@]1(C)CC[NH2+]C1 300969178 572188232 /nfs/dbraw/zinc/18/82/32/572188232.db2.gz ZORMNSRHRUYMGJ-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[N@@H+]1CCC[C@H](C[C@H](C)C[NH3+])C1 249860337 572188858 /nfs/dbraw/zinc/18/88/58/572188858.db2.gz ADKLABKOBDVCSD-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)CCC[NH2+][C@@]1(C)CC[NH2+]C1 300969180 572188719 /nfs/dbraw/zinc/18/87/19/572188719.db2.gz ZORMNSRHRUYMGJ-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[N@@H+]1CCC[C@@H](C[C@H](C)C[NH3+])C1 249860340 572189470 /nfs/dbraw/zinc/18/94/70/572189470.db2.gz ADKLABKOBDVCSD-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@H](C)C[NH2+]CCC[NH2+]C 300968674 572189636 /nfs/dbraw/zinc/18/96/36/572189636.db2.gz RONPCFGHVJDZHS-NSHDSACASA-N 2 0 186.343 2.012 10 0 AEAERP CCCCN1C[C@H](CC)C[C@@H]([NH2+]C)C1 249847904 572190032 /nfs/dbraw/zinc/19/00/32/572190032.db2.gz HSWSZKSEISFUSU-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@@H](C)C[NH2+]CCC[NH2+]C 300968180 572190235 /nfs/dbraw/zinc/19/02/35/572190235.db2.gz RONPCFGHVJDZHS-LLVKDONJSA-N 2 0 186.343 2.012 10 0 AEAERP CCCCN1C[C@@H](CC)C[C@@H]([NH2+]C)C1 249847901 572190253 /nfs/dbraw/zinc/19/02/53/572190253.db2.gz HSWSZKSEISFUSU-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@@H+]1Cc2ccc([C@@H](C)[NH3+])cc2C1 214613081 572190297 /nfs/dbraw/zinc/19/02/97/572190297.db2.gz OUKLUAGVRFOORH-SECBINFHSA-N 2 0 190.290 2.042 10 0 AEAERP CC[N@@H+]1Cc2ccc([C@H](C)[NH3+])cc2C1 214613132 572190901 /nfs/dbraw/zinc/19/09/01/572190901.db2.gz OUKLUAGVRFOORH-VIFPVBQESA-N 2 0 190.290 2.042 10 0 AEAERP C[NH+]1CCC([NH3+])(CCC(C)(C)C)CC1 687793032 572195476 /nfs/dbraw/zinc/19/54/76/572195476.db2.gz WPKDDSXADYQAES-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)CC1([NH3+])CC[NH+](C)CC1 687792929 572195779 /nfs/dbraw/zinc/19/57/79/572195779.db2.gz FZNXNXSFIHYNPQ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H](CC)CC(N)=[NH2+] 38718499 572198703 /nfs/dbraw/zinc/19/87/03/572198703.db2.gz KIPQWHLXCHWEST-JTQLQIEISA-N 2 0 199.342 2.211 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H](CC)CC(N)=[NH2+] 39134796 572201760 /nfs/dbraw/zinc/20/17/60/572201760.db2.gz CFQGAGDWBUCPJY-JTQLQIEISA-N 2 0 199.342 2.211 10 0 AEAERP CCC(CC)(CC)[NH+]1CCC([NH3+])CC1 83388175 572207552 /nfs/dbraw/zinc/20/75/52/572207552.db2.gz NWJWLGGEUWHSIZ-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CCC(CC)(CC)[NH2+]CC(C)(C)[NH3+] 83388642 572207729 /nfs/dbraw/zinc/20/77/29/572207729.db2.gz PAEVWYJHPDZRGJ-UHFFFAOYSA-N 2 0 186.343 2.282 10 0 AEAERP CCC(CC)(CC)[NH2+]CC[C@H](C)[NH3+] 83388620 572207986 /nfs/dbraw/zinc/20/79/86/572207986.db2.gz GENTWZQTLFMVRR-JTQLQIEISA-N 2 0 186.343 2.282 10 0 AEAERP CCC(CC)(CC)[NH2+]C[C@@H]1CCC[NH2+]1 83388675 572207999 /nfs/dbraw/zinc/20/79/99/572207999.db2.gz GIAFHHPFXKGNNC-NSHDSACASA-N 2 0 198.354 2.297 10 0 AEAERP CCC(CC)(CC)[N@@H+]1CC[C@H](C[NH3+])C1 83388192 572208312 /nfs/dbraw/zinc/20/83/12/572208312.db2.gz FWIBDYAZEAAHDV-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)(CC)[NH2+]C[C@@H](C)C[NH3+] 83388626 572208566 /nfs/dbraw/zinc/20/85/66/572208566.db2.gz CNOCDQBTSCNURP-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP CCC(CC)(CC)[NH2+]C[C@H](C)C[NH3+] 83388627 572208587 /nfs/dbraw/zinc/20/85/87/572208587.db2.gz CNOCDQBTSCNURP-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CC[N@@H+](C1CCCCC1)[C@@H](C)CC[NH3+] 41042500 572211895 /nfs/dbraw/zinc/21/18/95/572211895.db2.gz OSTIXTRYGWYUNX-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@@H+](C1CCCCC1)[C@H](C)CC[NH3+] 41042501 572212926 /nfs/dbraw/zinc/21/29/26/572212926.db2.gz OSTIXTRYGWYUNX-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@@H+]1CCC/C(=C\CC[NH3+])CC1 83424081 572216840 /nfs/dbraw/zinc/21/68/40/572216840.db2.gz ZVAFZZJMIWEMTR-LFYBBSHMSA-N 2 0 196.338 2.158 10 0 AEAERP C[NH2+][C@@H]1CC[C@H](C)C[C@H]1N(C)C(C)C 43813044 572216918 /nfs/dbraw/zinc/21/69/18/572216918.db2.gz WTUWFLJDQIDMOL-QJPTWQEYSA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1N(C)C(C)C 43813043 572217227 /nfs/dbraw/zinc/21/72/27/572217227.db2.gz WTUWFLJDQIDMOL-IJLUTSLNSA-N 2 0 198.354 2.103 10 0 AEAERP C[C@H]1C[C@@H](C[NH2+]CC(C)(C)C)CC[NH2+]1 235672223 572217952 /nfs/dbraw/zinc/21/79/52/572217952.db2.gz FDTHPQIVIWSORA-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CCCCC[C@]1(C)[C@H]([NH3+])CC[N@@H+]1CC 711973336 572220009 /nfs/dbraw/zinc/22/00/09/572220009.db2.gz BMCDYRCBJRVJOZ-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H]1CCC[C@H]([NH2+]CCC[NH3+])CC1 83435569 572220159 /nfs/dbraw/zinc/22/01/59/572220159.db2.gz USXBWIDHTNKGEN-RYUDHWBXSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H]1CCC[C@H]([NH2+]CCCC[NH3+])CC1 83427712 572220183 /nfs/dbraw/zinc/22/01/83/572220183.db2.gz SLHDQXWXXNFJCR-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H]1CCC[C@@H]([NH2+]CCC[NH3+])CC1 83435570 572220511 /nfs/dbraw/zinc/22/05/11/572220511.db2.gz USXBWIDHTNKGEN-VXGBXAGGSA-N 2 0 198.354 2.284 10 0 AEAERP CC1(C)CCC[C@@H]([NH2+]CCC[NH3+])CC1 83435573 572220561 /nfs/dbraw/zinc/22/05/61/572220561.db2.gz YUJZISKEPPZELP-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC1(C)CCC[C@H]([NH2+]CCC[NH3+])CC1 83435572 572220677 /nfs/dbraw/zinc/22/06/77/572220677.db2.gz YUJZISKEPPZELP-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1CCC[C@H]([NH2+]CCCC[NH3+])CC1 83427713 572221804 /nfs/dbraw/zinc/22/18/04/572221804.db2.gz SLHDQXWXXNFJCR-RYUDHWBXSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H]1CCC[C@@H]([NH2+]CCC[NH3+])CC1 83435571 572221816 /nfs/dbraw/zinc/22/18/16/572221816.db2.gz USXBWIDHTNKGEN-NWDGAFQWSA-N 2 0 198.354 2.284 10 0 AEAERP CCC[NH2+][C@@H]1CCC[C@@H]1N(C)CCC 43886282 572221855 /nfs/dbraw/zinc/22/18/55/572221855.db2.gz JOFHCJJZDIPKKX-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCCN(CC)[C@@H](C)[C@@H](C)[NH2+]CC 43884706 572221883 /nfs/dbraw/zinc/22/18/83/572221883.db2.gz YLPGJNYBYPCYII-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH3+])CC1 83427714 572222113 /nfs/dbraw/zinc/22/21/13/572222113.db2.gz SLHDQXWXXNFJCR-VXGBXAGGSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H]1CCC[C@H]([NH2+]CCC[NH3+])CC1 83435568 572222279 /nfs/dbraw/zinc/22/22/79/572222279.db2.gz USXBWIDHTNKGEN-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1CCC[C@@H]([NH2+]CCCC[NH3+])CC1 83427715 572222376 /nfs/dbraw/zinc/22/23/76/572222376.db2.gz SLHDQXWXXNFJCR-NWDGAFQWSA-N 2 0 198.354 2.284 10 0 AEAERP C/C=C/C[N@@H+]1CCC[NH2+][C@](C)(CC)C1 234112693 572222785 /nfs/dbraw/zinc/22/27/85/572222785.db2.gz ULOYCWWADTYYCL-FVOPLDGLSA-N 2 0 196.338 2.027 10 0 AEAERP CCC(CC)[N@H+](C)CC[C@@H](C)[NH2+]C 43895951 572223767 /nfs/dbraw/zinc/22/37/67/572223767.db2.gz DUYZXBBWBDOBOH-SNVBAGLBSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@H](C)CC[N@@H+]1CCC[C@@H]1C 43903918 572225475 /nfs/dbraw/zinc/22/54/75/572225475.db2.gz KYGAJJTYHMBRBI-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C 36907478 572227439 /nfs/dbraw/zinc/22/74/39/572227439.db2.gz CBWDDOWKBMBAGK-FIQHERPVSA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+][C@H](C)CC[N@H+](CC1CC1)C(C)C 43974493 572230502 /nfs/dbraw/zinc/23/05/02/572230502.db2.gz OKDNBUZRJSCMSF-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C1([NH2+]CC[C@H](C)CC[NH3+])CC1 393368040 572230326 /nfs/dbraw/zinc/23/03/26/572230326.db2.gz DYTLFDPTODBDSN-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)[NH2+]C[C@H]1CCCCCC[NH2+]1 300992760 572230547 /nfs/dbraw/zinc/23/05/47/572230547.db2.gz JNMHZUMPRWMEME-NWDGAFQWSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)C1([NH2+]CC[C@@H](C)CC[NH3+])CC1 393368041 572231090 /nfs/dbraw/zinc/23/10/90/572231090.db2.gz DYTLFDPTODBDSN-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@@H]1CCCCCC[NH2+]1 300992757 572231296 /nfs/dbraw/zinc/23/12/96/572231296.db2.gz JNMHZUMPRWMEME-NEPJUHHUSA-N 2 0 198.354 2.297 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@H]1CCCCCC[NH2+]1 300992764 572232265 /nfs/dbraw/zinc/23/22/65/572232265.db2.gz JNMHZUMPRWMEME-VXGBXAGGSA-N 2 0 198.354 2.297 10 0 AEAERP C[N@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] 37081085 572235875 /nfs/dbraw/zinc/23/58/75/572235875.db2.gz JAKDYZYUGORZKZ-NWDGAFQWSA-N 2 0 196.338 2.131 10 0 AEAERP C[N@H+](C1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] 37081086 572234638 /nfs/dbraw/zinc/23/46/38/572234638.db2.gz JAKDYZYUGORZKZ-RYUDHWBXSA-N 2 0 196.338 2.131 10 0 AEAERP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1CCC[C@@H](C)C1 42491956 572235707 /nfs/dbraw/zinc/23/57/07/572235707.db2.gz RXMKGTOMUACXBA-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](CC[NH3+])[N@H+](C)[C@H]1CCC[C@@H](C)C1 42492003 572236140 /nfs/dbraw/zinc/23/61/40/572236140.db2.gz CRRLZXIETKCDHF-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[NH2+]CCCC[N@@H+]1CCC[C@H]1C 37911230 572236706 /nfs/dbraw/zinc/23/67/06/572236706.db2.gz PTTANHYVZHQKHT-GFCCVEGCSA-N 2 0 198.354 2.249 10 0 AEAERP CCCCC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 70586273 572236707 /nfs/dbraw/zinc/23/67/07/572236707.db2.gz GJECVHCMYNSINP-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+][C@H](CC)[C@H](C)[N@@H+]1CC[C@H](C)C1 43908660 572237195 /nfs/dbraw/zinc/23/71/95/572237195.db2.gz UQOIVKJMMFEZOE-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1C 37911231 572237883 /nfs/dbraw/zinc/23/78/83/572237883.db2.gz PTTANHYVZHQKHT-LBPRGKRZSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CCC[NH2+]C(C)(C)C 37911228 572238909 /nfs/dbraw/zinc/23/89/09/572238909.db2.gz FOPHEAIVBHVJBW-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+]1CC[C@H](C)C1 43908653 572239076 /nfs/dbraw/zinc/23/90/76/572239076.db2.gz UQOIVKJMMFEZOE-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1CC 37914211 572239478 /nfs/dbraw/zinc/23/94/78/572239478.db2.gz HRJLMOJTTCAZBA-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)C[C@H](C)C[NH2+][C@]1(C)CC[NH2+]C1 300998787 572240290 /nfs/dbraw/zinc/24/02/90/572240290.db2.gz WUGCFDHGLURKGA-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@@H](C)C[NH2+][C@]1(C)CC[NH2+]C1 300998793 572240392 /nfs/dbraw/zinc/24/03/92/572240392.db2.gz WUGCFDHGLURKGA-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+][C@@H](C[N@@H+]1CCC[C@H]1C)C(C)(C)C 43902424 572240520 /nfs/dbraw/zinc/24/05/20/572240520.db2.gz LTPGHUCWIAGKKC-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+][C@H](C)[C@H](C)N1CC[C@H](C)C1 43909462 572240800 /nfs/dbraw/zinc/24/08/00/572240800.db2.gz JJWFLICLQLKIAI-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H](C)[C@H](C)[N@@H+]1CCC[C@H]1CC 43904732 572240845 /nfs/dbraw/zinc/24/08/45/572240845.db2.gz AYMQFIBHMKJTNW-GRYCIOLGSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H](C)CC[N@@H+]1CCC[C@H]1CC 43904703 572240892 /nfs/dbraw/zinc/24/08/92/572240892.db2.gz TXIKZMVFNODJNV-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)CC[N@@H+]1CCC[C@H](C)C1 43811899 572241110 /nfs/dbraw/zinc/24/11/10/572241110.db2.gz QEYVLERFFGHQRR-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H](C)CC[N@@H+]1CCC[C@H](C)C1 43811900 572241371 /nfs/dbraw/zinc/24/13/71/572241371.db2.gz QEYVLERFFGHQRR-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@H](C)[C@@H](C)N1CC[C@H](C)C1 43909454 572241779 /nfs/dbraw/zinc/24/17/79/572241779.db2.gz JJWFLICLQLKIAI-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C)CC[NH+]1[C@H](C)CCC[C@H]1C 43815587 572241944 /nfs/dbraw/zinc/24/19/44/572241944.db2.gz MQTNBBASISDRDG-IJLUTSLNSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H](C)CC[N@H+](C)[C@H](C)CC 43887613 572242003 /nfs/dbraw/zinc/24/20/03/572242003.db2.gz QNFJVMUOHDXNMQ-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP C[C@H](CC[NH3+])CC[N@@H+]1CCC(C)(C)C1 393371342 572242389 /nfs/dbraw/zinc/24/23/89/572242389.db2.gz HSYIEQUFUWUUCI-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](CC[NH3+])CC[N@@H+]1CCC(C)(C)C1 393371343 572242797 /nfs/dbraw/zinc/24/27/97/572242797.db2.gz HSYIEQUFUWUUCI-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](CC[NH3+])CC[N@@H+]1CCC[C@@H](C)C1 393370284 572242833 /nfs/dbraw/zinc/24/28/33/572242833.db2.gz GUUSMPHHVFXORZ-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](CC[NH3+])CC[N@@H+]1CCC[C@H](C)C1 393370285 572242954 /nfs/dbraw/zinc/24/29/54/572242954.db2.gz GUUSMPHHVFXORZ-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C(C)C)[N@@H+]1CCC[C@H](C[NH3+])C1 44527555 572242959 /nfs/dbraw/zinc/24/29/59/572242959.db2.gz KDEBWRBFQNLOCD-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 44527590 572243076 /nfs/dbraw/zinc/24/30/76/572243076.db2.gz DDNWPFPHJDCIIY-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CC[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C 44412918 572243177 /nfs/dbraw/zinc/24/31/77/572243177.db2.gz AWBVDOAQSAWIPA-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CC[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C 44412921 572243233 /nfs/dbraw/zinc/24/32/33/572243233.db2.gz AWBVDOAQSAWIPA-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C(C)C)[N@@H+]1CCC[C@H](C[NH3+])C1 44527554 572243336 /nfs/dbraw/zinc/24/33/36/572243336.db2.gz KDEBWRBFQNLOCD-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 44527591 572243597 /nfs/dbraw/zinc/24/35/97/572243597.db2.gz DDNWPFPHJDCIIY-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@H+](CCC[NH2+]C(C)(C)C)CC1CC1 37925753 572244000 /nfs/dbraw/zinc/24/40/00/572244000.db2.gz RMHCYDONAZWCII-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H](CC[NH3+])CC[N@@H+]1CCC[C@@H](C)C1 393370288 572244210 /nfs/dbraw/zinc/24/42/10/572244210.db2.gz GUUSMPHHVFXORZ-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC[NH2+][C@H](C)CCC[N@@H+]1CC[C@H](C)C1 45601065 572244404 /nfs/dbraw/zinc/24/44/04/572244404.db2.gz OQSLJVJCRFRUGU-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CCC[N@@H+]1CCCC[C@H]1C 45598642 572245483 /nfs/dbraw/zinc/24/54/83/572245483.db2.gz VFSBXZPRDXOKIC-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1CCC[N@@H+](CCCC[C@@H](C)[NH3+])C1 45598709 572244547 /nfs/dbraw/zinc/24/45/47/572244547.db2.gz OHDMHRRZHQYLFL-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CCC[N@@H+]1CCC[C@H](C)C1 45598719 572245499 /nfs/dbraw/zinc/24/54/99/572245499.db2.gz VIEJMBSATSXPSL-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H](C)CCC[N@@H+]1CC[C@H](C)C1 45601063 572244753 /nfs/dbraw/zinc/24/47/53/572244753.db2.gz OQSLJVJCRFRUGU-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@H+](C(C)C)[C@H](C)C1 49694203 572249131 /nfs/dbraw/zinc/24/91/31/572249131.db2.gz NOYHVDJLELUFCJ-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@H](C)CCCC[N@@H+]1CC[C@H](C)C1 45601048 572245354 /nfs/dbraw/zinc/24/53/54/572245354.db2.gz NJAZQPBMMRFAJG-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CCCC[N@@H+]1CCC[C@H]1C 45600799 572245444 /nfs/dbraw/zinc/24/54/44/572245444.db2.gz AUNDKSNORTXAHJ-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]([NH3+])CCCC[N@@H+]1CCCC[C@H]1C 45598632 572245900 /nfs/dbraw/zinc/24/59/00/572245900.db2.gz GGXFKLACVLEKBO-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CC[C@@H]1CCCC[NH2+]1)C1CC1 47920696 572246518 /nfs/dbraw/zinc/24/65/18/572246518.db2.gz SBEGJSRRMNAGIZ-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[NH2+]C[C@@H](C)N(CC)CC 47888323 572246577 /nfs/dbraw/zinc/24/65/77/572246577.db2.gz YKVRYSDRYGIZIW-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC(C)CC[NH2+]C[C@H](C)N1CCCC1 47889527 572247179 /nfs/dbraw/zinc/24/71/79/572247179.db2.gz HTRVJASWHGXIFV-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[NH2+]C[C@H](C)N(CC)CC 47888326 572247444 /nfs/dbraw/zinc/24/74/44/572247444.db2.gz YKVRYSDRYGIZIW-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC(C)CC[NH2+]C[C@@H](C)N1CCCC1 47889524 572247531 /nfs/dbraw/zinc/24/75/31/572247531.db2.gz HTRVJASWHGXIFV-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CC[C@H]1CCCC[NH2+]1)C1CC1 47920698 572247881 /nfs/dbraw/zinc/24/78/81/572247881.db2.gz SBEGJSRRMNAGIZ-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[N@@H+]1CC[C@H]([NH2+]CC)C[C@@H]1C 49707363 572249101 /nfs/dbraw/zinc/24/91/01/572249101.db2.gz ZTPBQGUYVIFFAD-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49708101 572249204 /nfs/dbraw/zinc/24/92/04/572249204.db2.gz QIWYRGXAYABOGZ-SRVKXCTJSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 49707391 572249406 /nfs/dbraw/zinc/24/94/06/572249406.db2.gz RDOYDHRQLMWFDS-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 49707820 572249430 /nfs/dbraw/zinc/24/94/30/572249430.db2.gz RXQVKSCCDRXXTM-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@H+](CCC)C[C@@H]1C 49709115 572249436 /nfs/dbraw/zinc/24/94/36/572249436.db2.gz KYMWMZXZZWNEFO-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]CC)[C@H](C)C1 49707354 572249475 /nfs/dbraw/zinc/24/94/75/572249475.db2.gz NUOHWQTVIBGGOY-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49708088 572249677 /nfs/dbraw/zinc/24/96/77/572249677.db2.gz ZESBHJLUIUIZLN-WOPDTQHZSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 49707388 572249700 /nfs/dbraw/zinc/24/97/00/572249700.db2.gz RDOYDHRQLMWFDS-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](C)C1 49709002 572249820 /nfs/dbraw/zinc/24/98/20/572249820.db2.gz CHSOHIRYJOICQH-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CCC[C@H](C[NH3+])C1 49954063 572249933 /nfs/dbraw/zinc/24/99/33/572249933.db2.gz LRMYBCKQVNZNPP-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@@H+]1CC[C@H]([NH2+]CC)[C@H](C)C1 49707353 572249961 /nfs/dbraw/zinc/24/99/61/572249961.db2.gz NUOHWQTVIBGGOY-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CCC[C@H](C[NH3+])C1 49954064 572250028 /nfs/dbraw/zinc/25/00/28/572250028.db2.gz LRMYBCKQVNZNPP-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](C)C1 49709003 572250124 /nfs/dbraw/zinc/25/01/24/572250124.db2.gz CHSOHIRYJOICQH-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP CCC(CC)[N@@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 49709081 572250229 /nfs/dbraw/zinc/25/02/29/572250229.db2.gz WDDBUWCENWGNHS-ZYHUDNBSSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCCC[C@H](C)[N@@H+]1CC[C@H](N)C1 49216668 572250509 /nfs/dbraw/zinc/25/05/09/572250509.db2.gz SVFKOBNCHMXYSE-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49709079 572250517 /nfs/dbraw/zinc/25/05/17/572250517.db2.gz WDDBUWCENWGNHS-PWSUYJOCSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49707819 572250542 /nfs/dbraw/zinc/25/05/42/572250542.db2.gz RXQVKSCCDRXXTM-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CC[NH3+])C[NH2+]C1CCCCCC1 49811918 572251115 /nfs/dbraw/zinc/25/11/15/572251115.db2.gz JYRHDPIFZVWZHS-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 50405004 572251279 /nfs/dbraw/zinc/25/12/79/572251279.db2.gz HKIUKGICDGGMAZ-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@@H](CC[NH+](C)C)C1=CCCCC1 234399641 572251749 /nfs/dbraw/zinc/25/17/49/572251749.db2.gz HTALZHFJIBSWJA-LBPRGKRZSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@H](CC[NH3+])C[NH2+]C1CCCCCC1 49811919 572251844 /nfs/dbraw/zinc/25/18/44/572251844.db2.gz JYRHDPIFZVWZHS-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 50425105 572251923 /nfs/dbraw/zinc/25/19/23/572251923.db2.gz YXNRMQGWNLIHNN-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 50405026 572251992 /nfs/dbraw/zinc/25/19/92/572251992.db2.gz CPAYSUNVKYHLQF-SRVKXCTJSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@H](C[NH3+])CC[NH2+]C1CCCCCC1 49811916 572252093 /nfs/dbraw/zinc/25/20/93/572252093.db2.gz JUPHTCNMTLECRE-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H](C[NH3+])CC[NH2+]C1CCCCCC1 49811917 572252343 /nfs/dbraw/zinc/25/23/43/572252343.db2.gz JUPHTCNMTLECRE-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CCC1([NH3+])CCC1 86853890 572328354 /nfs/dbraw/zinc/32/83/54/572328354.db2.gz PUPFEPIMJDQLKH-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+]C1(CC[NH2+]C2CCCCC2)CCC1 86853895 572326400 /nfs/dbraw/zinc/32/64/00/572326400.db2.gz ROXGWWJVJXBJNS-UHFFFAOYSA-N 2 0 196.338 2.180 10 0 AEAERP CCCCC[N@H+](C)CCC1([NH3+])CCC1 86853848 572326434 /nfs/dbraw/zinc/32/64/34/572326434.db2.gz HXKSSVAXKNZWHZ-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CCC1([NH3+])CCC1 86853846 572326466 /nfs/dbraw/zinc/32/64/66/572326466.db2.gz HIBAXHSEKOEUAH-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@H+](CCC1([NH3+])CCC1)C(C)C 86853839 572326580 /nfs/dbraw/zinc/32/65/80/572326580.db2.gz ADXPUSWIEXOJQQ-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](C)[N@H+](CC)CCC1([NH3+])CCC1 86853847 572326776 /nfs/dbraw/zinc/32/67/76/572326776.db2.gz HIBAXHSEKOEUAH-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@H](C)[NH2+]CCC1([NH3+])CCC1 86854033 572326977 /nfs/dbraw/zinc/32/69/77/572326977.db2.gz XJKMXJGTIBGBHH-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CCC1([NH3+])CCC1 86853891 572327168 /nfs/dbraw/zinc/32/71/68/572327168.db2.gz PUPFEPIMJDQLKH-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CCCC[C@@H](C)[NH2+]CCC1([NH3+])CCC1 86854032 572327575 /nfs/dbraw/zinc/32/75/75/572327575.db2.gz XJKMXJGTIBGBHH-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CCC[N@H+](CCC1([NH3+])CCC1)C1CC1 86853840 572327648 /nfs/dbraw/zinc/32/76/48/572327648.db2.gz LYBRWFQQOJMJJB-UHFFFAOYSA-N 2 0 196.338 2.132 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CCC1([NH3+])CCC1 86853870 572327787 /nfs/dbraw/zinc/32/77/87/572327787.db2.gz ILIFLVITBSVFKP-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](CCC1([NH3+])CCC1)CC(C)C 86853845 572327847 /nfs/dbraw/zinc/32/78/47/572327847.db2.gz LRSZYCAVMIDLSF-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CCC1([NH3+])CCC1 86853871 572328085 /nfs/dbraw/zinc/32/80/85/572328085.db2.gz ILIFLVITBSVFKP-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CCC[NH+](CCC)CCC1([NH3+])CCC1 86853807 572328413 /nfs/dbraw/zinc/32/84/13/572328413.db2.gz OZLWYPLDECALIA-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CCC(CC)[N@H+](C)CCC1([NH3+])CCC1 86853872 572328428 /nfs/dbraw/zinc/32/84/28/572328428.db2.gz GGOWYROOKDMLBO-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)CC[N@H+](C)CCC1([NH3+])CCC1 86853930 572328479 /nfs/dbraw/zinc/32/84/79/572328479.db2.gz VVKAUEWWRNVJSA-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(C)(C)[N@H+](C)CCC1([NH3+])CCC1 86854097 572329490 /nfs/dbraw/zinc/32/94/90/572329490.db2.gz BIQSRPFICFDVSM-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CC1([NH2+]CCC2([NH3+])CCC2)CCCC1 86854125 572329607 /nfs/dbraw/zinc/32/96/07/572329607.db2.gz QBRFVRQBKVEIMJ-UHFFFAOYSA-N 2 0 196.338 2.180 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCC(C)(C)[C@H]1[NH3+] 86871058 572333091 /nfs/dbraw/zinc/33/30/91/572333091.db2.gz QMGLUTPBNBUDCI-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C=C/C=C\CC[C@@H]([NH3+])C[NH+](CC)CC 713677049 572331284 /nfs/dbraw/zinc/33/12/84/572331284.db2.gz GAQHOQRGPVJXKD-QDZRJHCZSA-N 2 0 196.338 2.178 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86871053 572333101 /nfs/dbraw/zinc/33/31/01/572333101.db2.gz QMGLUTPBNBUDCI-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C)C[NH2+]CCC1([NH3+])CCC1 86854121 572331777 /nfs/dbraw/zinc/33/17/77/572331777.db2.gz USGNJCAMGUTKSL-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[N@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86871289 572333159 /nfs/dbraw/zinc/33/31/59/572333159.db2.gz QGVZOZNIRYBSCI-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86871055 572333213 /nfs/dbraw/zinc/33/32/13/572333213.db2.gz QMGLUTPBNBUDCI-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@@H](C)C[NH2+]CCC1([NH3+])CCC1 86854120 572332327 /nfs/dbraw/zinc/33/23/27/572332327.db2.gz USGNJCAMGUTKSL-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CCC[N@H+](C)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86871291 572333049 /nfs/dbraw/zinc/33/30/49/572333049.db2.gz QGVZOZNIRYBSCI-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CC[NH+](C2CCC2)CC[C@H](C)[NH2+]1 52213819 572335970 /nfs/dbraw/zinc/33/59/70/572335970.db2.gz ATVXJOIVOWPZRI-QWRGUYRKSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@H]1CC[N@@H+](C2CCC2)CCC[NH2+]1 52213787 572336109 /nfs/dbraw/zinc/33/61/09/572336109.db2.gz IGQPIQQJUZDQII-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP C=C/C=C\CC[C@H](CC[NH+](C)C)[NH2+]C 713680997 572336749 /nfs/dbraw/zinc/33/67/49/572336749.db2.gz RBGXTNCBGQSIPH-ZHRWSRJISA-N 2 0 196.338 2.049 10 0 AEAERP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)N(C)C1 222676746 572336819 /nfs/dbraw/zinc/33/68/19/572336819.db2.gz XGXBEYKLQUQINJ-DDHJBXDOSA-N 2 0 198.354 2.103 10 0 AEAERP C/C=C\C[N@@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 393676475 572337638 /nfs/dbraw/zinc/33/76/38/572337638.db2.gz ACCRSOQABHZRTF-GZTOBOFZSA-N 2 0 196.338 2.025 10 0 AEAERP C=C/C=C/CC[C@@H](CC[NH+](C)C)[NH2+]C 713680994 572337787 /nfs/dbraw/zinc/33/77/87/572337787.db2.gz RBGXTNCBGQSIPH-SYTKJHMZSA-N 2 0 196.338 2.049 10 0 AEAERP C=C/C=C/CC[C@H](CC[NH+](C)C)[NH2+]C 713680988 572337852 /nfs/dbraw/zinc/33/78/52/572337852.db2.gz RBGXTNCBGQSIPH-NNNHXZLVSA-N 2 0 196.338 2.049 10 0 AEAERP C[C@@H]1CC[NH+](C2CCC2)CC[C@@H](C)[NH2+]1 52213822 572338020 /nfs/dbraw/zinc/33/80/20/572338020.db2.gz ATVXJOIVOWPZRI-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP C=C/C=C\CC[C@@H](CC[NH+](C)C)[NH2+]C 713680985 572338853 /nfs/dbraw/zinc/33/88/53/572338853.db2.gz RBGXTNCBGQSIPH-DGMVEKRQSA-N 2 0 196.338 2.049 10 0 AEAERP CCC[C@]1(CCC[NH3+])CCC[N@H+](C)C1 77296461 572339276 /nfs/dbraw/zinc/33/92/76/572339276.db2.gz BRBWURISHWREJB-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[C@@H](CC[NH3+])C1CC[NH+](C)CC1 77296488 572339749 /nfs/dbraw/zinc/33/97/49/572339749.db2.gz QBNSZAZNYUNHBU-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@@H+]1CCCC[C@H]1C[C@@H]([NH3+])CC 238215493 572340372 /nfs/dbraw/zinc/34/03/72/572340372.db2.gz LZYXAJAACKTITQ-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC1(C[NH3+])CC[NH+](C(C)C)CC1 77296455 572340415 /nfs/dbraw/zinc/34/04/15/572340415.db2.gz FDOLPBQLXGQKNI-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@@]1(CC[NH3+])CCC[N@H+](C)C1 77296453 572340477 /nfs/dbraw/zinc/34/04/77/572340477.db2.gz QDQSBASIGFORLO-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[C@]1(CCC[NH3+])CCC[N@H+](C)C1 77296459 572340828 /nfs/dbraw/zinc/34/08/28/572340828.db2.gz KIOGJNAAXHFRJQ-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)C[C@]1(CC[NH3+])CCC[N@H+](C)C1 77296452 572341245 /nfs/dbraw/zinc/34/12/45/572341245.db2.gz QDQSBASIGFORLO-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCC1CC[NH+](C[C@@H](CC)C[NH3+])CC1 83607623 572343293 /nfs/dbraw/zinc/34/32/93/572343293.db2.gz RWTHEPHURMWZSJ-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@]1(CCC[NH3+])CCC[N@H+](C)C1 77296462 572341639 /nfs/dbraw/zinc/34/16/39/572341639.db2.gz BRBWURISHWREJB-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[N@@H+]1CCCC[C@@H]1C[C@@H]([NH3+])CC 238215380 572341705 /nfs/dbraw/zinc/34/17/05/572341705.db2.gz LZYXAJAACKTITQ-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[C@@]1(CCC[NH3+])CCC[N@H+](C)C1 77296460 572341742 /nfs/dbraw/zinc/34/17/42/572341742.db2.gz KIOGJNAAXHFRJQ-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](CC[NH3+])C1CC[NH+](C)CC1 77296489 572341764 /nfs/dbraw/zinc/34/17/64/572341764.db2.gz QBNSZAZNYUNHBU-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](CC)[C@@H](C)CC 83606849 572344032 /nfs/dbraw/zinc/34/40/32/572344032.db2.gz NNQQYUTUAQBMFM-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])CC)C1 238216095 572342941 /nfs/dbraw/zinc/34/29/41/572342941.db2.gz OLTNNFNEGQIBRT-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@H+](CC)CCC 83606764 572343023 /nfs/dbraw/zinc/34/30/23/572343023.db2.gz SVXRPLBDEMODNB-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@@H](C[NH3+])C[NH+]1CCC(C)CC1 83606250 572343102 /nfs/dbraw/zinc/34/31/02/572343102.db2.gz CTJXTFBAAKHQFA-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[NH2+]C1(C)CCCCC1 83608574 572343166 /nfs/dbraw/zinc/34/31/66/572343166.db2.gz XRKUSCGMCIYDFV-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@H](C[NH3+])C[N@@H+]1CCCC[C@@H]1C 83606299 572343184 /nfs/dbraw/zinc/34/31/84/572343184.db2.gz WJXNWLPEENLTFU-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@H](C[NH3+])C[N@H+](C)C1CCCC1 83606762 572343204 /nfs/dbraw/zinc/34/32/04/572343204.db2.gz LAJWKIBJBRXHQG-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H](C[NH3+])C[NH2+]C1CCCCC1 83607268 572343215 /nfs/dbraw/zinc/34/32/15/572343215.db2.gz RMSCHAOWDVAVEZ-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](CC1CC1)C(C)C 83608283 572343263 /nfs/dbraw/zinc/34/32/63/572343263.db2.gz JKOQUFCBAMNXMV-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@@H+]1CCC[C@H](C)C1 83606350 572343456 /nfs/dbraw/zinc/34/34/56/572343456.db2.gz YMQRWFIPNNSXIJ-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@H+](CC)C[C@H](CC)C[NH3+] 83606449 572343488 /nfs/dbraw/zinc/34/34/88/572343488.db2.gz OTUKPQRLRKIEFL-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@H](C[NH3+])C[N@H+](CC)C1CCCC1 83606950 572343511 /nfs/dbraw/zinc/34/35/11/572343511.db2.gz GHVXDKMJEWCKTC-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](C[C@H](CC)C[NH3+])C1CC1 83607851 572344059 /nfs/dbraw/zinc/34/40/59/572344059.db2.gz NGJTYJREESBEDP-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C[NH3+])C[NH+]1[C@@H](C)CCC[C@@H]1C 83606601 572343613 /nfs/dbraw/zinc/34/36/13/572343613.db2.gz ACXCCXLNMJTRTL-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C[NH3+])C[N@H+](C)[C@@H](C)C1CC1 83607030 572343667 /nfs/dbraw/zinc/34/36/67/572343667.db2.gz UNUQPPJTSZEGPR-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C[NH3+])C[NH+]1CCC(C)CC1 83606252 572343758 /nfs/dbraw/zinc/34/37/58/572343758.db2.gz CTJXTFBAAKHQFA-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@H+](C)C[C@@H](C[NH3+])CCC 83606429 572343911 /nfs/dbraw/zinc/34/39/11/572343911.db2.gz QMBLMPYGTAIZII-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[N@H+](C[C@@H](C[NH3+])C(C)C)C1CC1 83606795 572343943 /nfs/dbraw/zinc/34/39/43/572343943.db2.gz NLNJHOAREDRPAO-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1CCCC[C@H]1CC 83606743 572343929 /nfs/dbraw/zinc/34/39/29/572343929.db2.gz QUEQXCCOOYCAHO-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](C)C1CCCCC1 83606462 572344083 /nfs/dbraw/zinc/34/40/83/572344083.db2.gz JWOLDKHDTYDVFB-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C[NH3+])C[N@@H+]1CCC[C@H](C)C1 83606352 572344103 /nfs/dbraw/zinc/34/41/03/572344103.db2.gz YMQRWFIPNNSXIJ-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCC(CC)[N@@H+](C)C[C@@H](CC)C[NH3+] 83607055 572344121 /nfs/dbraw/zinc/34/41/21/572344121.db2.gz SJFSYRWRRKVTAF-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](CC(C)C)C1CC1 83608240 572344139 /nfs/dbraw/zinc/34/41/39/572344139.db2.gz CUTKIGAUHLBIJR-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1CCC[C@H](CC)C1 83607091 572344161 /nfs/dbraw/zinc/34/41/61/572344161.db2.gz HMGCVRAQDOECNM-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@H+](CC)C[C@@H](CC)C[NH3+] 83606447 572344317 /nfs/dbraw/zinc/34/43/17/572344317.db2.gz OTUKPQRLRKIEFL-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1[C@@H](C)CCC[C@H]1C 83606595 572346150 /nfs/dbraw/zinc/34/61/50/572346150.db2.gz ACXCCXLNMJTRTL-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@@H](C[NH3+])C[NH2+]C1CCCCC1 83607275 572344443 /nfs/dbraw/zinc/34/44/43/572344443.db2.gz VTHLWSGBGRYNCE-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@@H](CC)C[NH3+] 83607066 572344454 /nfs/dbraw/zinc/34/44/54/572344454.db2.gz OOVCJHMVHUDIBC-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](C[NH3+])C[NH2+]C1CCCCCC1 83607248 572344534 /nfs/dbraw/zinc/34/45/34/572344534.db2.gz DOICTXOVKNECDE-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H](C[NH3+])C[NH+]1CCCCCCC1 83606666 572344540 /nfs/dbraw/zinc/34/45/40/572344540.db2.gz SBMJAPUXBQWTDX-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[C@H](C[NH3+])C[N@H+](C)[C@@H](C)CC 83606824 572344594 /nfs/dbraw/zinc/34/45/94/572344594.db2.gz RJROUGIPFQSKJB-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[NH+](CCC)C[C@H](CC)C[NH3+] 83606404 572344647 /nfs/dbraw/zinc/34/46/47/572344647.db2.gz GNKBLQHPNIDBTR-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[NH2+]C1CCCCCC1 83607247 572344681 /nfs/dbraw/zinc/34/46/81/572344681.db2.gz DOICTXOVKNECDE-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])CC)C1 238215739 572344824 /nfs/dbraw/zinc/34/48/24/572344824.db2.gz OLTNNFNEGQIBRT-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](C[C@@H](CC)C[NH3+])C1CC1 83607849 572344913 /nfs/dbraw/zinc/34/49/13/572344913.db2.gz NGJTYJREESBEDP-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@H+](C)C1CCCC1 83606751 572344971 /nfs/dbraw/zinc/34/49/71/572344971.db2.gz UNAKTMUAJVQBTE-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C[NH3+])C[NH+]1CCCCCCC1 83606669 572345150 /nfs/dbraw/zinc/34/51/50/572345150.db2.gz SBMJAPUXBQWTDX-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CC[C@H](C[NH3+])C[N@H+](C)C1CCCCC1 83606464 572345191 /nfs/dbraw/zinc/34/51/91/572345191.db2.gz JWOLDKHDTYDVFB-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C[NH3+])C[N@H+](CC(C)C)C1CC1 83608242 572345251 /nfs/dbraw/zinc/34/52/51/572345251.db2.gz CUTKIGAUHLBIJR-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C[NH3+])C[N@H+](CC1CC1)C(C)C 83608285 572345268 /nfs/dbraw/zinc/34/52/68/572345268.db2.gz JKOQUFCBAMNXMV-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)C1CC1 83607029 572345320 /nfs/dbraw/zinc/34/53/20/572345320.db2.gz UNUQPPJTSZEGPR-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C[NH3+])C[N@@H+]1CCCC[C@@H]1C 83606307 572345383 /nfs/dbraw/zinc/34/53/83/572345383.db2.gz BNTPMNZGVNIERG-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C[NH3+])C[N@H+](CCC)C1CC1 83606790 572345361 /nfs/dbraw/zinc/34/53/61/572345361.db2.gz CBHQSNNMTQTXGW-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)C[C@@H](CC)C[NH3+] 83606402 572345415 /nfs/dbraw/zinc/34/54/15/572345415.db2.gz GNKBLQHPNIDBTR-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC[N@H+](C[C@H](CC)C[NH3+])C(C)C 83606783 572345435 /nfs/dbraw/zinc/34/54/35/572345435.db2.gz JREZODRYCMOFSW-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@@H+](CC1CC1)C[C@@H](CC)C[NH3+] 83607820 572345448 /nfs/dbraw/zinc/34/54/48/572345448.db2.gz OUGMALCGOUYGSB-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[C@@H](C[NH3+])C[N@H+](C)C1CCCC1 83606760 572345498 /nfs/dbraw/zinc/34/54/98/572345498.db2.gz LAJWKIBJBRXHQG-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C[NH3+])C[NH+]1CCCCCC1 83606372 572345526 /nfs/dbraw/zinc/34/55/26/572345526.db2.gz QVTRBXKCHISXLT-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@H+](CCC)C1CC1 83606788 572345584 /nfs/dbraw/zinc/34/55/84/572345584.db2.gz CBHQSNNMTQTXGW-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[N@H+](C)C[C@H](CC)C[NH3+] 83606860 572345676 /nfs/dbraw/zinc/34/56/76/572345676.db2.gz SQRQFUWYARESTQ-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)CCC[NH3+])C1 52420754 572345738 /nfs/dbraw/zinc/34/57/38/572345738.db2.gz MJPKKMJCAVBPDQ-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C[C@H](C)C[N@H+](C)C1CCCCC1 52419255 572345755 /nfs/dbraw/zinc/34/57/55/572345755.db2.gz UMVRCWZUFMDBHC-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C[NH3+])C[N@H+](CC)CCC 83606766 572345995 /nfs/dbraw/zinc/34/59/95/572345995.db2.gz SVXRPLBDEMODNB-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](CC)C1CCCC1 83606949 572346093 /nfs/dbraw/zinc/34/60/93/572346093.db2.gz GHVXDKMJEWCKTC-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)CC 83606821 572346115 /nfs/dbraw/zinc/34/61/15/572346115.db2.gz RJROUGIPFQSKJB-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@@H+](CC1CC1)C[C@H](CC)C[NH3+] 83607823 572346194 /nfs/dbraw/zinc/34/61/94/572346194.db2.gz OUGMALCGOUYGSB-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCCCC[N@H+](C)C[C@@H](CC)C[NH3+] 83606858 572346202 /nfs/dbraw/zinc/34/62/02/572346202.db2.gz SQRQFUWYARESTQ-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC(C)[C@H](C[NH3+])C[NH2+]C1CCCCC1 83607278 572346238 /nfs/dbraw/zinc/34/62/38/572346238.db2.gz VTHLWSGBGRYNCE-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H](C[NH3+])C[N@@H+]1CCCC[C@H]1C 83606305 572346271 /nfs/dbraw/zinc/34/62/71/572346271.db2.gz BNTPMNZGVNIERG-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C[NH3+])C[NH+]1CCCCCC1 83606364 572346394 /nfs/dbraw/zinc/34/63/94/572346394.db2.gz ROKMGZTZMJZBTL-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[C@@H](C[NH3+])C[NH+]1CCCCCC1 83606362 572346453 /nfs/dbraw/zinc/34/64/53/572346453.db2.gz ROKMGZTZMJZBTL-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[N@H+](C[C@H](C[NH3+])C(C)C)C1CC1 83606797 572346476 /nfs/dbraw/zinc/34/64/76/572346476.db2.gz NLNJHOAREDRPAO-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C[NH3+])C[N@H+](CC)C(C)C 83606730 572346497 /nfs/dbraw/zinc/34/64/97/572346497.db2.gz DGNNZIYOVRCVFT-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[N@H+](C)C[C@H](C[NH3+])CCC 83606427 572346567 /nfs/dbraw/zinc/34/65/67/572346567.db2.gz QMBLMPYGTAIZII-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@H](C[NH3+])C[N@H+](C)C1CCCC1 83606753 572346580 /nfs/dbraw/zinc/34/65/80/572346580.db2.gz UNAKTMUAJVQBTE-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C[NH3+])C[N@@H+]1CCC[C@@H]1CC 83607219 572346717 /nfs/dbraw/zinc/34/67/17/572346717.db2.gz UOXQECFFZUQGIC-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C[C@@H](CC)C[NH3+] 83607064 572346871 /nfs/dbraw/zinc/34/68/71/572346871.db2.gz OOVCJHMVHUDIBC-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP CCC1CC[NH+](C[C@H](CC)C[NH3+])CC1 83607625 572346923 /nfs/dbraw/zinc/34/69/23/572346923.db2.gz RWTHEPHURMWZSJ-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C[NH3+])C[NH2+]C1(C)CCCCC1 83608577 572346942 /nfs/dbraw/zinc/34/69/42/572346942.db2.gz XRKUSCGMCIYDFV-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)[C@@H](C[NH3+])C[NH+]1CCCCCC1 83606370 572346976 /nfs/dbraw/zinc/34/69/76/572346976.db2.gz QVTRBXKCHISXLT-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H](CC)C1 83607089 572347018 /nfs/dbraw/zinc/34/70/18/572347018.db2.gz HMGCVRAQDOECNM-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@H+](C[C@@H](CC)C[NH3+])C(C)C 83606780 572347133 /nfs/dbraw/zinc/34/71/33/572347133.db2.gz JREZODRYCMOFSW-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCC(CC)[N@@H+](C)C[C@H](CC)C[NH3+] 83607057 572347220 /nfs/dbraw/zinc/34/72/20/572347220.db2.gz SJFSYRWRRKVTAF-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H]1CC 83607217 572347323 /nfs/dbraw/zinc/34/73/23/572347323.db2.gz UOXQECFFZUQGIC-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C[NH3+])C[N@@H+]1CCC[C@H](C)[C@@H]1C 83608798 572347576 /nfs/dbraw/zinc/34/75/76/572347576.db2.gz GLEGBKHLUAIPBH-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H](C[NH3+])C[NH2+]C1(C)CCCC1 83609704 572347757 /nfs/dbraw/zinc/34/77/57/572347757.db2.gz DTBOQPMCDQRSPI-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[N@H+](CC)[C@H](C)CC[NH2+]CC 52448653 572347866 /nfs/dbraw/zinc/34/78/66/572347866.db2.gz YITZNWXWWCJNOF-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC[N@H+](C)[C@@H](C)CCC[NH2+]C(C)C 52446215 572347884 /nfs/dbraw/zinc/34/78/84/572347884.db2.gz CXIQDAMCDUUQHQ-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP CC(C)[C@H](C[NH3+])C[N@@H+]1CCCC1(C)C 83609163 572348207 /nfs/dbraw/zinc/34/82/07/572348207.db2.gz ZSLVJIRBONXTBI-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](CCCCC[NH2+]C)C(C)C 52446958 572348356 /nfs/dbraw/zinc/34/83/56/572348356.db2.gz DOLOLBJTDQTVJA-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[N@@H+]1CC[C@@H](C[C@@H]([NH3+])C(C)C)C1 238217319 572348431 /nfs/dbraw/zinc/34/84/31/572348431.db2.gz DPQRKRPCVMAZRV-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@@H+]1CC[C@H](CC[C@@H]([NH3+])CC)C1 238217973 572348598 /nfs/dbraw/zinc/34/85/98/572348598.db2.gz XYNJUHFCTMUIBQ-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1CCC[C@H](C)CC1 83609283 572348653 /nfs/dbraw/zinc/34/86/53/572348653.db2.gz CMQDSYYMQPXUPJ-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@H](CC)C[NH3+] 83608815 572348793 /nfs/dbraw/zinc/34/87/93/572348793.db2.gz JTFRFNSFQVYNNR-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP CC[N@@H+](C1CCCC1)[C@@H](C)CCC[NH3+] 52457786 572348858 /nfs/dbraw/zinc/34/88/58/572348858.db2.gz GZBNMLAWBWGVMC-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](C)CC1CCCC1 83609295 572348862 /nfs/dbraw/zinc/34/88/62/572348862.db2.gz OKMMWNKFNFGRGP-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C[NH3+])C[NH+]1CCC(C)(C)CC1 83609024 572348934 /nfs/dbraw/zinc/34/89/34/572348934.db2.gz YSBQKCFXYLVRRO-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[NH2+]CC1(C)CCCC1 83609360 572348958 /nfs/dbraw/zinc/34/89/58/572348958.db2.gz BPXZGBAHJKIFGY-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CCC[N@@H+]1CC[C@@H](CC[C@@H]([NH3+])CC)C1 238217275 572349002 /nfs/dbraw/zinc/34/90/02/572349002.db2.gz XYNJUHFCTMUIBQ-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[N@H+](C)[C@@H](C)CCC[NH3+] 52454828 572349043 /nfs/dbraw/zinc/34/90/43/572349043.db2.gz LTLGAVFXENBUJU-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@@H+]1CCCC1(C)C 83609153 572349339 /nfs/dbraw/zinc/34/93/39/572349339.db2.gz VIZMFEOWWRNSHJ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@@H+]1CC[C@H](C[C@@H]([NH3+])C(C)C)C1 238218022 572349387 /nfs/dbraw/zinc/34/93/87/572349387.db2.gz DPQRKRPCVMAZRV-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C[NH3+])C[NH2+]C1(C)CCCC1 83609714 572349532 /nfs/dbraw/zinc/34/95/32/572349532.db2.gz QGTBLFWBVVFNTC-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CCCCC[N@H+](C)[C@@H](C)CC[NH2+]C 52454726 572349540 /nfs/dbraw/zinc/34/95/40/572349540.db2.gz ROTKPRFRJPQNKM-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@H+](C)CC1CCC1 83608993 572349622 /nfs/dbraw/zinc/34/96/22/572349622.db2.gz WBJCTGWWTRMLIM-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1CCCCC[C@@H]1C 83609499 572349638 /nfs/dbraw/zinc/34/96/38/572349638.db2.gz BHNQMUYOSVQHIH-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C[NH3+])C[N@H+](CC)CC1CC1 83609422 572349754 /nfs/dbraw/zinc/34/97/54/572349754.db2.gz VQXOQFUXPAJSDT-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H](CC)C[NH3+] 83608813 572349832 /nfs/dbraw/zinc/34/98/32/572349832.db2.gz JTFRFNSFQVYNNR-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)[C@@H](C[NH3+])C[NH2+]C1(C)CCCC1 83609711 572350001 /nfs/dbraw/zinc/35/00/01/572350001.db2.gz QGTBLFWBVVFNTC-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C[NH3+])C[N@@H+]1CCCCC[C@@H]1C 83609501 572350019 /nfs/dbraw/zinc/35/00/19/572350019.db2.gz BHNQMUYOSVQHIH-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C[NH3+])C[N@@H+]1CCCC(C)(C)C1 83609472 572350056 /nfs/dbraw/zinc/35/00/56/572350056.db2.gz DXXOKHLJYVKOIF-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](C)CCCC[NH2+]C(C)(C)C 52445772 572350061 /nfs/dbraw/zinc/35/00/61/572350061.db2.gz XTLUOGUTXAXHNN-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@H](C[NH3+])C[N@@H+]1CCCC1(C)C 83609154 572350105 /nfs/dbraw/zinc/35/01/05/572350105.db2.gz VIZMFEOWWRNSHJ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCCC1(C)C 83609161 572350212 /nfs/dbraw/zinc/35/02/12/572350212.db2.gz ZSLVJIRBONXTBI-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C[NH3+])C[N@H+](C)CC1CCC1 83608996 572350368 /nfs/dbraw/zinc/35/03/68/572350368.db2.gz WBJCTGWWTRMLIM-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C[NH3+])C[N@@H+]1CCC[C@H](C)CC1 83609285 572350649 /nfs/dbraw/zinc/35/06/49/572350649.db2.gz CMQDSYYMQPXUPJ-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H](CC)C[NH3+] 83608818 572350482 /nfs/dbraw/zinc/35/04/82/572350482.db2.gz JTFRFNSFQVYNNR-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@H+](CC)CC1CC1 83609420 572350555 /nfs/dbraw/zinc/35/05/55/572350555.db2.gz VQXOQFUXPAJSDT-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[N@@H+]1CCCC(C)(C)C1 83609470 572350590 /nfs/dbraw/zinc/35/05/90/572350590.db2.gz DXXOKHLJYVKOIF-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])C[N@H+](C)C(C)(C)CC 83609435 572350666 /nfs/dbraw/zinc/35/06/66/572350666.db2.gz MHVVCJFZECKILV-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@H](C[NH3+])C[NH2+]C1(C)CCCC1 83609706 572350677 /nfs/dbraw/zinc/35/06/77/572350677.db2.gz DTBOQPMCDQRSPI-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[N@@H+](C1CCCC1)[C@@H](C)CC[NH2+]C 52457705 572350802 /nfs/dbraw/zinc/35/08/02/572350802.db2.gz LKULBKSBAOVBJQ-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C[NH3+])C[N@@H+]1CC[C@H](C)C[C@@H]1C 83608857 572350873 /nfs/dbraw/zinc/35/08/73/572350873.db2.gz FSBBPOKRCAOWQW-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C[NH3+])C[N@H+](C)C(C)(C)CC 83609437 572350905 /nfs/dbraw/zinc/35/09/05/572350905.db2.gz MHVVCJFZECKILV-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@H](CC)C[NH3+] 83608812 572351096 /nfs/dbraw/zinc/35/10/96/572351096.db2.gz JTFRFNSFQVYNNR-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H](C[NH3+])C[NH+]1CCC(C)(C)CC1 83609021 572351135 /nfs/dbraw/zinc/35/11/35/572351135.db2.gz YSBQKCFXYLVRRO-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C[NH3+])C[N@H+](C)CC1CCCC1 83609297 572351304 /nfs/dbraw/zinc/35/13/04/572351304.db2.gz OKMMWNKFNFGRGP-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C[NH3+])C[NH2+]CC1(C)CCCC1 83609364 572351400 /nfs/dbraw/zinc/35/14/00/572351400.db2.gz BPXZGBAHJKIFGY-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC[NH2+]CCCC[N@H+](CC)C(C)C 52446502 572351510 /nfs/dbraw/zinc/35/15/10/572351510.db2.gz JZYVCPYHYFFPJB-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[N@H+](CC)[C@@H](C)CC[NH2+]C1CC1 52448669 572352077 /nfs/dbraw/zinc/35/20/77/572352077.db2.gz GTMRTZZEQIWIDI-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC(C)(C)C[NH3+] 83636878 572354512 /nfs/dbraw/zinc/35/45/12/572354512.db2.gz XXOPBINSSOMIPO-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H](C1CC1)[N@H+](C)CCC(C)(C)C[NH3+] 83636940 572354903 /nfs/dbraw/zinc/35/49/03/572354903.db2.gz ONYRYDFWDRTXNU-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CCCCCC[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87039342 572355164 /nfs/dbraw/zinc/35/51/64/572355164.db2.gz QJSWEGHQZWHQTM-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039340 572355310 /nfs/dbraw/zinc/35/53/10/572355310.db2.gz QJSWEGHQZWHQTM-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@@H](C)CCC[NH3+] 52480688 572355462 /nfs/dbraw/zinc/35/54/62/572355462.db2.gz NANODOWAGGAJNL-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1CCC(C)(C)C[NH3+] 83636770 572355476 /nfs/dbraw/zinc/35/54/76/572355476.db2.gz PWROIKKMWVABAX-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1CCC[N@H+](CCC(C)(C)C[NH3+])C1 83636784 572355594 /nfs/dbraw/zinc/35/55/94/572355594.db2.gz JAYCLDQCUBECPO-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C1CC1)[N@H+](C)CCC(C)(C)C[NH3+] 83636938 572355661 /nfs/dbraw/zinc/35/56/61/572355661.db2.gz ONYRYDFWDRTXNU-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](CCC(C)(C)C[NH3+])C(C)C 83636860 572355914 /nfs/dbraw/zinc/35/59/14/572355914.db2.gz KVWANOPAMVLKEQ-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH3+])C1 52479799 572356002 /nfs/dbraw/zinc/35/60/02/572356002.db2.gz CGTXXMZOERCGQD-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCCC[N@@H+]1CCC(C)(C)C[NH3+] 83636773 572356776 /nfs/dbraw/zinc/35/67/76/572356776.db2.gz PWROIKKMWVABAX-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCC[N@H+](CCC(C)(C)C[NH3+])C1 83636786 572356835 /nfs/dbraw/zinc/35/68/35/572356835.db2.gz JAYCLDQCUBECPO-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[N@H+](CCC(C)(C)C[NH3+])C1CCCC1 83636867 572357591 /nfs/dbraw/zinc/35/75/91/572357591.db2.gz BHHLUDCIKUMGGY-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C[NH3+])CC[NH+]1CCCCCC1 83636788 572356803 /nfs/dbraw/zinc/35/68/03/572356803.db2.gz MTBILTHWUBSQAJ-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP C[NH2+]C1(CC[NH2+]C(C)C)CCCCC1 83632757 572357171 /nfs/dbraw/zinc/35/71/71/572357171.db2.gz DFNHCCPPPWBIPU-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP CC[C@H](C)[N@H+](C)CCC(C)(C)C[NH3+] 83636880 572357180 /nfs/dbraw/zinc/35/71/80/572357180.db2.gz XXOPBINSSOMIPO-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+]C1(CC[NH2+]C2CC2)CCCCC1 83632763 572357207 /nfs/dbraw/zinc/35/72/07/572357207.db2.gz SHBOKJVVKBCZFJ-UHFFFAOYSA-N 2 0 196.338 2.051 10 0 AEAERP CCC[N@H+](CCC(C)(C)C[NH3+])C1CC1 83636872 572357350 /nfs/dbraw/zinc/35/73/50/572357350.db2.gz FUVWHBBBJPJFNJ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC1CC[NH+](CCC(C)(C)C[NH3+])CC1 83636764 572357366 /nfs/dbraw/zinc/35/73/66/572357366.db2.gz BHMAUAGQMDAYME-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP C[N@H+](CCC(C)(C)C[NH3+])CC1CCC1 83637229 572357615 /nfs/dbraw/zinc/35/76/15/572357615.db2.gz IOSUVVCOLOVLOI-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CCC(C)(C)C[NH3+] 83637013 572357673 /nfs/dbraw/zinc/35/76/73/572357673.db2.gz HJNURZZCQAAJER-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC)CCC(C)(C)C[NH3+] 83636868 572357901 /nfs/dbraw/zinc/35/79/01/572357901.db2.gz JLLJBHQEZSPCSV-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[NH2+]CCC1([NH2+]C)CCCCC1 83632753 572357953 /nfs/dbraw/zinc/35/79/53/572357953.db2.gz DMDFSKKSSQQQNE-UHFFFAOYSA-N 2 0 198.354 2.298 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CCC(C)(C)C[NH3+] 83637014 572358092 /nfs/dbraw/zinc/35/80/92/572358092.db2.gz HJNURZZCQAAJER-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[C@@H]1C[C@@H](C[NH+](C)C)C[NH2+]1 238220477 572358142 /nfs/dbraw/zinc/35/81/42/572358142.db2.gz BJVAKHOBZPEQOS-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@H](C)[NH2+][C@H](C)CC 307991715 572358992 /nfs/dbraw/zinc/35/89/92/572358992.db2.gz PZJXBTPESLUFLK-HBNTYKKESA-N 2 0 186.343 2.151 10 0 AEAERP CC[N@H+](CCC(C)(C)C[NH3+])CC1CC1 83637344 572359359 /nfs/dbraw/zinc/35/93/59/572359359.db2.gz NTHWRFZSSOLCOS-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC1(C)CCC[N@H+](CCCC[NH3+])CC1 83680163 572359428 /nfs/dbraw/zinc/35/94/28/572359428.db2.gz HESBWFKDTQVQCI-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CC(C)(C[NH3+])CC[N@@H+]1CCCC1(C)C 83637263 572359406 /nfs/dbraw/zinc/35/94/06/572359406.db2.gz WEDIQPVLMLLWGM-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[N@H+](CCCC(C)(C)C[NH3+])CC1CC1 83640893 572362579 /nfs/dbraw/zinc/36/25/79/572362579.db2.gz ODOCGLJHOSMFRZ-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC(C)(C)C(N)=[NH2+] 83639493 572362770 /nfs/dbraw/zinc/36/27/70/572362770.db2.gz XIXPFEDIPZEPLY-SECBINFHSA-N 2 0 199.342 2.069 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CCCC(C)(C)C[NH3+] 83640887 572362926 /nfs/dbraw/zinc/36/29/26/572362926.db2.gz ZVRQYVJGOJAMAD-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[N@H+](C)CCC(C)(C)C(N)=[NH2+] 83639494 572363086 /nfs/dbraw/zinc/36/30/86/572363086.db2.gz XIXPFEDIPZEPLY-VIFPVBQESA-N 2 0 199.342 2.069 10 0 AEAERP CCCC[N@H+](C)CCC(C)(C)C(N)=[NH2+] 83639459 572363553 /nfs/dbraw/zinc/36/35/53/572363553.db2.gz PRBDJICARJNHDW-UHFFFAOYSA-N 2 0 199.342 2.071 10 0 AEAERP C[C@H]1CC[N@H+](CCCC(C)(C)C[NH3+])C1 83640900 572363164 /nfs/dbraw/zinc/36/31/64/572363164.db2.gz SPLYKOHGOGLUGW-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](CCC(C)(C)C(N)=[NH2+])C(C)C 83639483 572363270 /nfs/dbraw/zinc/36/32/70/572363270.db2.gz ZHDGPCYJFLREKP-UHFFFAOYSA-N 2 0 199.342 2.069 10 0 AEAERP C[C@H]1CCC[N@@H+]1CCCC(C)(C)C[NH3+] 83640888 572363330 /nfs/dbraw/zinc/36/33/30/572363330.db2.gz ZVRQYVJGOJAMAD-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C[NH3+])CCC[NH+]1CCCCC1 83640719 572363337 /nfs/dbraw/zinc/36/33/37/572363337.db2.gz OWDYUCIIXPQWRK-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP C[C@@H]1CC[N@H+](CCCC(C)(C)C[NH3+])C1 83640899 572363364 /nfs/dbraw/zinc/36/33/64/572363364.db2.gz SPLYKOHGOGLUGW-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@H+](C)CCCC(C)(C)C[NH3+] 83640780 572363429 /nfs/dbraw/zinc/36/34/29/572363429.db2.gz DDXCYLVOPZNFTC-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CC[N@H+](CCCC(C)(C)C[NH3+])C1CC1 83640768 572363436 /nfs/dbraw/zinc/36/34/36/572363436.db2.gz KRPXLVVEVFMWNV-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)CCCC(C)(C)C[NH3+] 83640704 572363475 /nfs/dbraw/zinc/36/34/75/572363475.db2.gz TZFLPNWTTSGYEE-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[N@H+](CC)CCC(C)(C)C(N)=[NH2+] 83639488 572363494 /nfs/dbraw/zinc/36/34/94/572363494.db2.gz NZFXWSLKCYAPEG-UHFFFAOYSA-N 2 0 199.342 2.071 10 0 AEAERP C[C@@H]([NH3+])CCC[C@@H](C)C[NH2+]C1CCC1 83684074 572375683 /nfs/dbraw/zinc/37/56/83/572375683.db2.gz FDIIYFXGOCOLDV-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[N@@H+]1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238222487 572370927 /nfs/dbraw/zinc/37/09/27/572370927.db2.gz YZEUCZLGTBYNMY-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[C@@H]1C[C@H](C[NH+](C)C)C[NH2+]1 238221485 572375060 /nfs/dbraw/zinc/37/50/60/572375060.db2.gz BJVAKHOBZPEQOS-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C)CCCC(C)(C)CC[NH3+] 83683825 572375232 /nfs/dbraw/zinc/37/52/32/572375232.db2.gz PEKMHVXHYBDZKL-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[NH2+]C[C@@H](C)CCC[C@H](C)[NH3+] 83683940 572375671 /nfs/dbraw/zinc/37/56/71/572375671.db2.gz HIMSBBNVMQABAL-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP C[C@H]([NH3+])CCC[C@H](C)C[NH2+]CC1CC1 83683991 572375717 /nfs/dbraw/zinc/37/57/17/572375717.db2.gz OQNGWIGXFBUSIH-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)CCC[C@H](C)[NH3+] 83683950 572375757 /nfs/dbraw/zinc/37/57/57/572375757.db2.gz YNJDXJBXSLFNHB-QWRGUYRKSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@H]([NH3+])CCC[C@H](C)C[NH2+]C1CCC1 83684075 572375929 /nfs/dbraw/zinc/37/59/29/572375929.db2.gz FDIIYFXGOCOLDV-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])CCC[C@@H](C)C[NH2+]C1CCC1 83684076 572375939 /nfs/dbraw/zinc/37/59/39/572375939.db2.gz FDIIYFXGOCOLDV-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CCC[NH2+]C[C@@H](C)CCC[C@@H](C)[NH3+] 83683938 572375986 /nfs/dbraw/zinc/37/59/86/572375986.db2.gz HIMSBBNVMQABAL-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP C[C@@H](CCC[C@@H](C)[NH3+])C[N@H+](C)C1CC1 83683832 572376460 /nfs/dbraw/zinc/37/64/60/572376460.db2.gz IZFQAIJIZPBYKZ-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[NH2+]C[C@H](C)CCC[C@@H](C)[NH3+] 83683939 572376602 /nfs/dbraw/zinc/37/66/02/572376602.db2.gz HIMSBBNVMQABAL-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP C[C@@H]([NH3+])CCC[C@@H](C)C[N@H+](C)C1CC1 83683833 572376821 /nfs/dbraw/zinc/37/68/21/572376821.db2.gz IZFQAIJIZPBYKZ-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])CCC[C@@H](C)C[NH2+]CC1CC1 83683992 572377029 /nfs/dbraw/zinc/37/70/29/572377029.db2.gz OQNGWIGXFBUSIH-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH3+])CCC[C@H](C)C[NH+]1CCCC1 83683759 572377035 /nfs/dbraw/zinc/37/70/35/572377035.db2.gz DVYLOFMTFDVVBT-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1C[C@@H]1[NH2+]CCCC(C)(C)CC[NH3+] 83684077 572377188 /nfs/dbraw/zinc/37/71/88/572377188.db2.gz IRQHRGQFPOFAOO-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H](CCC[C@@H](C)[NH3+])C[NH+]1CCCC1 83683757 572377347 /nfs/dbraw/zinc/37/73/47/572377347.db2.gz DVYLOFMTFDVVBT-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH2+]CCCC(C)(C)CC[NH3+] 83683937 572377473 /nfs/dbraw/zinc/37/74/73/572377473.db2.gz YKSWTHYGXOVLBN-UHFFFAOYSA-N 2 0 186.343 2.141 10 0 AEAERP CCC[NH2+]C[C@H](C)CCC[C@H](C)[NH3+] 83683941 572377531 /nfs/dbraw/zinc/37/75/31/572377531.db2.gz HIMSBBNVMQABAL-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)(CC[NH3+])CCC[NH2+]CC1CC1 83683988 572377682 /nfs/dbraw/zinc/37/76/82/572377682.db2.gz LZVNRUHJLCMUKG-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP C[C@H]([NH3+])CCC[C@H](C)C[N@H+](C)C1CC1 83683834 572378110 /nfs/dbraw/zinc/37/81/10/572378110.db2.gz IZFQAIJIZPBYKZ-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([NH3+])CCC[C@@H](C)C[NH+]1CCCC1 83683758 572377756 /nfs/dbraw/zinc/37/77/56/572377756.db2.gz DVYLOFMTFDVVBT-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH2+]C[C@H](C)CCC[C@@H](C)[NH3+] 83683949 572377847 /nfs/dbraw/zinc/37/78/47/572377847.db2.gz YNJDXJBXSLFNHB-GHMZBOCLSA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)CCC[C@@H](C)[NH3+] 83683948 572378038 /nfs/dbraw/zinc/37/80/38/572378038.db2.gz YNJDXJBXSLFNHB-WDEREUQCSA-N 2 0 186.343 2.138 10 0 AEAERP CC[N@H+](C)C[C@H](C)CCC[C@@H](C)[NH3+] 83683827 572378085 /nfs/dbraw/zinc/37/80/85/572378085.db2.gz FVZNRMXQUHVLST-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP C[N@H+](CCCC(C)(C)CC[NH3+])C1CC1 83683831 572378093 /nfs/dbraw/zinc/37/80/93/572378093.db2.gz VEXUVELJYNELJS-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CCC[C@@H](C)[NH3+])C[NH2+]CC1CC1 83683989 572378212 /nfs/dbraw/zinc/37/82/12/572378212.db2.gz OQNGWIGXFBUSIH-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[NH2+]C[C@H](C)CCC[C@H](C)[NH3+] 83683951 572378321 /nfs/dbraw/zinc/37/83/21/572378321.db2.gz YNJDXJBXSLFNHB-MNOVXSKESA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)(CC[NH3+])CCC[NH+]1CCCC1 83683756 572378340 /nfs/dbraw/zinc/37/83/40/572378340.db2.gz KWPVHJRTFLONKX-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP C[C@H]([NH3+])CCC[C@@H](C)C[NH+]1CCCC1 83683760 572378386 /nfs/dbraw/zinc/37/83/86/572378386.db2.gz DVYLOFMTFDVVBT-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](C)C[C@@H](C)CCC[C@@H](C)[NH3+] 83683826 572378397 /nfs/dbraw/zinc/37/83/97/572378397.db2.gz FVZNRMXQUHVLST-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@@H]([NH3+])CCC[C@@H](C)C[NH2+]CC1CC1 83683990 572378514 /nfs/dbraw/zinc/37/85/14/572378514.db2.gz OQNGWIGXFBUSIH-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]1C[C@H]1[NH2+]CCCC(C)(C)CC[NH3+] 83684080 572378551 /nfs/dbraw/zinc/37/85/51/572378551.db2.gz IRQHRGQFPOFAOO-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1C[C@H]1[NH2+]CCCC(C)(C)CC[NH3+] 83684079 572378581 /nfs/dbraw/zinc/37/85/81/572378581.db2.gz IRQHRGQFPOFAOO-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]1C[C@@H]1[NH2+]CCCC(C)(C)CC[NH3+] 83684078 572378593 /nfs/dbraw/zinc/37/85/93/572378593.db2.gz IRQHRGQFPOFAOO-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[NH2+]CCCC(C)(C)CC[NH3+] 83683947 572378604 /nfs/dbraw/zinc/37/86/04/572378604.db2.gz VWRYKOIRWXJPNY-UHFFFAOYSA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)(CC[NH3+])CCC[NH2+]C1CCC1 83684072 572378662 /nfs/dbraw/zinc/37/86/62/572378662.db2.gz HKPBSALHNHLRSD-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]([NH3+])CCC[C@@H](C)C[N@H+](C)C1CC1 83683835 572378781 /nfs/dbraw/zinc/37/87/81/572378781.db2.gz IZFQAIJIZPBYKZ-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](CCC[C@@H](C)[NH3+])C[NH2+]C1CCC1 83684073 572378807 /nfs/dbraw/zinc/37/88/07/572378807.db2.gz FDIIYFXGOCOLDV-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(CC)[N@H+](CC)C[C@@H](C)C(N)=[NH2+] 87157554 572379318 /nfs/dbraw/zinc/37/93/18/572379318.db2.gz WMXLNVVQOBVUCZ-SECBINFHSA-N 2 0 199.342 2.069 10 0 AEAERP CCC(CC)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 87156920 572379435 /nfs/dbraw/zinc/37/94/35/572379435.db2.gz FAERCAQVBZELEQ-RYUDHWBXSA-N 2 0 198.354 2.425 10 0 AEAERP CCC(CC)[N@H+](CC)C[C@@H](C)C[NH3+] 87157010 572379881 /nfs/dbraw/zinc/37/98/81/572379881.db2.gz QWMHNAXZQIJCIR-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CCC(CC)[N@H+](CC)C[C@H](C)C[NH3+] 87157012 572380036 /nfs/dbraw/zinc/38/00/36/572380036.db2.gz QWMHNAXZQIJCIR-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1[NH3+] 87156844 572380108 /nfs/dbraw/zinc/38/01/08/572380108.db2.gz NAVRFLSNULBIIN-WDEREUQCSA-N 2 0 184.327 2.035 10 0 AEAERP CCC(CC)[NH2+][C@H]1CCCC[C@@H]1[NH3+] 87156846 572380271 /nfs/dbraw/zinc/38/02/71/572380271.db2.gz NAVRFLSNULBIIN-QWRGUYRKSA-N 2 0 184.327 2.035 10 0 AEAERP CCC(CC)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 87156919 572380392 /nfs/dbraw/zinc/38/03/92/572380392.db2.gz FAERCAQVBZELEQ-NWDGAFQWSA-N 2 0 198.354 2.425 10 0 AEAERP CCC[N@H+](CCC[NH3+])C(CC)CC 87156884 572380541 /nfs/dbraw/zinc/38/05/41/572380541.db2.gz PNXFWMBLYBDHHV-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CCC(CC)[NH2+]CC[C@H]1CCC[NH2+]C1 87156933 572380574 /nfs/dbraw/zinc/38/05/74/572380574.db2.gz AYLLMBFUBFFKEI-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CCC(CC)[NH2+][C@H]1CCCCC[C@H]1[NH3+] 87156923 572381559 /nfs/dbraw/zinc/38/15/59/572381559.db2.gz FAERCAQVBZELEQ-NEPJUHHUSA-N 2 0 198.354 2.425 10 0 AEAERP CCC(CC)[N@H+](CCC[NH3+])C(C)C 87156886 572381618 /nfs/dbraw/zinc/38/16/18/572381618.db2.gz SPRSOYUWINPTGL-UHFFFAOYSA-N 2 0 186.343 2.234 10 0 AEAERP C[C@@H]([NH3+])C[C@@H]1CCC[N@@H+]1CC(C)(C)C 713245542 572381642 /nfs/dbraw/zinc/38/16/42/572381642.db2.gz YSIRHWPGEPILSY-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])C[C@@H]1CCC[N@@H+]1CC(C)(C)C 713245546 572381932 /nfs/dbraw/zinc/38/19/32/572381932.db2.gz YSIRHWPGEPILSY-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 87156848 572382046 /nfs/dbraw/zinc/38/20/46/572382046.db2.gz NAVRFLSNULBIIN-GHMZBOCLSA-N 2 0 184.327 2.035 10 0 AEAERP CCC(CC)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 87156921 572382077 /nfs/dbraw/zinc/38/20/77/572382077.db2.gz FAERCAQVBZELEQ-VXGBXAGGSA-N 2 0 198.354 2.425 10 0 AEAERP CCC(CC)[N@H+](CC)C1CC[NH2+]CC1 87158270 572382171 /nfs/dbraw/zinc/38/21/71/572382171.db2.gz AEZLBDFDNBIHBS-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]([NH3+])C[C@H]1CCC[N@@H+]1CC(C)(C)C 713245549 572382267 /nfs/dbraw/zinc/38/22/67/572382267.db2.gz YSIRHWPGEPILSY-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([NH3+])C[C@H]1CCC[N@@H+]1CC(C)(C)C 713245537 572382394 /nfs/dbraw/zinc/38/23/94/572382394.db2.gz YSIRHWPGEPILSY-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[NH2+]CC[C@@H]1CCC[NH2+]C1 87156931 572382763 /nfs/dbraw/zinc/38/27/63/572382763.db2.gz AYLLMBFUBFFKEI-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCC(CC)[N@H+](CCC(N)=[NH2+])C(C)C 87157557 572382803 /nfs/dbraw/zinc/38/28/03/572382803.db2.gz HOSMIAABXPZIJX-UHFFFAOYSA-N 2 0 199.342 2.211 10 0 AEAERP CCC(CC)[N@@H+]1CCC[C@@H]1CCC[NH3+] 87174311 572383511 /nfs/dbraw/zinc/38/35/11/572383511.db2.gz SRJPYYPMUXNITE-LBPRGKRZSA-N 2 0 198.354 2.378 10 0 AEAERP CCC(CC)[N@@H+]1CCC[C@H]1CCC[NH3+] 87174313 572383876 /nfs/dbraw/zinc/38/38/76/572383876.db2.gz SRJPYYPMUXNITE-GFCCVEGCSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)C[C@H](C[NH3+])C[NH2+]C1CCCC1 87187366 572390669 /nfs/dbraw/zinc/39/06/69/572390669.db2.gz GUVQTHIZSNGQRV-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CCCCC[N@@H+]1CCC[C@@](C)(C[NH3+])C1 688705734 572392190 /nfs/dbraw/zinc/39/21/90/572392190.db2.gz WTFUJWBOZCKILV-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1C[C@@H]([NH3+])C(C)C 238228619 572392808 /nfs/dbraw/zinc/39/28/08/572392808.db2.gz DCSFAAGVNCQPPZ-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1CCC[C@](C)(C[NH3+])C1 688705733 572393670 /nfs/dbraw/zinc/39/36/70/572393670.db2.gz WTFUJWBOZCKILV-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CC(C)C[C@@H](C[NH3+])C[NH2+]C1CCCC1 87187364 572393852 /nfs/dbraw/zinc/39/38/52/572393852.db2.gz GUVQTHIZSNGQRV-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C(C)C)C1 238229852 572394640 /nfs/dbraw/zinc/39/46/40/572394640.db2.gz NEWIZMLLRMQUGY-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1C[C@@H]([NH3+])C(C)C 238228990 572395687 /nfs/dbraw/zinc/39/56/87/572395687.db2.gz DCSFAAGVNCQPPZ-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[C@@H]([NH3+])C(C)(C)[NH+](C)C 87170998 572396765 /nfs/dbraw/zinc/39/67/65/572396765.db2.gz PSNFPDFRFWDMJY-SNVBAGLBSA-N 2 0 186.343 2.090 10 0 AEAERP CCC(CC)[C@H]([NH3+])C(C)(C)[NH+](C)C 87170997 572397326 /nfs/dbraw/zinc/39/73/26/572397326.db2.gz PSNFPDFRFWDMJY-JTQLQIEISA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)C[NH2+]C[C@@H]1CCCCC[C@H]1[NH3+] 87222544 572404536 /nfs/dbraw/zinc/40/45/36/572404536.db2.gz LKYBECIYXSBAFB-NWDGAFQWSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)[NH2+]C[C@H]1CCCCC[C@@H]1[NH3+] 87222530 572404028 /nfs/dbraw/zinc/40/40/28/572404028.db2.gz RJFLMRYLGFVXKY-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255230 572409314 /nfs/dbraw/zinc/40/93/14/572409314.db2.gz FQMXZXRTBICZBL-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[NH2+]C[C@@H]1CCCCC[C@@H]1[NH3+] 87222540 572405164 /nfs/dbraw/zinc/40/51/64/572405164.db2.gz LKYBECIYXSBAFB-RYUDHWBXSA-N 2 0 198.354 2.140 10 0 AEAERP CC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C(C)C)C1 238233733 572405356 /nfs/dbraw/zinc/40/53/56/572405356.db2.gz NEWIZMLLRMQUGY-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[NH2+]C[C@H]1CCCCC[C@H]1[NH3+] 87222585 572405602 /nfs/dbraw/zinc/40/56/02/572405602.db2.gz LKMTYOSIEZAYCD-VXGBXAGGSA-N 2 0 198.354 2.284 10 0 AEAERP CCCC[NH2+]C[C@@H]1CCCCC[C@@H]1[NH3+] 87222580 572405970 /nfs/dbraw/zinc/40/59/70/572405970.db2.gz LKMTYOSIEZAYCD-RYUDHWBXSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@H]1CCCCC[C@@H]1[NH3+] 87222526 572406261 /nfs/dbraw/zinc/40/62/61/572406261.db2.gz RJFLMRYLGFVXKY-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[NH2+]C[C@H]1CCCCC[C@@H]1[NH3+] 87222582 572406307 /nfs/dbraw/zinc/40/63/07/572406307.db2.gz LKMTYOSIEZAYCD-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)C[NH2+]C[C@H]1CCCCC[C@@H]1[NH3+] 87222542 572406423 /nfs/dbraw/zinc/40/64/23/572406423.db2.gz LKYBECIYXSBAFB-NEPJUHHUSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+][C@H](C)CCC[N@@H+]1CCC(C)(C)C1 87252021 572411002 /nfs/dbraw/zinc/41/10/02/572411002.db2.gz YLXFQVZNLBNTLM-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[NH2+]C[C@H]1CCCCC[C@H]1[NH3+] 87222546 572406779 /nfs/dbraw/zinc/40/67/79/572406779.db2.gz LKYBECIYXSBAFB-VXGBXAGGSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[NH2+]C[C@@H]1CCCCC[C@H]1[NH3+] 87222583 572407334 /nfs/dbraw/zinc/40/73/34/572407334.db2.gz LKMTYOSIEZAYCD-NWDGAFQWSA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@H](C[NH3+])C[N@@H+]1CCC(C)(C)C1 87255031 572407935 /nfs/dbraw/zinc/40/79/35/572407935.db2.gz OZQMVZZHCBZDLF-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC1(CC)CC[N@H+](CC[C@@H](C)[NH3+])C1 87252503 572408224 /nfs/dbraw/zinc/40/82/24/572408224.db2.gz PTKQTSLMBHDKFQ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+][C@H](C)CC[N@@H+]1CCC(C)(C)C1 87252166 572408281 /nfs/dbraw/zinc/40/82/81/572408281.db2.gz YDMCNAWAZSOXTI-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255183 572408338 /nfs/dbraw/zinc/40/83/38/572408338.db2.gz HELZYYMQZIMWAT-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@](C)(C[NH3+])C[N@@H+]1CCC(C)(C)C1 87258617 572408480 /nfs/dbraw/zinc/40/84/80/572408480.db2.gz DUKGIQUVQVIGJV-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255229 572408493 /nfs/dbraw/zinc/40/84/93/572408493.db2.gz FQMXZXRTBICZBL-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255182 572408611 /nfs/dbraw/zinc/40/86/11/572408611.db2.gz HELZYYMQZIMWAT-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCC(C)(C)C1 87252353 572408631 /nfs/dbraw/zinc/40/86/31/572408631.db2.gz SVIYETXWZXFKHM-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC(C[NH3+])(C[NH3+])CCCC 238232565 572408719 /nfs/dbraw/zinc/40/87/19/572408719.db2.gz ZHSUUVQKRNVGKK-UHFFFAOYSA-N 2 0 186.343 2.271 10 0 AEAERP CCC[C@](C)([NH3+])C[N@@H+]1CCC(C)(C)C1 87255123 572408736 /nfs/dbraw/zinc/40/87/36/572408736.db2.gz ODJPVXNIDUPQCP-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH2+]CCC[N@@H+]1CCC(C)(C)C1 87252025 572408805 /nfs/dbraw/zinc/40/88/05/572408805.db2.gz CHUYTQCKVZMWKB-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@@H](C)C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252348 572409039 /nfs/dbraw/zinc/40/90/39/572409039.db2.gz SVIYETXWZXFKHM-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@](C)([NH3+])C[N@@H+]1CCC(C)(C)C1 87255124 572409142 /nfs/dbraw/zinc/40/91/42/572409142.db2.gz ODJPVXNIDUPQCP-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@@H](C)C[C@H](C)[N@@H+]1CCC(C)(C)C1 87252352 572409216 /nfs/dbraw/zinc/40/92/16/572409216.db2.gz SVIYETXWZXFKHM-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CC[N@@H+]1CCC[NH2+][C@H](C)CC1 44390243 572409267 /nfs/dbraw/zinc/40/92/67/572409267.db2.gz VUZYYWBWWZNZMF-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CCC[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258846 572412564 /nfs/dbraw/zinc/41/25/64/572412564.db2.gz FTWZNLLSIRSMAJ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@@H+]1CCC[NH2+][C@@H](C)CC1 44390246 572409490 /nfs/dbraw/zinc/40/94/90/572409490.db2.gz VUZYYWBWWZNZMF-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)([NH3+])CCC[N@@H+]1CCC(C)(C)C1 87255104 572409539 /nfs/dbraw/zinc/40/95/39/572409539.db2.gz LCZBAYQZYKHWEV-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]([NH3+])CCCC[N@@H+]1CCC(C)(C)C1 87252027 572409600 /nfs/dbraw/zinc/40/96/00/572409600.db2.gz ZFAJINRMNXHHRL-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255185 572410100 /nfs/dbraw/zinc/41/01/00/572410100.db2.gz HELZYYMQZIMWAT-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCC1(CC)CC[N@H+](C/C=C/C[NH3+])C1 87254667 572410141 /nfs/dbraw/zinc/41/01/41/572410141.db2.gz GDYRKFNAPVOHIM-AATRIKPKSA-N 2 0 196.338 2.013 10 0 AEAERP CCC1(CC)CC[N@H+](CC[C@H](C)[NH3+])C1 87252504 572410439 /nfs/dbraw/zinc/41/04/39/572410439.db2.gz PTKQTSLMBHDKFQ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+]CC[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258962 572412578 /nfs/dbraw/zinc/41/25/78/572412578.db2.gz UYEZLOGRTYLEDX-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@](C)(C[NH3+])C[N@@H+]1CCC(C)(C)C1 87258618 572410492 /nfs/dbraw/zinc/41/04/92/572410492.db2.gz DUKGIQUVQVIGJV-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C)[C@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255180 572410604 /nfs/dbraw/zinc/41/06/04/572410604.db2.gz HELZYYMQZIMWAT-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@@H](C)CCC[N@@H+]1CCC(C)(C)C1 87252019 572410938 /nfs/dbraw/zinc/41/09/38/572410938.db2.gz YLXFQVZNLBNTLM-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252350 572411244 /nfs/dbraw/zinc/41/12/44/572411244.db2.gz SVIYETXWZXFKHM-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@H]([NH3+])c1ccc(C[NH3+])c(F)c1 238235008 572411245 /nfs/dbraw/zinc/41/12/45/572411245.db2.gz PWADZYVVYDNXNX-LLVKDONJSA-N 2 0 196.269 2.084 10 0 AEAERP CC[NH2+]CCC[C@H](C)CC[NH2+]CC 238235109 572411561 /nfs/dbraw/zinc/41/15/61/572411561.db2.gz YFQAGNKBWJCZME-NSHDSACASA-N 2 0 186.343 2.012 10 0 AEAERP CCC[C@@H](C[NH3+])C[N@@H+]1CCC(C)(C)C1 87255030 572411698 /nfs/dbraw/zinc/41/16/98/572411698.db2.gz OZQMVZZHCBZDLF-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[NH2+][C@@H](C)CC[N@@H+]1CCC(C)(C)C1 87252164 572411757 /nfs/dbraw/zinc/41/17/57/572411757.db2.gz YDMCNAWAZSOXTI-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH3+])CCCC[N@@H+]1CCC(C)(C)C1 87252029 572411812 /nfs/dbraw/zinc/41/18/12/572411812.db2.gz ZFAJINRMNXHHRL-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH2+]CCC[N@@H+]1CCC(C)(C)C1 87252063 572411879 /nfs/dbraw/zinc/41/18/79/572411879.db2.gz AUVWNQDVHJKGOV-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]CCCC[N@@H+]1CCC(C)(C)C1 87258881 572412621 /nfs/dbraw/zinc/41/26/21/572412621.db2.gz BAWRZZSUFYDYQZ-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]CC[C@H](C)[N@@H+]1CCC(C)(C)C1 87258964 572412710 /nfs/dbraw/zinc/41/27/10/572412710.db2.gz UYEZLOGRTYLEDX-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CCCCC[N@@H+]1CCC(C)(C)C1 87258984 572413253 /nfs/dbraw/zinc/41/32/53/572413253.db2.gz OEDXTWUHEHXCJM-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]CCC[C@@H](C)CC[NH2+]CC 238234636 572413403 /nfs/dbraw/zinc/41/34/03/572413403.db2.gz YFQAGNKBWJCZME-LLVKDONJSA-N 2 0 186.343 2.012 10 0 AEAERP C[NH2+]CCC[C@H](C)[N@@H+]1CCC(C)(C)C1 87258844 572413616 /nfs/dbraw/zinc/41/36/16/572413616.db2.gz FTWZNLLSIRSMAJ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@H+](C)CC1(CC[NH3+])CC1 83853394 572421443 /nfs/dbraw/zinc/42/14/43/572421443.db2.gz RHSOLYPJLUXCQS-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CC1(CC[NH3+])CC1 83853313 572422004 /nfs/dbraw/zinc/42/20/04/572422004.db2.gz XUJOUIVAGSVZAH-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CC1(CC[NH3+])CC1 83853343 572422120 /nfs/dbraw/zinc/42/21/20/572422120.db2.gz RARJPPCDYLVYIE-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CC1(CC[NH3+])CC1 83853310 572422193 /nfs/dbraw/zinc/42/21/93/572422193.db2.gz XYHKISCYQXRESG-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC1(CC[NH3+])CC1)C(C)C 83853303 572422269 /nfs/dbraw/zinc/42/22/69/572422269.db2.gz GSUHHAXPYWJDBJ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[N@H+](CC(C)(C)C)CC1(CC[NH3+])CC1 83853501 572422414 /nfs/dbraw/zinc/42/24/14/572422414.db2.gz CTKNRAUWQRRBBP-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](C)[N@H+](C)CC1(CC[NH3+])CC1 83853344 572422537 /nfs/dbraw/zinc/42/25/37/572422537.db2.gz RARJPPCDYLVYIE-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)C[N@H+](C)CC1(CC[NH3+])CC1 83853314 572422654 /nfs/dbraw/zinc/42/26/54/572422654.db2.gz XUJOUIVAGSVZAH-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCCCC[N@H+](C)CC1(CC[NH3+])CC1 83853312 572422926 /nfs/dbraw/zinc/42/29/26/572422926.db2.gz GMQXIXWAGKIGLO-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CCC(C)(C)[N@H+](C)CC1(CC[NH3+])CC1 83853628 572423560 /nfs/dbraw/zinc/42/35/60/572423560.db2.gz NTBNJYXEINMMME-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@H+](C)CC1(CC[NH3+])CC1 83853342 572423864 /nfs/dbraw/zinc/42/38/64/572423864.db2.gz MUYYEMWFEQJZBB-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)CC1(CC[NH3+])CC1 83853264 572424156 /nfs/dbraw/zinc/42/41/56/572424156.db2.gz ZPWDUQIDMGNKBU-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CC[N@H+](CC(C)C)CC1(CC[NH3+])CC1 83853309 572424379 /nfs/dbraw/zinc/42/43/79/572424379.db2.gz KSNPSEIGLLAIDX-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C)[N@H+](CC)CC1(CC[NH3+])CC1 83853311 572424546 /nfs/dbraw/zinc/42/45/46/572424546.db2.gz XYHKISCYQXRESG-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CC1(CC[NH3+])CC1 83853340 572424754 /nfs/dbraw/zinc/42/47/54/572424754.db2.gz QQLDNFQONRKNMM-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CC1(CC[NH3+])CC1 83853341 572424794 /nfs/dbraw/zinc/42/47/94/572424794.db2.gz QQLDNFQONRKNMM-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](CC)CC1(CC[NH3+])CC1 83853288 572424814 /nfs/dbraw/zinc/42/48/14/572424814.db2.gz OPWBDFGNWNSXNF-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CC(C)[NH2+]C1=CCCC[C@@H]1C[NH+](C)C 196630366 572425989 /nfs/dbraw/zinc/42/59/89/572425989.db2.gz ULSSRDOWMCHSFT-LLVKDONJSA-N 2 0 196.338 2.230 10 0 AEAERP CC(C)[NH2+]C1=CCCC[C@H]1C[NH+](C)C 196630375 572426516 /nfs/dbraw/zinc/42/65/16/572426516.db2.gz ULSSRDOWMCHSFT-NSHDSACASA-N 2 0 196.338 2.230 10 0 AEAERP C(CCC[NH2+]C1CC1)CC[NH2+]C1CC1 83824374 572430653 /nfs/dbraw/zinc/43/06/53/572430653.db2.gz FICYAMDRYPCRME-UHFFFAOYSA-N 2 0 196.338 2.051 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H]([NH3+])C1 222732477 572430699 /nfs/dbraw/zinc/43/06/99/572430699.db2.gz GEWNJXPRJZRJHB-TUAOUCFPSA-N 2 0 198.354 2.425 10 0 AEAERP C[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1(C)CC1 87365083 572433800 /nfs/dbraw/zinc/43/38/00/572433800.db2.gz LDOKMFFAFZLNQQ-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)(C)CC(C)(C)[NH2+]CC1([NH3+])CC1 83837242 572433805 /nfs/dbraw/zinc/43/38/05/572433805.db2.gz LVWCNXFDWAQBRZ-UHFFFAOYSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[N@H+](CCC[NH3+])CC1CCC1 83838127 572433871 /nfs/dbraw/zinc/43/38/71/572433871.db2.gz KXQMEAPMXILJNY-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1(C)CC1 87365085 572433932 /nfs/dbraw/zinc/43/39/32/572433932.db2.gz LDOKMFFAFZLNQQ-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H]([NH3+])[C@@H]1CCC[C@@]1([NH3+])CCC 238240409 572435383 /nfs/dbraw/zinc/43/53/83/572435383.db2.gz VUGFYJSLEFZTFN-SRVKXCTJSA-N 2 0 198.354 2.412 10 0 AEAERP CC(C)[NH2+]CCCC[NH2+]CCC1CC1 83895422 572435745 /nfs/dbraw/zinc/43/57/45/572435745.db2.gz OHECKIZMHSMFSQ-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)(C)[NH2+]CCC[NH2+]CCC1CC1 83895423 572435751 /nfs/dbraw/zinc/43/57/51/572435751.db2.gz XARZOICYBBOXES-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH+](C)CCC[C@H]([NH3+])C1CCCCC1 74236801 572436707 /nfs/dbraw/zinc/43/67/07/572436707.db2.gz UQSYLCDHIAMNJO-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]([C@@H](C)CCC[NH3+])[NH+]1CCCC1 74236763 572436873 /nfs/dbraw/zinc/43/68/73/572436873.db2.gz KUDGDDBFYKZBOO-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH+](C)CCCC1([NH3+])CCCCCC1 74236611 572436924 /nfs/dbraw/zinc/43/69/24/572436924.db2.gz FJOORTICMLULOR-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC(C)C[C@@H]([NH3+])CCC[NH+]1CCCC1 74236614 572436965 /nfs/dbraw/zinc/43/69/65/572436965.db2.gz ILAGPHMPVXKBQD-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@H]([NH3+])[C@@H](C)[NH+]1CCCCC1 74236637 572437782 /nfs/dbraw/zinc/43/77/82/572437782.db2.gz AEHLWLGVZSBUID-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+](CC)[C@@H]1CCC[C@@H]1CCC[NH3+] 74236773 572437420 /nfs/dbraw/zinc/43/74/20/572437420.db2.gz RIUCVTAMPZYPFD-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@H]([NH3+])CCC[NH+]1CCCC1 74236613 572437444 /nfs/dbraw/zinc/43/74/44/572437444.db2.gz ILAGPHMPVXKBQD-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH+](C)CCC[C@@H]([NH3+])C1CCCCC1 74236804 572438039 /nfs/dbraw/zinc/43/80/39/572438039.db2.gz UQSYLCDHIAMNJO-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1[C@H](C[NH3+])CC[N@@H+]1CC(C)(C)C 713248719 572437524 /nfs/dbraw/zinc/43/75/24/572437524.db2.gz AEFBEKHZAAZFDK-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC(C)C 74236598 572437581 /nfs/dbraw/zinc/43/75/81/572437581.db2.gz SCPZTWRWJRQEJZ-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](CCC[NH+](C)C)C1 74236754 572437690 /nfs/dbraw/zinc/43/76/90/572437690.db2.gz RZOXJJLKRKLKBR-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CC[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH3+] 74236799 572437817 /nfs/dbraw/zinc/43/78/17/572437817.db2.gz PTMZIYDHCWZIIF-QJPTWQEYSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H]([C@H](C)CCC[NH3+])[NH+]1CCCC1 74236765 572437835 /nfs/dbraw/zinc/43/78/35/572437835.db2.gz KUDGDDBFYKZBOO-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@H]([NH3+])[C@H]1CCC[N@H+](C)CC1 74236606 572437843 /nfs/dbraw/zinc/43/78/43/572437843.db2.gz OGVYMJWYFMPQIR-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]([NH3+])[C@@H](C)[C@H](CC)[NH+]1CCCC1 74236683 572437853 /nfs/dbraw/zinc/43/78/53/572437853.db2.gz XUZLAQJGHYZFII-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@H]([NH3+])[C@@H]1CCC[N@H+](C)CC1 74236600 572438168 /nfs/dbraw/zinc/43/81/68/572438168.db2.gz OGVYMJWYFMPQIR-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C)CC1 74236603 572438203 /nfs/dbraw/zinc/43/82/03/572438203.db2.gz OGVYMJWYFMPQIR-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](CC[NH3+])[NH+]1CCCCCC1 74236624 572440063 /nfs/dbraw/zinc/44/00/63/572440063.db2.gz SGJMSDSKJMYTGN-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CC[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH3+] 74236797 572438229 /nfs/dbraw/zinc/43/82/29/572438229.db2.gz PTMZIYDHCWZIIF-IJLUTSLNSA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH+](CC)[C@H]1CCC[C@H]1CCC[NH3+] 74236780 572438275 /nfs/dbraw/zinc/43/82/75/572438275.db2.gz RIUCVTAMPZYPFD-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)[C@H]1CCC[C@@H]1CCC[NH3+] 74236776 572438640 /nfs/dbraw/zinc/43/86/40/572438640.db2.gz RIUCVTAMPZYPFD-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@H+](C)C[C@H]([NH3+])CC1CCCC1 74236806 572438644 /nfs/dbraw/zinc/43/86/44/572438644.db2.gz QGUDTTQIXMLBOD-GFCCVEGCSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH+](C)CCC[C@H]([NH3+])c1ccsc1 74236882 572438722 /nfs/dbraw/zinc/43/87/22/572438722.db2.gz SUPRHFJFRCHCNT-JTQLQIEISA-N 2 0 198.335 2.090 10 0 AEAERP CC[NH+](CC)[C@@H]1CCC[C@H]1CCC[NH3+] 74236779 572438744 /nfs/dbraw/zinc/43/87/44/572438744.db2.gz RIUCVTAMPZYPFD-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CC[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH3+] 74236794 572438810 /nfs/dbraw/zinc/43/88/10/572438810.db2.gz PTMZIYDHCWZIIF-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H]([C@H](C)[C@H]([NH3+])CC)[NH+]1CCCC1 74236681 572438900 /nfs/dbraw/zinc/43/89/00/572438900.db2.gz XUZLAQJGHYZFII-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](CCCC[NH3+])[NH+]1CCCCCC1 74236769 572438972 /nfs/dbraw/zinc/43/89/72/572438972.db2.gz XTWSWUHGDUWWQG-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP C[NH+](C)CCC[C@@H]([NH3+])c1ccsc1 74236883 572439114 /nfs/dbraw/zinc/43/91/14/572439114.db2.gz SUPRHFJFRCHCNT-SNVBAGLBSA-N 2 0 198.335 2.090 10 0 AEAERP CC(C)C[C@@H](C)[NH+]1CCC(C[NH3+])CC1 44511627 572440610 /nfs/dbraw/zinc/44/06/10/572440610.db2.gz LQVLTDOUBPBVKS-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]([C@@H](C)CCC[NH3+])[NH+]1CCCC1 74236764 572439231 /nfs/dbraw/zinc/43/92/31/572439231.db2.gz KUDGDDBFYKZBOO-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)[C@H](CC[NH3+])C1CCCC1 74236618 572439337 /nfs/dbraw/zinc/43/93/37/572439337.db2.gz SBVPSBXSAHACNR-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@@H]([NH3+])[C@@H](C)[NH+]1CCCCC1 74236641 572439419 /nfs/dbraw/zinc/43/94/19/572439419.db2.gz AEHLWLGVZSBUID-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1[C@H](C[NH3+])CC[N@@H+]1CC(C)(C)C 713248732 572439591 /nfs/dbraw/zinc/43/95/91/572439591.db2.gz AEFBEKHZAAZFDK-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH+](C)CCC[C@H]1CCCCC[C@@H]1[NH3+] 74236741 572439688 /nfs/dbraw/zinc/43/96/88/572439688.db2.gz CIPGQKVKWGIADH-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH+](C)CCC[C@H]1CCCCC[C@H]1[NH3+] 74236746 572439734 /nfs/dbraw/zinc/43/97/34/572439734.db2.gz CIPGQKVKWGIADH-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](CCCC[NH3+])[NH+]1CCCCCC1 74236772 572439858 /nfs/dbraw/zinc/43/98/58/572439858.db2.gz XTWSWUHGDUWWQG-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP C[NH+](C)CCC[C@@H]1CCCCC[C@@H]1[NH3+] 74236738 572439864 /nfs/dbraw/zinc/43/98/64/572439864.db2.gz CIPGQKVKWGIADH-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@@H](CC[NH3+])[NH+]1CCCCCC1 74236621 572440018 /nfs/dbraw/zinc/44/00/18/572440018.db2.gz SGJMSDSKJMYTGN-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)[C@@H](CC[NH3+])C1CCCC1 74236616 572440347 /nfs/dbraw/zinc/44/03/47/572440347.db2.gz SBVPSBXSAHACNR-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@@H]([NH3+])[C@H](C)[NH+]1CCCCC1 74236651 572440365 /nfs/dbraw/zinc/44/03/65/572440365.db2.gz AEHLWLGVZSBUID-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])[C@H](C)CC(C)(C)CCC[NH3+] 238803953 572440446 /nfs/dbraw/zinc/44/04/46/572440446.db2.gz GYPBUOTWHLDLNI-ZJUUUORDSA-N 2 0 186.343 2.125 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)CC(C)(C)CCC[NH3+] 238803090 572441058 /nfs/dbraw/zinc/44/10/58/572441058.db2.gz GYPBUOTWHLDLNI-UWVGGRQHSA-N 2 0 186.343 2.125 10 0 AEAERP CC(C)CC[NH2+][C@H]1CCCCN(C)C1 76637690 572441993 /nfs/dbraw/zinc/44/19/93/572441993.db2.gz YVUGWZRCILMKPZ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1[C@@H](C[NH3+])CC[N@@H+]1CC(C)(C)C 713248705 572441523 /nfs/dbraw/zinc/44/15/23/572441523.db2.gz AEFBEKHZAAZFDK-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP [NH3+]C1(C[NH2+]CCC2CC2)CCCCC1 83895458 572441924 /nfs/dbraw/zinc/44/19/24/572441924.db2.gz DBNULOAADDQZBM-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP CC(C)CC[NH2+][C@@H]1CCCCN(C)C1 76637688 572442159 /nfs/dbraw/zinc/44/21/59/572442159.db2.gz YVUGWZRCILMKPZ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP [NH3+]C1(CC[NH2+]CCC2CC2)CCCC1 83895305 572442470 /nfs/dbraw/zinc/44/24/70/572442470.db2.gz IAOUFHYDGZOKGS-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP C[C@@H](CC[NH3+])CCC[NH2+]CCC1CC1 83895339 572442508 /nfs/dbraw/zinc/44/25/08/572442508.db2.gz SEYLOOMIGACEAD-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP C[N@@H+]1CCC(C)(C)CC[C@H]1CCC[NH3+] 76637701 572442608 /nfs/dbraw/zinc/44/26/08/572442608.db2.gz INYHDDATLSERHJ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+]CCC1CC1 83895338 572442783 /nfs/dbraw/zinc/44/27/83/572442783.db2.gz SEYLOOMIGACEAD-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CCC[C@H]([NH3+])[C@H]1CCC[C@@]1([NH3+])CCC 238241133 572442988 /nfs/dbraw/zinc/44/29/88/572442988.db2.gz VUGFYJSLEFZTFN-WOPDTQHZSA-N 2 0 198.354 2.412 10 0 AEAERP C[N@@H+]1CCC(C)(C)CC[C@@H]1CCC[NH3+] 76637698 572444076 /nfs/dbraw/zinc/44/40/76/572444076.db2.gz INYHDDATLSERHJ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)([NH3+])C(C)(C)C[NH2+]CCC1CC1 83895314 572444124 /nfs/dbraw/zinc/44/41/24/572444124.db2.gz YNJFZJYAHOGMFC-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP [NH3+]CCCCCCC[NH2+]CCC1CC1 83895326 572444304 /nfs/dbraw/zinc/44/43/04/572444304.db2.gz HGWXTNCGDIKVIU-UHFFFAOYSA-N 2 0 198.354 2.285 10 0 AEAERP C[C@H]([N@H+](C)C[C@H](N)C1CC1)C(C)(C)C 68896096 572446724 /nfs/dbraw/zinc/44/67/24/572446724.db2.gz FTMHGXNVCIUBTL-ONGXEEELSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@H](C[NH3+])CC[NH+]1CCCC1 83863070 572446737 /nfs/dbraw/zinc/44/67/37/572446737.db2.gz BQVKRLAWIAMDOR-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCCCC[C@H]1C[C@H](C[NH+](C)C)C[NH2+]1 238242690 572447027 /nfs/dbraw/zinc/44/70/27/572447027.db2.gz BJVAKHOBZPEQOS-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@H](C[NH3+])CC[N@H+](C)C1CC1 83863141 572447445 /nfs/dbraw/zinc/44/74/45/572447445.db2.gz DEZSOWUCVHZGBO-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)C[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 83865133 572447556 /nfs/dbraw/zinc/44/75/56/572447556.db2.gz VAHCPBUPHXPPMS-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)C[C@H](C)[NH+]1CCC([NH3+])CC1 83865108 572448308 /nfs/dbraw/zinc/44/83/08/572448308.db2.gz UJLNVGDKNOJZAE-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 83865131 572448373 /nfs/dbraw/zinc/44/83/73/572448373.db2.gz VAHCPBUPHXPPMS-QJPTWQEYSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@@H](C[NH3+])CC[NH2+]C1CCC1 83863332 572448440 /nfs/dbraw/zinc/44/84/40/572448440.db2.gz SJSCCCLTUQYIMJ-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CCCCCC[NH2+]CCC=[NH2+] 238241569 572448551 /nfs/dbraw/zinc/44/85/51/572448551.db2.gz GAYFRWSHCWGRBT-UHFFFAOYSA-N 2 0 156.273 2.196 10 0 AEAERP CC[C@@H](C)C[C@@H](C)[NH+]1CCC([NH3+])CC1 83865106 572449068 /nfs/dbraw/zinc/44/90/68/572449068.db2.gz UJLNVGDKNOJZAE-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[C@H](C)[NH+]1CCC([NH3+])CC1 83865109 572449134 /nfs/dbraw/zinc/44/91/34/572449134.db2.gz UJLNVGDKNOJZAE-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[C@@H](C)[NH+]1CCC([NH3+])CC1 83865107 572449245 /nfs/dbraw/zinc/44/92/45/572449245.db2.gz UJLNVGDKNOJZAE-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@@H](C[NH3+])CC[NH+]1CCCC1 83863072 572449449 /nfs/dbraw/zinc/44/94/49/572449449.db2.gz BQVKRLAWIAMDOR-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)C[C@@H](C[NH3+])CC[N@H+](C)C1CC1 83863143 572449452 /nfs/dbraw/zinc/44/94/52/572449452.db2.gz DEZSOWUCVHZGBO-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[C@H]1C[C@@H](C[NH+](C)C)C[NH2+]1 238242263 572450301 /nfs/dbraw/zinc/45/03/01/572450301.db2.gz BJVAKHOBZPEQOS-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@H](C[NH3+])CC[NH2+]C1CCC1 83863330 572449879 /nfs/dbraw/zinc/44/98/79/572449879.db2.gz SJSCCCLTUQYIMJ-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H]([NH3+])c1ccc(C[NH3+])c(F)c1 238246636 572451438 /nfs/dbraw/zinc/45/14/38/572451438.db2.gz PWADZYVVYDNXNX-NSHDSACASA-N 2 0 196.269 2.084 10 0 AEAERP CC(C)C[N@H+](CCC[NH3+])CCC1CC1 83926207 572455904 /nfs/dbraw/zinc/45/59/04/572455904.db2.gz NNEAPXVWGQWTHT-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]CCCC[NH+]1CCC(C)(C)CC1 61822643 572456940 /nfs/dbraw/zinc/45/69/40/572456940.db2.gz WHFXRMUUIZENNF-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@@H](CC[NH+](CC)CC)[C@H](C)[NH3+] 238262693 572479041 /nfs/dbraw/zinc/47/90/41/572479041.db2.gz YKNHBSKPUQZHHN-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H]1CC[C@@H](C)C[N@H+]1CCCCC[NH3+] 84045112 572479763 /nfs/dbraw/zinc/47/97/63/572479763.db2.gz ONTWHMWTRXWAFA-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CC[C@H](C)[N@H+](CCCCC[NH3+])C1 84045115 572479836 /nfs/dbraw/zinc/47/98/36/572479836.db2.gz ONTWHMWTRXWAFA-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1C[C@@H](C)CC[C@@H]1C 84046489 572480631 /nfs/dbraw/zinc/48/06/31/572480631.db2.gz KLHZNMVPXODYRQ-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1CC[C@@H](C)[N@H+](CCCCC[NH3+])C1 84045124 572481369 /nfs/dbraw/zinc/48/13/69/572481369.db2.gz ONTWHMWTRXWAFA-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1CC[C@@H](C)[N@H+](CCCCC[NH3+])C1 84045119 572481701 /nfs/dbraw/zinc/48/17/01/572481701.db2.gz ONTWHMWTRXWAFA-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1C[C@@H](C)CC[C@H]1C 84046500 572481996 /nfs/dbraw/zinc/48/19/96/572481996.db2.gz KLHZNMVPXODYRQ-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](CC[NH3+])[N@@H+]1C[C@H](C)CC[C@@H]1C 84045151 572482522 /nfs/dbraw/zinc/48/25/22/572482522.db2.gz ZLPMEJSLNFXNLM-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](CN1C[C@H](C)CC[C@@H]1C)[NH2+]C 84046553 572482863 /nfs/dbraw/zinc/48/28/63/572482863.db2.gz IAMBNFRINUXPRP-GRYCIOLGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@H](N)C[N@@H+]1C[C@H](C)CC[C@@H]1C 84046760 572483481 /nfs/dbraw/zinc/48/34/81/572483481.db2.gz PKUNDIRKKWZZIU-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CC[C@@H](C)[N@H+](CCCC[NH3+])C1 238264048 572484058 /nfs/dbraw/zinc/48/40/58/572484058.db2.gz JFDKUPIEUXNYKG-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]CCCC[N@@H+]1C[C@H](C)CC[C@H]1C 84051829 572484895 /nfs/dbraw/zinc/48/48/95/572484895.db2.gz ALXUEHHEVMRHEB-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1C[C@H](C)CC[C@@H]1C 84054290 572485238 /nfs/dbraw/zinc/48/52/38/572485238.db2.gz CXTXPOYBQJTOQB-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CC[C@@H](CC[NH+](C)C)[N@H+](C)C1 238264456 572485967 /nfs/dbraw/zinc/48/59/67/572485967.db2.gz ZPEWXDISMPZYFM-NEPJUHHUSA-N 2 0 198.354 2.059 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1C[C@@H](C)CC[C@H]1C 84054130 572486082 /nfs/dbraw/zinc/48/60/82/572486082.db2.gz JTJUHUARHAZRKS-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1C[C@@H](C)CC[C@@H]1C 84054118 572486659 /nfs/dbraw/zinc/48/66/59/572486659.db2.gz JTJUHUARHAZRKS-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CN(C)C)[NH2+][C@]1(C)CC=CCC1 713963226 572487139 /nfs/dbraw/zinc/48/71/39/572487139.db2.gz QOCNBWXQTMVUIZ-VXGBXAGGSA-N 2 0 196.338 2.025 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1C[C@H](C)CC[C@H]1C 84054125 572487480 /nfs/dbraw/zinc/48/74/80/572487480.db2.gz JTJUHUARHAZRKS-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C 84054114 572487603 /nfs/dbraw/zinc/48/76/03/572487603.db2.gz JTJUHUARHAZRKS-WOPDTQHZSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CCCC[N@@H+]1C[C@@H](C)CC[C@H]1C 84051832 572487712 /nfs/dbraw/zinc/48/77/12/572487712.db2.gz ALXUEHHEVMRHEB-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1C[C@H](C)CC[C@H]1C 84054294 572487770 /nfs/dbraw/zinc/48/77/70/572487770.db2.gz CXTXPOYBQJTOQB-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]CCCC[N@@H+]1C[C@@H](C)CC[C@@H]1C 84051827 572487824 /nfs/dbraw/zinc/48/78/24/572487824.db2.gz ALXUEHHEVMRHEB-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CCCC[N@@H+]1C[C@H](C)CC[C@@H]1C 84051822 572487864 /nfs/dbraw/zinc/48/78/64/572487864.db2.gz ALXUEHHEVMRHEB-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C[NH3+])C[N@@H+]1C[C@H](C)CC[C@@H]1C 84051538 572487954 /nfs/dbraw/zinc/48/79/54/572487954.db2.gz ALWSQGJMUGBREJ-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1CC[C@H](CC[NH+](C)C)[N@H+](C)C1 238265611 572488677 /nfs/dbraw/zinc/48/86/77/572488677.db2.gz ZPEWXDISMPZYFM-VXGBXAGGSA-N 2 0 198.354 2.059 10 0 AEAERP CC[C@@H]1CC[C@H](C)[N@H+](CCCC[NH3+])C1 238265363 572488721 /nfs/dbraw/zinc/48/87/21/572488721.db2.gz JFDKUPIEUXNYKG-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(C)(C)C[N@@H+]1CCC[C@H]1CC[NH3+] 713263467 572490984 /nfs/dbraw/zinc/49/09/84/572490984.db2.gz AYZUKNSLTDPMSX-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC(C)(C)C[N@@H+]1CCC[C@@H]1CC[NH3+] 713263466 572491773 /nfs/dbraw/zinc/49/17/73/572491773.db2.gz AYZUKNSLTDPMSX-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C[C@@H](C)[NH+](CC)CC)[NH2+]C 238270746 572495765 /nfs/dbraw/zinc/49/57/65/572495765.db2.gz UXIHWBPMZTZJCL-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H](C[C@H](C)[NH+](CC)CC)[NH2+]C 238271496 572495772 /nfs/dbraw/zinc/49/57/72/572495772.db2.gz UXIHWBPMZTZJCL-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1C(C)C 84127824 572496784 /nfs/dbraw/zinc/49/67/84/572496784.db2.gz KBAKXXGJCQIJRL-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@@H+]1CCCC[C@H]1C[C@H]1CCCC[NH2+]1 250612778 572496813 /nfs/dbraw/zinc/49/68/13/572496813.db2.gz NCGDBIZHKILOON-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[C@@H]1CCC[N@@H+]1CCC(C)(C)[NH3+] 84127135 572497543 /nfs/dbraw/zinc/49/75/43/572497543.db2.gz AXZASAKHCNDOGX-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CNC(C)(C)C[N@@H+]1CCC[C@H]1C(C)C 84126900 572497868 /nfs/dbraw/zinc/49/78/68/572497868.db2.gz DCXOFOMFZBCGKC-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)CCC[NH3+] 84127856 572497929 /nfs/dbraw/zinc/49/79/29/572497929.db2.gz YOLGORBWYCOJPM-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CNC(C)(C)C[N@@H+]1CCC[C@@H]1C(C)C 84126902 572497996 /nfs/dbraw/zinc/49/79/96/572497996.db2.gz DCXOFOMFZBCGKC-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CCCC[N@@H+]1CCC[C@H]1C(C)C 84127006 572499011 /nfs/dbraw/zinc/49/90/11/572499011.db2.gz IVTZFMVGECNHFE-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@H](C)N1CCC[C@@H]1C(C)C 84127729 572499432 /nfs/dbraw/zinc/49/94/32/572499432.db2.gz NPIIMZNFYXPZMD-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@@H+]1CCCC[C@@H]1C[C@H]1CCCC[NH2+]1 250612780 572499497 /nfs/dbraw/zinc/49/94/97/572499497.db2.gz NCGDBIZHKILOON-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[C@H]1CCC[N@@H+]1CCC(C)(C)[NH3+] 84127137 572499646 /nfs/dbraw/zinc/49/96/46/572499646.db2.gz AXZASAKHCNDOGX-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]CCCC[N@@H+]1CCC[C@@H]1C(C)C 84127009 572499669 /nfs/dbraw/zinc/49/96/69/572499669.db2.gz IVTZFMVGECNHFE-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@H]1CCC[N@@H+]1CC(C)(C)C[NH3+] 84127537 572499860 /nfs/dbraw/zinc/49/98/60/572499860.db2.gz VBUSXBDEKAKSBK-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C[NH3+])C[N@@H+]1CCC[C@@H]1C(C)C 84126878 572499904 /nfs/dbraw/zinc/49/99/04/572499904.db2.gz DPMNPZRKZFLNRL-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[N@@H+](C2CCCCC2)CCCN1 62567954 572500382 /nfs/dbraw/zinc/50/03/82/572500382.db2.gz UNYYMGCMDMAEIK-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC1(C)CNCCC[N@@H+]1C1CCCC1 62567950 572500854 /nfs/dbraw/zinc/50/08/54/572500854.db2.gz CZPZZTOBHZKIOY-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@@H+]1CCCC[C@H]1CC[C@H]1CCC[NH2+]1 250641115 572501116 /nfs/dbraw/zinc/50/11/16/572501116.db2.gz TWUGGLGCARWUFR-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+]C[C@@H](C)N1CCC[C@@H]1C(C)C 84127727 572501138 /nfs/dbraw/zinc/50/11/38/572501138.db2.gz NPIIMZNFYXPZMD-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@@H+]1CCCC[C@@H]1CC[C@H]1CCC[NH2+]1 250641119 572501447 /nfs/dbraw/zinc/50/14/47/572501447.db2.gz TWUGGLGCARWUFR-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[C@@H]1CCC[N@@H+]1CC(C)(C)C[NH3+] 84127535 572501520 /nfs/dbraw/zinc/50/15/20/572501520.db2.gz VBUSXBDEKAKSBK-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H]1CCC[N@@H+]1[C@@H](C)CCC[NH3+] 84127859 572501715 /nfs/dbraw/zinc/50/17/15/572501715.db2.gz YOLGORBWYCOJPM-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H]1C(C)C 84125863 572502095 /nfs/dbraw/zinc/50/20/95/572502095.db2.gz OLOGWUDBVSOXLY-GFCCVEGCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)C[N@@H+]1CCC[C@H]([NH3+])CC1 713267558 572502186 /nfs/dbraw/zinc/50/21/86/572502186.db2.gz MSEDBNDRLWYZMD-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1C[N@@H+](C2CCCCC2)CCCN1 62567952 572502258 /nfs/dbraw/zinc/50/22/58/572502258.db2.gz UNYYMGCMDMAEIK-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[NH2+]CC[N@@H+]1CCC[C@H]1C(C)C 84125860 572502893 /nfs/dbraw/zinc/50/28/93/572502893.db2.gz OLOGWUDBVSOXLY-LBPRGKRZSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[C@@H]1CCC[N@@H+]1CCCCC[NH3+] 84125262 572503312 /nfs/dbraw/zinc/50/33/12/572503312.db2.gz VIIWYHDJYKBPTQ-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@H]1C(C)C 84125774 572503802 /nfs/dbraw/zinc/50/38/02/572503802.db2.gz ULGSJZPFRNYVAD-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]CCC[N@@H+]1CCC[C@@H]1C(C)C 84125669 572503660 /nfs/dbraw/zinc/50/36/60/572503660.db2.gz QZLMTZNIXVYIIF-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CCC[N@@H+]1CCC[C@H]1C(C)C 84125670 572503887 /nfs/dbraw/zinc/50/38/87/572503887.db2.gz QZLMTZNIXVYIIF-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@@H]1CCC[N@H+]1CCC[C@@H](C)[NH3+] 84125595 572503926 /nfs/dbraw/zinc/50/39/26/572503926.db2.gz UKXZMORVZKCSOO-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@H]1CCC[N@@H+]1CCCCC[NH3+] 84125263 572503971 /nfs/dbraw/zinc/50/39/71/572503971.db2.gz VIIWYHDJYKBPTQ-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@@H]1C(C)C 84125776 572504344 /nfs/dbraw/zinc/50/43/44/572504344.db2.gz ULGSJZPFRNYVAD-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)CC 238276073 572504954 /nfs/dbraw/zinc/50/49/54/572504954.db2.gz PHCADEQFFHIPKN-BRQSLIGTSA-N 2 0 198.354 2.319 10 0 AEAERP CC[C@@H]1CC[C@H]([N@H+](C)CCC[NH2+]C)C1 87472187 572505979 /nfs/dbraw/zinc/50/59/79/572505979.db2.gz MCMNAKLZAYLKJQ-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@@H](CN)CC1CCCCC1 87473537 572505176 /nfs/dbraw/zinc/50/51/76/572505176.db2.gz ROKQECWPUFWSMI-GFCCVEGCSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)([NH3+])C[NH2+]C1(C)CCCCC1 45047242 572505203 /nfs/dbraw/zinc/50/52/03/572505203.db2.gz SNSQRSLKPYJXDG-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP NC[C@@H](CC1CCCCC1)[NH2+]C1CC1 87473541 572505340 /nfs/dbraw/zinc/50/53/40/572505340.db2.gz QHNQXVPGFUQQHV-GFCCVEGCSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H]1CC[C@@H]([N@H+](C)CCC[NH2+]C)C1 87472190 572505745 /nfs/dbraw/zinc/50/57/45/572505745.db2.gz MCMNAKLZAYLKJQ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CC[C@H]([N@H+](C)CCC[NH2+]C)C1 87472188 572505850 /nfs/dbraw/zinc/50/58/50/572505850.db2.gz MCMNAKLZAYLKJQ-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CCC[N@H+](C)[C@@H](C)C1CCCC1 87472398 572506205 /nfs/dbraw/zinc/50/62/05/572506205.db2.gz UUWYCEPKBQVGFU-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[NH2+]C/C=C/C[NH2+][C@H](C)CC 238276082 572506905 /nfs/dbraw/zinc/50/69/05/572506905.db2.gz PHCADEQFFHIPKN-GRPTYIHUSA-N 2 0 198.354 2.319 10 0 AEAERP CC(C)[NH2+][C@@H](CN)CC1CCCCC1 87473539 572506977 /nfs/dbraw/zinc/50/69/77/572506977.db2.gz SYVHUCTVZWAMFM-GFCCVEGCSA-N 2 0 198.354 2.282 10 0 AEAERP NC[C@H](CC1CCCCC1)[NH2+]C1CC1 87473540 572507023 /nfs/dbraw/zinc/50/70/23/572507023.db2.gz QHNQXVPGFUQQHV-LBPRGKRZSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@@H](CC[NH3+])[N@H+](C)CC(C)(C)C 45068641 572507797 /nfs/dbraw/zinc/50/77/97/572507797.db2.gz CNXNACWOVJCPRN-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+]CCC[N@H+](C)[C@H]1CCCC1(C)C 87472290 572507824 /nfs/dbraw/zinc/50/78/24/572507824.db2.gz LWHQWQLZUKMPCM-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@H](CN)CC1CCCCC1 87473536 572508028 /nfs/dbraw/zinc/50/80/28/572508028.db2.gz ROKQECWPUFWSMI-LBPRGKRZSA-N 2 0 198.354 2.284 10 0 AEAERP C[NH2+]CCC[N@H+](C)[C@@H]1CCCC1(C)C 87472291 572508179 /nfs/dbraw/zinc/50/81/79/572508179.db2.gz LWHQWQLZUKMPCM-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[NH2+][C@H](CN)CC1CCCCC1 87473538 572508197 /nfs/dbraw/zinc/50/81/97/572508197.db2.gz SYVHUCTVZWAMFM-LBPRGKRZSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]1CC[C@@H]([N@H+](C)CCC[NH2+]C)C1 87472189 572508417 /nfs/dbraw/zinc/50/84/17/572508417.db2.gz MCMNAKLZAYLKJQ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84215423 572510916 /nfs/dbraw/zinc/51/09/16/572510916.db2.gz JJZLJKNHVOSMKH-PWSUYJOCSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(CC)[NH2+][C@H]1CCCC[C@H]1C[NH3+] 84215426 572511727 /nfs/dbraw/zinc/51/17/27/572511727.db2.gz JJZLJKNHVOSMKH-JQWIXIFHSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84215422 572512952 /nfs/dbraw/zinc/51/29/52/572512952.db2.gz JJZLJKNHVOSMKH-ZYHUDNBSSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(CC)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 84215424 572513811 /nfs/dbraw/zinc/51/38/11/572513811.db2.gz JJZLJKNHVOSMKH-CMPLNLGQSA-N 2 0 198.354 2.282 10 0 AEAERP CC1(C)C[C@H]1[NH2+]CC1([NH3+])CCCCC1 45137870 572514913 /nfs/dbraw/zinc/51/49/13/572514913.db2.gz LJXGJYVBSNGXCD-SNVBAGLBSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)(C)C[C@@H]([NH3+])CCn1ccnc1 713270080 572515585 /nfs/dbraw/zinc/51/55/85/572515585.db2.gz ASFYHXCUCWXHIZ-JTQLQIEISA-N 2 0 195.310 2.037 10 0 AEAERP CC1(C)C[C@@H]1[NH2+]CC1([NH3+])CCCCC1 45137867 572515651 /nfs/dbraw/zinc/51/56/51/572515651.db2.gz LJXGJYVBSNGXCD-JTQLQIEISA-N 2 0 196.338 2.036 10 0 AEAERP CCCC[N@@H+]1CCC[C@@H](C[NH2+]CC)C1 53653983 572515985 /nfs/dbraw/zinc/51/59/85/572515985.db2.gz XGFZQZYMTYTGDV-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCCC[N@@H+]1CCC[C@H](C[NH2+]CC)C1 53653980 572516376 /nfs/dbraw/zinc/51/63/76/572516376.db2.gz XGFZQZYMTYTGDV-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@@H](C[C@H](C)[NH+](CC)CC)[NH2+]C 238280998 572516475 /nfs/dbraw/zinc/51/64/75/572516475.db2.gz UXIHWBPMZTZJCL-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H](C)[NH2+][C@@H](C)CC(C)(C)[NH2+]C 238281194 572516734 /nfs/dbraw/zinc/51/67/34/572516734.db2.gz QHBOZSJNSYOXJS-UWVGGRQHSA-N 2 0 186.343 2.151 10 0 AEAERP C[N@@H+]1CCC[C@@H]([NH3+])[C@H](CC(C)(C)C)C1 250692108 572517668 /nfs/dbraw/zinc/51/76/68/572517668.db2.gz KIJPCPDWBCAXIN-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@@H+]1CCC[C@@H]([NH3+])[C@@H](CC(C)(C)C)C1 250692112 572518124 /nfs/dbraw/zinc/51/81/24/572518124.db2.gz KIJPCPDWBCAXIN-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H]1CCC[NH3+] 250687401 572518136 /nfs/dbraw/zinc/51/81/36/572518136.db2.gz HOKILIBYQXRSPE-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H]1CCC[NH3+] 250687403 572520612 /nfs/dbraw/zinc/52/06/12/572520612.db2.gz HOKILIBYQXRSPE-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)C[C@H]1CCCC[C@H]1C[NH3+] 84302737 572524151 /nfs/dbraw/zinc/52/41/51/572524151.db2.gz VYVGFSDZXMYPBZ-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[NH2+]C[C@@H]1CCCC[C@H]1C[NH3+] 84303357 572524192 /nfs/dbraw/zinc/52/41/92/572524192.db2.gz YFUJGSVYWLFESH-RYUDHWBXSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C[NH3+] 84303249 572524744 /nfs/dbraw/zinc/52/47/44/572524744.db2.gz IYEPHDVSLMGMCS-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] 84303194 572524911 /nfs/dbraw/zinc/52/49/11/572524911.db2.gz YAALHNXAWWTYQQ-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCCC[C@H]1C[NH3+] 84302733 572525330 /nfs/dbraw/zinc/52/53/30/572525330.db2.gz VYVGFSDZXMYPBZ-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@H+](C)C[C@H]1CCCC[C@@H]1C[NH3+] 84302984 572525384 /nfs/dbraw/zinc/52/53/84/572525384.db2.gz WVXRRTMOXMVOKU-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[N@H+](C)C[C@@H]1CCCC[C@@H]1C[NH3+] 84302835 572525822 /nfs/dbraw/zinc/52/58/22/572525822.db2.gz TZOIEVRHLRLBBK-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@H+](C)C[C@H]1CCCC[C@@H]1C[NH3+] 84302842 572526158 /nfs/dbraw/zinc/52/61/58/572526158.db2.gz TZOIEVRHLRLBBK-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] 84303244 572526351 /nfs/dbraw/zinc/52/63/51/572526351.db2.gz IYEPHDVSLMGMCS-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1C[NH3+] 84303208 572526369 /nfs/dbraw/zinc/52/63/69/572526369.db2.gz YAALHNXAWWTYQQ-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH+](CC)C[C@H]1CCCC[C@@H]1C[NH3+] 84302729 572526418 /nfs/dbraw/zinc/52/64/18/572526418.db2.gz VYVGFSDZXMYPBZ-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1C[NH3+] 84303200 572526504 /nfs/dbraw/zinc/52/65/04/572526504.db2.gz YAALHNXAWWTYQQ-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] 84303346 572526678 /nfs/dbraw/zinc/52/66/78/572526678.db2.gz YFUJGSVYWLFESH-NEPJUHHUSA-N 2 0 198.354 2.141 10 0 AEAERP CCCC[NH2+]C[C@H]1CCCC[C@@H]1C[NH3+] 84303352 572526820 /nfs/dbraw/zinc/52/68/20/572526820.db2.gz YFUJGSVYWLFESH-VXGBXAGGSA-N 2 0 198.354 2.141 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1C[NH3+] 84302725 572527139 /nfs/dbraw/zinc/52/71/39/572527139.db2.gz VYVGFSDZXMYPBZ-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1C[NH3+] 84303204 572527627 /nfs/dbraw/zinc/52/76/27/572527627.db2.gz YAALHNXAWWTYQQ-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[N@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311571 572528027 /nfs/dbraw/zinc/52/80/27/572528027.db2.gz RQLHRINCIRRFTG-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@H+](CC)C[C@@H]1CCC[C@@H]1C[NH3+] 84311719 572528372 /nfs/dbraw/zinc/52/83/72/572528372.db2.gz DJNODQXRBLNLEK-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@H+](C)C[C@H]1CCC[C@@H]1C[NH3+] 84311573 572528579 /nfs/dbraw/zinc/52/85/79/572528579.db2.gz RQLHRINCIRRFTG-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](C[C@@H]1CCC[C@@H]1C[NH3+])C(C)C 84311699 572529211 /nfs/dbraw/zinc/52/92/11/572529211.db2.gz NZBHTFNFTLKLQW-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](C[C@H]1CCC[C@@H]1C[NH3+])C(C)C 84311703 572529006 /nfs/dbraw/zinc/52/90/06/572529006.db2.gz NZBHTFNFTLKLQW-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)C[N@H+](C)[C@@H](C)CC(N)=[NH2+] 63092208 572529561 /nfs/dbraw/zinc/52/95/61/572529561.db2.gz GEUUFZDGGWIVKT-UWVGGRQHSA-N 2 0 199.342 2.069 10 0 AEAERP CCC[N@H+](CC)C[C@H]1CCC[C@@H]1C[NH3+] 84311722 572530368 /nfs/dbraw/zinc/53/03/68/572530368.db2.gz DJNODQXRBLNLEK-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](CC(N)=[NH2+])[N@H+](C)CCC(C)(C)C 63092182 572530797 /nfs/dbraw/zinc/53/07/97/572530797.db2.gz PZSHBOCZFBLXKH-VIFPVBQESA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311751 572531269 /nfs/dbraw/zinc/53/12/69/572531269.db2.gz FIFKNBGXEGINIE-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@@H+]1CC[C@@H](CC(C)(C)C)[C@@H]1CC[NH3+] 250723672 572531471 /nfs/dbraw/zinc/53/14/71/572531471.db2.gz WMRIYGADSLPKEA-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@@H+]1CC[C@H](CC(C)(C)C)[C@@H]1CC[NH3+] 250723665 572531929 /nfs/dbraw/zinc/53/19/29/572531929.db2.gz WMRIYGADSLPKEA-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 252713792 572534411 /nfs/dbraw/zinc/53/44/11/572534411.db2.gz QFDGQRZZSSLLEY-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CC(C)(C)[NH2+]CCC(C)C 313209985 572535265 /nfs/dbraw/zinc/53/52/65/572535265.db2.gz MYLCDNVUAOMLJA-UHFFFAOYSA-N 2 0 186.343 2.010 10 0 AEAERP CC1(C)CCCC[N@@H+]1[C@@H]1CC[C@@H]([NH3+])C1 250777702 572535915 /nfs/dbraw/zinc/53/59/15/572535915.db2.gz AVZSGGYIKGZBEB-GHMZBOCLSA-N 2 0 196.338 2.131 10 0 AEAERP CC(C)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 63188275 572535998 /nfs/dbraw/zinc/53/59/98/572535998.db2.gz OJCSHBGJQZJKJD-NWDGAFQWSA-N 2 0 196.338 2.001 10 0 AEAERP CC1(C)CCCC[N@@H+]1[C@H]1CC[C@@H]([NH3+])C1 250777705 572536602 /nfs/dbraw/zinc/53/66/02/572536602.db2.gz AVZSGGYIKGZBEB-MNOVXSKESA-N 2 0 196.338 2.131 10 0 AEAERP CCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C 252713793 572536837 /nfs/dbraw/zinc/53/68/37/572536837.db2.gz QFDGQRZZSSLLEY-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C)C[C@]1(C[NH3+])CCC[C@H](C)C1 84346350 572537911 /nfs/dbraw/zinc/53/79/11/572537911.db2.gz ODQHDCWOROUOOL-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C(C)C 84384671 572538278 /nfs/dbraw/zinc/53/82/78/572538278.db2.gz XLTOQLDIRLTOPA-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)CC[C@@H]1CC[NH2+]C1 84384718 572538762 /nfs/dbraw/zinc/53/87/62/572538762.db2.gz XPTYJSUYJHJOLX-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CC1CCC(C[NH2+]CCCC[NH3+])CC1 84339295 572538942 /nfs/dbraw/zinc/53/89/42/572538942.db2.gz IOKCGUSKYUXOCB-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CCC[N@H+](CC[C@H]1CC[NH2+]C1)C(C)C 84384674 572539001 /nfs/dbraw/zinc/53/90/01/572539001.db2.gz XLTOQLDIRLTOPA-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CC(C)(C)[NH2+]CC(C)(C)C 313213292 572539044 /nfs/dbraw/zinc/53/90/44/572539044.db2.gz SNTUCIYKXIXRFW-UHFFFAOYSA-N 2 0 186.343 2.010 10 0 AEAERP CC[N@H+](C)C[C@@]1(C[NH3+])CCC[C@H](C)C1 84346354 572539077 /nfs/dbraw/zinc/53/90/77/572539077.db2.gz ODQHDCWOROUOOL-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCCCC[N@H+](C)CC[C@H]1CC[NH2+]C1 84384721 572539112 /nfs/dbraw/zinc/53/91/12/572539112.db2.gz XPTYJSUYJHJOLX-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CCC(C)(C)[N@H+](C)CC[C@@H]1CC[NH2+]C1 84386019 572539419 /nfs/dbraw/zinc/53/94/19/572539419.db2.gz VKAINHQBVKDRBG-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@H+](C)CC[C@@H]1CC[NH2+]C1 84384834 572539525 /nfs/dbraw/zinc/53/95/25/572539525.db2.gz UDTBRTZMJBYQBC-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C)CC1(C[NH3+])CCC(C)CC1 84339839 572539546 /nfs/dbraw/zinc/53/95/46/572539546.db2.gz KJMXONDTDQAGKW-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CCC(CC)[N@H+](C)CC[C@H]1CC[NH2+]C1 84384837 572539819 /nfs/dbraw/zinc/53/98/19/572539819.db2.gz UDTBRTZMJBYQBC-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H](N)C[N@@H+]1CCCC[C@H]1C(C)(C)C 251072171 572540246 /nfs/dbraw/zinc/54/02/46/572540246.db2.gz FQYTXQJFPURTPW-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](N)C[N@@H+]1CCCC[C@H]1C(C)(C)C 251072167 572540261 /nfs/dbraw/zinc/54/02/61/572540261.db2.gz FQYTXQJFPURTPW-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[NH+](C)CCCCC[C@H]1CCCC[NH2+]1 238297612 572541096 /nfs/dbraw/zinc/54/10/96/572541096.db2.gz KQLZDWFMZZOGJY-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H](C)[NH2+][C@H](C)CC(C)(C)[NH2+]C 238297659 572541383 /nfs/dbraw/zinc/54/13/83/572541383.db2.gz QHBOZSJNSYOXJS-NXEZZACHSA-N 2 0 186.343 2.151 10 0 AEAERP CC[C@H](CC[NH+](CC)CC)[C@H](C)[NH3+] 238299671 572541676 /nfs/dbraw/zinc/54/16/76/572541676.db2.gz YKNHBSKPUQZHHN-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](CC[NH+](CC)CC)[C@@H](C)[NH3+] 238299658 572541887 /nfs/dbraw/zinc/54/18/87/572541887.db2.gz YKNHBSKPUQZHHN-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP C[NH+](C)CCCCC[C@@H]1CCCC[NH2+]1 238297582 572543314 /nfs/dbraw/zinc/54/33/14/572543314.db2.gz KQLZDWFMZZOGJY-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@H]1CC[C@H](CC[NH+](C)C)[N@H+](C)C1 238309548 572546382 /nfs/dbraw/zinc/54/63/82/572546382.db2.gz ZPEWXDISMPZYFM-NWDGAFQWSA-N 2 0 198.354 2.059 10 0 AEAERP C[C@H]([NH3+])CC[N@@H+]1CCC[C@H]1C(C)(C)C 251156638 572546410 /nfs/dbraw/zinc/54/64/10/572546410.db2.gz BMTSIUZDRQBIQU-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]1CC[C@H](C)[N@H+](CCCC[NH3+])C1 238309167 572546902 /nfs/dbraw/zinc/54/69/02/572546902.db2.gz JFDKUPIEUXNYKG-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C)C1)C(C)C 222816294 572550813 /nfs/dbraw/zinc/55/08/13/572550813.db2.gz FMXXYIPMTWNDCB-UTUOFQBUSA-N 2 0 198.354 2.103 10 0 AEAERP C[C@@H]([NH3+])CC[N@@H+]1CCC[C@H]1C(C)(C)C 251156637 572548308 /nfs/dbraw/zinc/54/83/08/572548308.db2.gz BMTSIUZDRQBIQU-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]1CC[C@H](CC[NH2+]C(C)C)[NH2+]C1 238309563 572548834 /nfs/dbraw/zinc/54/88/34/572548834.db2.gz BHEUSVZZOIAOPA-NWDGAFQWSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C)C1)C(C)C 222816412 572551339 /nfs/dbraw/zinc/55/13/39/572551339.db2.gz FMXXYIPMTWNDCB-WOPDTQHZSA-N 2 0 198.354 2.103 10 0 AEAERP CC[C@@H]([NH2+][C@H]1C[C@@H](C)N(C)C1)C(C)C 222816351 572551583 /nfs/dbraw/zinc/55/15/83/572551583.db2.gz FMXXYIPMTWNDCB-GRYCIOLGSA-N 2 0 198.354 2.103 10 0 AEAERP CCC[N@H+](CC)CCCC(C)(C)[NH3+] 69634450 572553666 /nfs/dbraw/zinc/55/36/66/572553666.db2.gz QGNDWJOCHUUSDD-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CC(C)[C@@H]1CCCC[N@H+]1CC[C@H](C)[NH3+] 251265674 572556750 /nfs/dbraw/zinc/55/67/50/572556750.db2.gz APHGFQLVLXCDBJ-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[N@H+](C)CCC[C@H](C)[NH3+] 45600209 572557321 /nfs/dbraw/zinc/55/73/21/572557321.db2.gz NXSKEYGUXJAFEM-JTQLQIEISA-N 2 0 186.343 2.234 10 0 AEAERP CCC[NH2+][C@H](C)CCC[N@H+](C)C1CC1 45599384 572558710 /nfs/dbraw/zinc/55/87/10/572558710.db2.gz JAFIUIBVHBDVFN-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](CCC[C@H](C)[NH3+])C(C)C 45599510 572558015 /nfs/dbraw/zinc/55/80/15/572558015.db2.gz LJXXTVVOBRTLJL-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CCC[C@@H](C)[NH3+] 45599682 572558095 /nfs/dbraw/zinc/55/80/95/572558095.db2.gz OPNZWGZFNGNITM-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP C[NH2+][C@@H](C)CCCC[N@H+](C)CC1CC1 45600888 572558395 /nfs/dbraw/zinc/55/83/95/572558395.db2.gz UENDNBDOXVACSH-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[NH2+]CCCC[NH+](C)C 45663702 572561678 /nfs/dbraw/zinc/56/16/78/572561678.db2.gz RHIVREUBQJJMOL-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP C[NH2+][C@H](C[N@@H+]1CCCC1(C)C)C(C)C 87530184 572562490 /nfs/dbraw/zinc/56/24/90/572562490.db2.gz XAYPQRACXOGOPY-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[C@H](C[N@@H+]1CCC[C@@H]1C)[NH2+]C 87529101 572562625 /nfs/dbraw/zinc/56/26/25/572562625.db2.gz NHUOXFLTHSEGGB-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[N@H+](C)C[C@H]1CCCCC[C@@H]1[NH3+] 53862405 572562786 /nfs/dbraw/zinc/56/27/86/572562786.db2.gz KQDHOGAAFURUEX-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 53867002 572563579 /nfs/dbraw/zinc/56/35/79/572563579.db2.gz QTZDWEXUNSVOSI-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@H+](C)C[C@@H]1CCCCC[C@@H]1[NH3+] 53862403 572563804 /nfs/dbraw/zinc/56/38/04/572563804.db2.gz KQDHOGAAFURUEX-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+][C@H](C[N@@H+]1CCC[C@@H]1C)C(C)C 87529106 572564630 /nfs/dbraw/zinc/56/46/30/572564630.db2.gz QCDRWTRNRFJCHF-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H]1CCC[N@@H+]1C[C@H]([NH2+]C)C(C)C 87529128 572564757 /nfs/dbraw/zinc/56/47/57/572564757.db2.gz ZBBKPWGMEXNGAS-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C)CCC[N@H+](C)CC1CC1 45600906 572564912 /nfs/dbraw/zinc/56/49/12/572564912.db2.gz SHIUVYHLGPJSGJ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[C@@H](C[N@@H+]1CCC[C@@H]1C)[NH2+]C 87529093 572565043 /nfs/dbraw/zinc/56/50/43/572565043.db2.gz NHUOXFLTHSEGGB-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CCCCC[C@@H]1CCC[N@H+](C)C1 238333270 572566578 /nfs/dbraw/zinc/56/65/78/572566578.db2.gz LZWCDNKBPAMCIQ-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CCC(CC)[N@@H+]1CCCC[C@@H]1CC[NH3+] 69720673 572565281 /nfs/dbraw/zinc/56/52/81/572565281.db2.gz RSYJBHBYSSBQCG-GFCCVEGCSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1C[C@H]([NH2+]C)C(C)C 87529126 572565649 /nfs/dbraw/zinc/56/56/49/572565649.db2.gz ZBBKPWGMEXNGAS-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[C@@H](C[N@@H+]1CCC[C@@H]1C)[NH2+]C 87529090 572565846 /nfs/dbraw/zinc/56/58/46/572565846.db2.gz NHUOXFLTHSEGGB-GRYCIOLGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 53867901 572566015 /nfs/dbraw/zinc/56/60/15/572566015.db2.gz MNQLEFBRXNGZAN-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[C@H](C[N@@H+]1CCC[C@@H]1C)[NH2+]C 87529096 572566039 /nfs/dbraw/zinc/56/60/39/572566039.db2.gz NHUOXFLTHSEGGB-WOPDTQHZSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[C@H]1CCCC[N@H+]1C[C@H](C)C[NH3+] 251363645 572566113 /nfs/dbraw/zinc/56/61/13/572566113.db2.gz VWZVCXPWDPMVIH-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH2+][C@@H](C[N@@H+]1CCC[C@@H]1C)C(C)C 87529102 572566139 /nfs/dbraw/zinc/56/61/39/572566139.db2.gz QCDRWTRNRFJCHF-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H](C[N@@H+]1CCCC1(C)C)C(C)C 87530187 572566416 /nfs/dbraw/zinc/56/64/16/572566416.db2.gz XAYPQRACXOGOPY-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCCC[C@@H]1CC[NH2+]C 69730762 572567292 /nfs/dbraw/zinc/56/72/92/572567292.db2.gz DMZXBNXJJVRONL-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[C@@H]1CCCC[N@H+]1C[C@H](C)C[NH3+] 251363641 572567582 /nfs/dbraw/zinc/56/75/82/572567582.db2.gz VWZVCXPWDPMVIH-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]CCCCC[C@H]1CCC[N@H+](C)C1 238333332 572567648 /nfs/dbraw/zinc/56/76/48/572567648.db2.gz LZWCDNKBPAMCIQ-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCCC[N@@H+]1CCCC[C@H]1CC[NH2+]C 69730725 572568090 /nfs/dbraw/zinc/56/80/90/572568090.db2.gz AHEFPXMJVSRETR-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)CC[N@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 53879096 572569148 /nfs/dbraw/zinc/56/91/48/572569148.db2.gz JZJPAQFDVMBWGQ-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH3+])C(C)(C)C[N@H+](C)[C@H](C)C1CC1 251531232 572569220 /nfs/dbraw/zinc/56/92/20/572569220.db2.gz KFDOQNFXUPMVLC-ZJUUUORDSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)=CCN1[C@H](C[NH3+])CCC[C@H]1C 69722873 572569900 /nfs/dbraw/zinc/56/99/00/572569900.db2.gz ZVLNXNQOSBCIQR-NEPJUHHUSA-N 2 0 196.338 2.154 10 0 AEAERP CC(C)=CCN1[C@@H](C)CCC[C@@H]1C[NH3+] 69722871 572570114 /nfs/dbraw/zinc/57/01/14/572570114.db2.gz ZVLNXNQOSBCIQR-NWDGAFQWSA-N 2 0 196.338 2.154 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]C1(C)CCCCC1 69840949 572586080 /nfs/dbraw/zinc/58/60/80/572586080.db2.gz YXLXGOUGYMKRLV-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC(C)C[C@@H]1CC[N@@H+]([C@H](C)[C@H](C)[NH3+])C1 307835657 572593513 /nfs/dbraw/zinc/59/35/13/572593513.db2.gz NECNDAMSUBQUFI-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH2+][C@H]1CCC[C@@H](C[N@H+](C)CC)C1 403046210 572589804 /nfs/dbraw/zinc/58/98/04/572589804.db2.gz XNGROVKIHSZRFI-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H]1CCC[C@H](C[N@H+](C)CC)C1 403046212 572590144 /nfs/dbraw/zinc/59/01/44/572590144.db2.gz XNGROVKIHSZRFI-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)[C@H](C)[NH3+])C1 307835656 572590956 /nfs/dbraw/zinc/59/09/56/572590956.db2.gz NECNDAMSUBQUFI-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)[NH3+])C1 307835659 572591505 /nfs/dbraw/zinc/59/15/05/572591505.db2.gz NECNDAMSUBQUFI-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)[NH3+])C1 307835658 572591613 /nfs/dbraw/zinc/59/16/13/572591613.db2.gz NECNDAMSUBQUFI-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@@H](C[N@H+](C)CC)C1 403046213 572591822 /nfs/dbraw/zinc/59/18/22/572591822.db2.gz XNGROVKIHSZRFI-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@H](C[N@H+](C)CC)C1 403046211 572593164 /nfs/dbraw/zinc/59/31/64/572593164.db2.gz XNGROVKIHSZRFI-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@H]1CC[N@H+](CC[C@@H](C)[NH3+])C1 307836603 572594604 /nfs/dbraw/zinc/59/46/04/572594604.db2.gz OKXYETNMPFHJIH-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@@H]1CC[N@H+](CC[C@H](C)[NH3+])C1 307836602 572594954 /nfs/dbraw/zinc/59/49/54/572594954.db2.gz OKXYETNMPFHJIH-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@@H]1CC[N@H+](CC[C@@H](C)[NH3+])C1 307836600 572595513 /nfs/dbraw/zinc/59/55/13/572595513.db2.gz OKXYETNMPFHJIH-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)(C)C[C@@H]1CC[N@H+](CCC[NH3+])C1 307839758 572596866 /nfs/dbraw/zinc/59/68/66/572596866.db2.gz RHXUDOBWAYSOPM-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)C[C@H]1CC[N@H+](CCC[NH3+])C1 307839756 572597177 /nfs/dbraw/zinc/59/71/77/572597177.db2.gz RHXUDOBWAYSOPM-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H]1C[C@H]([NH2+]C)CN([C@H](C)CC)C1 251643911 572606722 /nfs/dbraw/zinc/60/67/22/572606722.db2.gz MXUQVARTLZSTSO-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1C[C@@H]([NH2+]C)CN([C@H](C)CC)C1 251643908 572604810 /nfs/dbraw/zinc/60/48/10/572604810.db2.gz MXUQVARTLZSTSO-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@@H+]1CCC[C@@H](C[C@H](C)[NH3+])C1 250544671 572609451 /nfs/dbraw/zinc/60/94/51/572609451.db2.gz DEBFPCRXURJIPY-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[N@@H+]1CCC[C@H](C[C@H](C)[NH3+])C1 250544669 572610519 /nfs/dbraw/zinc/61/05/19/572610519.db2.gz DEBFPCRXURJIPY-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@H+](C)CC[C@H]([NH3+])C(C)(C)C 54027099 572612069 /nfs/dbraw/zinc/61/20/69/572612069.db2.gz WXRXRUXKYQTLDK-JTQLQIEISA-N 2 0 186.343 2.090 10 0 AEAERP C[C@@H]1CCCCC[N@@H+]1CC(C)(C)C[NH3+] 69945675 572612156 /nfs/dbraw/zinc/61/21/56/572612156.db2.gz RVVUHWNVWNQQIF-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCCCCN1C[C@@H]1CCC[NH2+]1 69944963 572612472 /nfs/dbraw/zinc/61/24/72/572612472.db2.gz DXSAZAVCNZXTJP-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]1CCCCC[N@@H+]1CC(C)(C)C[NH3+] 69945676 572613373 /nfs/dbraw/zinc/61/33/73/572613373.db2.gz RVVUHWNVWNQQIF-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1CCCCCN1C[C@@H]1CCC[NH2+]1 69944962 572613564 /nfs/dbraw/zinc/61/35/64/572613564.db2.gz DXSAZAVCNZXTJP-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCCC[C@@H]1C 69944399 572613618 /nfs/dbraw/zinc/61/36/18/572613618.db2.gz WUSLOOWVPNKBDR-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP C[N@H+](CC[C@H]([NH3+])C(C)(C)C)CC1CC1 54028244 572613713 /nfs/dbraw/zinc/61/37/13/572613713.db2.gz IYBOGUFLGBCAES-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@H+](C)CC[C@@H]([NH3+])C(C)(C)C 54027101 572615034 /nfs/dbraw/zinc/61/50/34/572615034.db2.gz WXRXRUXKYQTLDK-SNVBAGLBSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@H](C)[N@@H+]1C[C@@H](C)CNCC1(C)C 251734037 572624483 /nfs/dbraw/zinc/62/44/83/572624483.db2.gz FUFJUIONLIWGPY-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@@H+]1C[C@@H](C)CNCC1(C)C 251734039 572626379 /nfs/dbraw/zinc/62/63/79/572626379.db2.gz FUFJUIONLIWGPY-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[C@@H](CC)C[NH2+]C1CC([NH3+])C1 87651196 572634362 /nfs/dbraw/zinc/63/43/62/572634362.db2.gz VPIYFVSVBYWOOP-VOMCLLRMSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[NH+](C/C=C/C[NH3+])CC(C)C 85054856 572634589 /nfs/dbraw/zinc/63/45/89/572634589.db2.gz DNFTWRWIPVWEQE-AATRIKPKSA-N 2 0 198.354 2.115 10 0 AEAERP CC[N@H+](C/C=C/C[NH3+])C1CCCCC1 85054724 572635191 /nfs/dbraw/zinc/63/51/91/572635191.db2.gz MHEPRPNDVHSPRL-VOTSOKGWSA-N 2 0 196.338 2.156 10 0 AEAERP C[N@H+](C/C=C/C[NH3+])C1CCCCCC1 85054831 572635607 /nfs/dbraw/zinc/63/56/07/572635607.db2.gz YXVDDJBBFNHNLP-VOTSOKGWSA-N 2 0 196.338 2.156 10 0 AEAERP CCCC[C@H](CC)C[NH2+]C1CC([NH3+])C1 87651197 572635844 /nfs/dbraw/zinc/63/58/44/572635844.db2.gz VPIYFVSVBYWOOP-UNXYVOJBSA-N 2 0 198.354 2.282 10 0 AEAERP CCCCC[C@H](C)[NH2+]C1CC([NH3+])C1 87651362 572635855 /nfs/dbraw/zinc/63/58/55/572635855.db2.gz LKZLFHMLIHMFMB-WHXUTIOJSA-N 2 0 184.327 2.035 10 0 AEAERP CC(C)CCC[C@@H](C)[NH2+]C1CC([NH3+])C1 87651229 572635967 /nfs/dbraw/zinc/63/59/67/572635967.db2.gz WKVSAOCJEUZJMJ-VOMCLLRMSA-N 2 0 198.354 2.281 10 0 AEAERP CCCC[NH+](C/C=C/C[NH3+])CCCC 85054775 572636094 /nfs/dbraw/zinc/63/60/94/572636094.db2.gz ILTITJXWJWZJEG-BQYQJAHWSA-N 2 0 198.354 2.404 10 0 AEAERP CCC(CC)C[N@H+](CC)C/C=C/C[NH3+] 85054893 572636255 /nfs/dbraw/zinc/63/62/55/572636255.db2.gz SKAZXUHKMAXCKV-BQYQJAHWSA-N 2 0 198.354 2.259 10 0 AEAERP CC(C)CCC[C@H](C)[NH2+]C1CC([NH3+])C1 87651230 572636435 /nfs/dbraw/zinc/63/64/35/572636435.db2.gz WKVSAOCJEUZJMJ-UNXYVOJBSA-N 2 0 198.354 2.281 10 0 AEAERP CC1CCC([N@H+](C)C/C=C/C[NH3+])CC1 85054891 572636436 /nfs/dbraw/zinc/63/64/36/572636436.db2.gz WFYNXAURUSBZKJ-ONEGZZNKSA-N 2 0 196.338 2.012 10 0 AEAERP CCCCC[N@H+](C(C)C)C1CC([NH3+])C1 87653399 572637377 /nfs/dbraw/zinc/63/73/77/572637377.db2.gz SAMSJMBQPMVLLW-UHFFFAOYSA-N 2 0 198.354 2.377 10 0 AEAERP CCCC[NH+](CCCC)C1CC([NH3+])C1 87653183 572637912 /nfs/dbraw/zinc/63/79/12/572637912.db2.gz BWCDMTBXURGSFS-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)(C)CC(C)(C)[NH2+]C1CC([NH3+])C1 87651526 572638075 /nfs/dbraw/zinc/63/80/75/572638075.db2.gz ZPIFFOMCTMNEDA-UHFFFAOYSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@@H]1CCCC[C@H]1[N@H+](C)C/C=C/C[NH3+] 85054939 572638823 /nfs/dbraw/zinc/63/88/23/572638823.db2.gz IDXZBCPSVQPRFI-IEVRTODYSA-N 2 0 196.338 2.012 10 0 AEAERP CCCCCC[C@@H](C)[NH2+]C1CC([NH3+])C1 87651563 572639294 /nfs/dbraw/zinc/63/92/94/572639294.db2.gz QGIGPJXQNHPKMW-VOMCLLRMSA-N 2 0 198.354 2.425 10 0 AEAERP CCCCCC[NH2+]C[C@@H]1CCC[NH2+]C1 87646174 572639249 /nfs/dbraw/zinc/63/92/49/572639249.db2.gz GWAPYGRMZJFKKI-LBPRGKRZSA-N 2 0 198.354 2.156 10 0 AEAERP C[C@@H](CC(C)(C)CCC[NH3+])[C@@H](C)[NH3+] 238376030 572639537 /nfs/dbraw/zinc/63/95/37/572639537.db2.gz GYPBUOTWHLDLNI-VHSXEESVSA-N 2 0 186.343 2.125 10 0 AEAERP CCCC1CC[NH+](C/C=C/C[NH3+])CC1 85054994 572639876 /nfs/dbraw/zinc/63/98/76/572639876.db2.gz PKOALFGXSIKTMI-ONEGZZNKSA-N 2 0 196.338 2.013 10 0 AEAERP C[N@H+](C/C=C/C[NH3+])CC1CCCCC1 85054899 572639886 /nfs/dbraw/zinc/63/98/86/572639886.db2.gz QRAUIQJBLZRNPN-AATRIKPKSA-N 2 0 196.338 2.013 10 0 AEAERP CC[C@@H]1CCC[N@H+](C/C=C/C[NH3+])CC1 85055179 572640178 /nfs/dbraw/zinc/64/01/78/572640178.db2.gz QQAWJNJPBSNONW-AAOUONPWSA-N 2 0 196.338 2.013 10 0 AEAERP CCC(CC)C[N@H+](CC)C1CC([NH3+])C1 87653261 572640192 /nfs/dbraw/zinc/64/01/92/572640192.db2.gz FCGXKYLOAJRYHN-UHFFFAOYSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[N@@H+](C1CC([NH3+])C1)[C@@H](C)CC 87653407 572640237 /nfs/dbraw/zinc/64/02/37/572640237.db2.gz XPKARFYWMWBBRR-UNXYVOJBSA-N 2 0 198.354 2.377 10 0 AEAERP CCC1(C)CC[NH+](C/C=C/C[NH3+])CC1 85055059 572640252 /nfs/dbraw/zinc/64/02/52/572640252.db2.gz FQIHDTCFIBKHMF-SNAWJCMRSA-N 2 0 196.338 2.013 10 0 AEAERP CCCC[N@@H+](C1CC([NH3+])C1)[C@H](C)CC 87653408 572640287 /nfs/dbraw/zinc/64/02/87/572640287.db2.gz XPKARFYWMWBBRR-VOMCLLRMSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@@H]1CCC[C@@H]([N@H+](C)C/C=C/C[NH3+])C1 85054902 572640399 /nfs/dbraw/zinc/64/03/99/572640399.db2.gz RBAXCRCHXJBQQN-BLDJZWNYSA-N 2 0 196.338 2.012 10 0 AEAERP CCCCC[N@H+](C/C=C/C[NH3+])C(C)C 85054925 572641232 /nfs/dbraw/zinc/64/12/32/572641232.db2.gz HQTFHFAMPMGUQD-SOFGYWHQSA-N 2 0 198.354 2.402 10 0 AEAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)C/C=C/C[NH3+] 85054937 572640724 /nfs/dbraw/zinc/64/07/24/572640724.db2.gz IDXZBCPSVQPRFI-AIIUZBJTSA-N 2 0 196.338 2.012 10 0 AEAERP CC[C@H]1CCC[N@H+](C/C=C/C[NH3+])CC1 85055181 572640939 /nfs/dbraw/zinc/64/09/39/572640939.db2.gz QQAWJNJPBSNONW-PCAWENJQSA-N 2 0 196.338 2.013 10 0 AEAERP CCCC[N@H+](C/C=C/C[NH3+])[C@@H](C)CC 85054933 572641022 /nfs/dbraw/zinc/64/10/22/572641022.db2.gz NMHHHFLVAYFGMI-GUOLPTJISA-N 2 0 198.354 2.402 10 0 AEAERP CCCCCC[C@H](C)[NH2+]C1CC([NH3+])C1 87651564 572641440 /nfs/dbraw/zinc/64/14/40/572641440.db2.gz QGIGPJXQNHPKMW-UNXYVOJBSA-N 2 0 198.354 2.425 10 0 AEAERP CC(C)C[NH+](CC(C)C)C1CC([NH3+])C1 87653262 572641504 /nfs/dbraw/zinc/64/15/04/572641504.db2.gz PFQGZRYGFNPHNB-UHFFFAOYSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@@H]1CCC[C@H]([N@H+](C)C/C=C/C[NH3+])C1 85054900 572641524 /nfs/dbraw/zinc/64/15/24/572641524.db2.gz RBAXCRCHXJBQQN-LXYZTQFVSA-N 2 0 196.338 2.012 10 0 AEAERP CCCCCC[NH2+]C[C@H]1CCC[NH2+]C1 87646176 572641757 /nfs/dbraw/zinc/64/17/57/572641757.db2.gz GWAPYGRMZJFKKI-GFCCVEGCSA-N 2 0 198.354 2.156 10 0 AEAERP CCCC[N@H+](C/C=C/C[NH3+])[C@H](C)CC 85054934 572642140 /nfs/dbraw/zinc/64/21/40/572642140.db2.gz NMHHHFLVAYFGMI-ABZNLYFFSA-N 2 0 198.354 2.402 10 0 AEAERP CC(C)CC[N@@H+]1CC[C@@H](C)N[C@H](C)C1 251787518 572642401 /nfs/dbraw/zinc/64/24/01/572642401.db2.gz WTTYQDXVJIUGCZ-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 87646845 572643813 /nfs/dbraw/zinc/64/38/13/572643813.db2.gz GTXVCOMNTYQORP-GRYCIOLGSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 87646842 572644646 /nfs/dbraw/zinc/64/46/46/572644646.db2.gz GTXVCOMNTYQORP-IJLUTSLNSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)CC[N@@H+]1CC[C@H](C)N[C@H](C)C1 251787515 572644991 /nfs/dbraw/zinc/64/49/91/572644991.db2.gz WTTYQDXVJIUGCZ-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@@H+]1CCCC[C@H]1C[C@H](C)[NH3+] 250548184 572648581 /nfs/dbraw/zinc/64/85/81/572648581.db2.gz GQYDEUZDXJXYBK-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[N@@H+]1CCCC[C@@H]1C[C@H](C)[NH3+] 250548179 572649491 /nfs/dbraw/zinc/64/94/91/572649491.db2.gz GQYDEUZDXJXYBK-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CCCN(C)CC[NH2+][C@@H]1CC[C@@H](C)C1 688687257 572650492 /nfs/dbraw/zinc/65/04/92/572650492.db2.gz CNGYOEOAXQMFJW-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCN(C)CC[NH2+][C@H]1CC[C@@H](C)C1 688687254 572650930 /nfs/dbraw/zinc/65/09/30/572650930.db2.gz CNGYOEOAXQMFJW-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCN(C)CC[NH2+][C@H]1CC[C@H](C)C1 688687256 572650590 /nfs/dbraw/zinc/65/05/90/572650590.db2.gz CNGYOEOAXQMFJW-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCN(C)CC[NH2+][C@@H]1CC[C@H](C)C1 688687255 572653127 /nfs/dbraw/zinc/65/31/27/572653127.db2.gz CNGYOEOAXQMFJW-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCCC[N@@H+]1CCC[C@H]1CC[NH2+]1 252106747 572665858 /nfs/dbraw/zinc/66/58/58/572665858.db2.gz HCWOHSMFUGHEAQ-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H]1CC[C@@H]([NH3+])[C@@H](CCC[NH+](C)C)C1 252175923 572668326 /nfs/dbraw/zinc/66/83/26/572668326.db2.gz RZOXJJLKRKLKBR-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CC[C@H]([NH3+])[C@@H](CCC[NH+](C)C)C1 252175925 572669707 /nfs/dbraw/zinc/66/97/07/572669707.db2.gz RZOXJJLKRKLKBR-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CC[N@@H+]1CCC[C@](C)(C[NH3+])C1 688700532 572674900 /nfs/dbraw/zinc/67/49/00/572674900.db2.gz AVZBRLLNMZBEOZ-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)CC1 235299919 572675527 /nfs/dbraw/zinc/67/55/27/572675527.db2.gz SDXJOZBUAUIJPJ-QTAHKJALSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[NH2+][C@H]1CCCC[C@H]1[NH2+]CCC 116415322 572686520 /nfs/dbraw/zinc/68/65/20/572686520.db2.gz IHVIFYYEXXBYSX-TXEJJXNPSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1[NH2+]CC[C@H]1C 299895670 572686595 /nfs/dbraw/zinc/68/65/95/572686595.db2.gz AUCZXSHVVIDIQU-WOPDTQHZSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H]1[NH2+]CC[C@H]1C 299895669 572687472 /nfs/dbraw/zinc/68/74/72/572687472.db2.gz AUCZXSHVVIDIQU-GRYCIOLGSA-N 2 0 198.354 2.153 10 0 AEAERP CCC(C)(C)N(C)C[C@H]1[NH2+]CC[C@H]1C 299896069 572687544 /nfs/dbraw/zinc/68/75/44/572687544.db2.gz GZEYANDXTJEITA-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CC[NH3+])[NH2+][C@H](C)c1ccccc1 66147845 572687554 /nfs/dbraw/zinc/68/75/54/572687554.db2.gz PXMVNVVZWGEZJE-GHMZBOCLSA-N 2 0 192.306 2.075 10 0 AEAERP C[C@H]([NH2+][C@H](C)CC[NH3+])c1ccccc1 66147840 572688908 /nfs/dbraw/zinc/68/89/08/572688908.db2.gz PXMVNVVZWGEZJE-MNOVXSKESA-N 2 0 192.306 2.075 10 0 AEAERP CCC(C)(C)N(C)C[C@@H]1[NH2+]CC[C@H]1C 299896070 572689405 /nfs/dbraw/zinc/68/94/05/572689405.db2.gz GZEYANDXTJEITA-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H](CC[NH3+])[NH2+][C@H](C)c1ccccc1 66147842 572689942 /nfs/dbraw/zinc/68/99/42/572689942.db2.gz PXMVNVVZWGEZJE-WDEREUQCSA-N 2 0 192.306 2.075 10 0 AEAERP C[C@@H]1CCC[C@@H](CC[NH2+]C(C)(C)C)[NH2+]1 238407963 572690977 /nfs/dbraw/zinc/69/09/77/572690977.db2.gz KCMWRLWWGGKJGR-MNOVXSKESA-N 2 0 198.354 2.295 10 0 AEAERP C[C@@H](CC[NH3+])[NH2+][C@@H](C)c1ccccc1 66147837 572691078 /nfs/dbraw/zinc/69/10/78/572691078.db2.gz PXMVNVVZWGEZJE-QWRGUYRKSA-N 2 0 192.306 2.075 10 0 AEAERP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC2)CC1 235303165 572693256 /nfs/dbraw/zinc/69/32/56/572693256.db2.gz GKKJTOPPCMPWCJ-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H](C)C[N@@H+]1CCC[NH2+][C@H](C)CC1 54490883 572693583 /nfs/dbraw/zinc/69/35/83/572693583.db2.gz CAQIGKQRVBHOON-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)C[N@@H+]1CCC[NH2+][C@H](C)CC1 54490881 572693726 /nfs/dbraw/zinc/69/37/26/572693726.db2.gz CAQIGKQRVBHOON-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP C/C=C/C[N@@H+](CC)[C@H]1CCC[C@H]1C[NH3+] 253630762 572699830 /nfs/dbraw/zinc/69/98/30/572699830.db2.gz CMMMXEOYIRXPLQ-SCBUBVSKSA-N 2 0 196.338 2.012 10 0 AEAERP C/C=C/C[N@H+](C)[C@H]1CCCC[C@H]1C[NH3+] 253630765 572701689 /nfs/dbraw/zinc/70/16/89/572701689.db2.gz NOWKNUMLMWOEAK-QSKOYVBTSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)C[N@@H+]1CC[C@H](CC[C@H](C)[NH3+])C1 253619263 572704344 /nfs/dbraw/zinc/70/43/44/572704344.db2.gz HJIPUCPRUSPRNA-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[N@@H+]1CC[C@@H](CC[C@H](C)[NH3+])C1 253619262 572705619 /nfs/dbraw/zinc/70/56/19/572705619.db2.gz HJIPUCPRUSPRNA-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]CCCCCC[N@H+](C)C(C)C 70596118 572708559 /nfs/dbraw/zinc/70/85/59/572708559.db2.gz SXTQGAAOQKSLOR-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP C[C@]1(C[NH2+]C2CCCCC2)CCC[NH2+]1 70619661 572711377 /nfs/dbraw/zinc/71/13/77/572711377.db2.gz DDJSPAZFVUEUSA-GFCCVEGCSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@@]1(C[NH2+]C2CCCCC2)CCC[NH2+]1 70619662 572712107 /nfs/dbraw/zinc/71/21/07/572712107.db2.gz DDJSPAZFVUEUSA-LBPRGKRZSA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@@H]1CC=C[C@H]([NH3+])C1 714215936 572714936 /nfs/dbraw/zinc/71/49/36/572714936.db2.gz KTXIIUIDHQPIAS-TUAOUCFPSA-N 2 0 196.338 2.010 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@H]1CC=C[C@H]([NH3+])C1 714215935 572715571 /nfs/dbraw/zinc/71/55/71/572715571.db2.gz KTXIIUIDHQPIAS-SRVKXCTJSA-N 2 0 196.338 2.010 10 0 AEAERP CCCC[C@H](C[NH3+])Nc1cc[nH+]cc1 87780202 572716137 /nfs/dbraw/zinc/71/61/37/572716137.db2.gz PZADYHRRUOKQSW-LLVKDONJSA-N 2 0 193.294 2.011 10 0 AEAERP CC[C@H](C)[N@H+](C)C[C@H]1CC=C[C@@H]([NH3+])C1 714215934 572716212 /nfs/dbraw/zinc/71/62/12/572716212.db2.gz KTXIIUIDHQPIAS-SDDRHHMPSA-N 2 0 196.338 2.010 10 0 AEAERP CC(C)[C@H](C)N(C)[C@H](C)[C@@H]1CCC[NH2+]1 400370753 572719148 /nfs/dbraw/zinc/71/91/48/572719148.db2.gz AHXOKXXPCBZFFA-TUAOUCFPSA-N 2 0 198.354 2.103 10 0 AEAERP C[N@H+](CC(C)(C)C)C1CCC([NH3+])CC1 55144661 572737305 /nfs/dbraw/zinc/73/73/05/572737305.db2.gz FKWVLCAHDFLKQA-UHFFFAOYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](CC)C1CCC([NH3+])CC1 55144326 572738597 /nfs/dbraw/zinc/73/85/97/572738597.db2.gz CVILKZWRMYQROQ-VOMCLLRMSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1C1CCC([NH3+])CC1 55144205 572738973 /nfs/dbraw/zinc/73/89/73/572738973.db2.gz CHXBVKRNOMJCMQ-VOMCLLRMSA-N 2 0 196.338 2.131 10 0 AEAERP CC[C@H]([NH3+])CCC[N@H+]1CC=C(C)CC1 391751416 572739835 /nfs/dbraw/zinc/73/98/35/572739835.db2.gz PDCWUINVXWRQAP-LBPRGKRZSA-N 2 0 196.338 2.156 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@@H]1CC[C@@H]1C[NH3+] 87922892 572741995 /nfs/dbraw/zinc/74/19/95/572741995.db2.gz RMNBFLCHJNARID-VXGBXAGGSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1CCCC[N@@H+]1C1CCC([NH3+])CC1 55144207 572740752 /nfs/dbraw/zinc/74/07/52/572740752.db2.gz CHXBVKRNOMJCMQ-UNXYVOJBSA-N 2 0 196.338 2.131 10 0 AEAERP CCC[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]C(C)C 87921937 572742270 /nfs/dbraw/zinc/74/22/70/572742270.db2.gz QODPTUBMPHMCIK-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH+](CC)[C@H]1CC[C@H]1C[NH2+]C(C)C 87921490 572741705 /nfs/dbraw/zinc/74/17/05/572741705.db2.gz LFXLMZDGFZTOEI-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH+](CCC)[C@H]1CC[C@@H]1C[NH2+]C 87921612 572741829 /nfs/dbraw/zinc/74/18/29/572741829.db2.gz HAETVUARRAWSGZ-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCN(CC)[C@@H]1C[NH2+]CC[C@@H]1C 85439035 572741862 /nfs/dbraw/zinc/74/18/62/572741862.db2.gz ZJCKWQOZXDPTHX-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H]1CNCC[C@@H]1C 85439291 572742030 /nfs/dbraw/zinc/74/20/30/572742030.db2.gz KOHMAJVBEDECNC-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@H]1CC[C@@H]1[NH+](CC)CC 87921468 572742224 /nfs/dbraw/zinc/74/22/24/572742224.db2.gz AERBWQHGCBMHAS-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H]1CNCC[C@@H]1C 85439264 572742264 /nfs/dbraw/zinc/74/22/64/572742264.db2.gz SYHSICYSHPTZFE-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)C(C)C 87921681 572742303 /nfs/dbraw/zinc/74/23/03/572742303.db2.gz GYFNBGQTWHHBTF-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922188 572742321 /nfs/dbraw/zinc/74/23/21/572742321.db2.gz ROFHJOHUHFDZMU-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)CCC 87921922 572742562 /nfs/dbraw/zinc/74/25/62/572742562.db2.gz BPPGFKZLPMPPJE-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@@H]1CC[C@@H]1[N@H+](CC)C(C)C 87922020 572742580 /nfs/dbraw/zinc/74/25/80/572742580.db2.gz CTEGPUZKFKASAM-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@H]1CC[C@H]1[N@H+](C)CCC 87921925 572742759 /nfs/dbraw/zinc/74/27/59/572742759.db2.gz BPPGFKZLPMPPJE-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](CC)[C@H]1CC[C@@H]1C[NH2+]C 87921654 572742772 /nfs/dbraw/zinc/74/27/72/572742772.db2.gz UJJATVPGOMVTQO-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CC[C@@H]1C[NH2+]C 87921611 572742834 /nfs/dbraw/zinc/74/28/34/572742834.db2.gz HAETVUARRAWSGZ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)C(C)C 87921694 572742850 /nfs/dbraw/zinc/74/28/50/572742850.db2.gz SNOHBUBBJCZRDQ-NEPJUHHUSA-N 2 0 198.354 2.103 10 0 AEAERP C=C/C=C\CC[NH2+][C@@H](C)CCCC[NH3+] 713485819 572743073 /nfs/dbraw/zinc/74/30/73/572743073.db2.gz SIDGQLGWAKZLOO-RXNFCKPNSA-N 2 0 196.338 2.226 10 0 AEAERP CC[NH2+]C[C@H]1CC[C@H]1[N@H+](C)[C@@H](C)CC 87921915 572743163 /nfs/dbraw/zinc/74/31/63/572743163.db2.gz JCZQPIJAQQHCSP-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)C(C)C 87921695 572743344 /nfs/dbraw/zinc/74/33/44/572743344.db2.gz SNOHBUBBJCZRDQ-NWDGAFQWSA-N 2 0 198.354 2.103 10 0 AEAERP CC(C)C[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922882 572743352 /nfs/dbraw/zinc/74/33/52/572743352.db2.gz WBQIZJWBWKZPHD-IJLUTSLNSA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH2+]C[C@H]1CC[C@H]1[N@H+](CC)C(C)C 87922023 572743367 /nfs/dbraw/zinc/74/33/67/572743367.db2.gz CTEGPUZKFKASAM-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922294 572743475 /nfs/dbraw/zinc/74/34/75/572743475.db2.gz ITUVSEHWPPOSPP-ZYHUDNBSSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@H+](C)[C@H]1CNCC[C@@H]1C 85439367 572743885 /nfs/dbraw/zinc/74/38/85/572743885.db2.gz LFRBLLOCSUWGBX-JQWIXIFHSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](C(C)C)[C@H]1CC[C@@H]1C[NH2+]C 87922087 572744044 /nfs/dbraw/zinc/74/40/44/572744044.db2.gz DGFUYCBRDRYNQT-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCN(CC)[C@H]1C[NH2+]CC[C@@H]1C 85439037 572744059 /nfs/dbraw/zinc/74/40/59/572744059.db2.gz ZJCKWQOZXDPTHX-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)N(C)[C@@H]1C[NH2+]CC[C@@H]1C 85439372 572744315 /nfs/dbraw/zinc/74/43/15/572744315.db2.gz XPUYNMWTSWCYNI-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]C 87922100 572744371 /nfs/dbraw/zinc/74/43/71/572744371.db2.gz DWZHWWLDSUDPMH-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]C 87922101 572744433 /nfs/dbraw/zinc/74/44/33/572744433.db2.gz DWZHWWLDSUDPMH-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP C=C/C=C/CC[NH2+][C@H](C)CCCC[NH3+] 713485820 572744538 /nfs/dbraw/zinc/74/45/38/572744538.db2.gz SIDGQLGWAKZLOO-ZYOFXKKJSA-N 2 0 196.338 2.226 10 0 AEAERP CCC[NH2+]C[C@H]1CC[C@H]1[NH+](CC)CC 87921470 572744595 /nfs/dbraw/zinc/74/45/95/572744595.db2.gz AERBWQHGCBMHAS-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC)[C@H]1CC[C@@H]1C[NH2+]CC 87922047 572744606 /nfs/dbraw/zinc/74/46/06/572744606.db2.gz KROPZXBADKEDRG-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH+](CCC)[C@H]1CC[C@H]1C[NH2+]C 87921614 572744643 /nfs/dbraw/zinc/74/46/43/572744643.db2.gz HAETVUARRAWSGZ-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]CC 87922046 572744850 /nfs/dbraw/zinc/74/48/50/572744850.db2.gz KROPZXBADKEDRG-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]CC 87921645 572745419 /nfs/dbraw/zinc/74/54/19/572745419.db2.gz SELODRXSGNPLKZ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[NH2+]C[C@H]1CC[C@H]1[N@H+](C)C(C)C 87921696 572745015 /nfs/dbraw/zinc/74/50/15/572745015.db2.gz SNOHBUBBJCZRDQ-VXGBXAGGSA-N 2 0 198.354 2.103 10 0 AEAERP CCC(CC)[N@H+](C)[C@@H]1CNCC[C@@H]1C 85439365 572745125 /nfs/dbraw/zinc/74/51/25/572745125.db2.gz LFRBLLOCSUWGBX-CMPLNLGQSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]C 87922295 572745159 /nfs/dbraw/zinc/74/51/59/572745159.db2.gz ITUVSEHWPPOSPP-PWSUYJOCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](C(C)C)[C@H]1CNCC[C@@H]1C 85439266 572745219 /nfs/dbraw/zinc/74/52/19/572745219.db2.gz SYHSICYSHPTZFE-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)C(C)C 87921680 572745593 /nfs/dbraw/zinc/74/55/93/572745593.db2.gz GYFNBGQTWHHBTF-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)C(C)C 87921693 572745618 /nfs/dbraw/zinc/74/56/18/572745618.db2.gz SNOHBUBBJCZRDQ-RYUDHWBXSA-N 2 0 198.354 2.103 10 0 AEAERP CCC[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)CCC 87921924 572747344 /nfs/dbraw/zinc/74/73/44/572747344.db2.gz BPPGFKZLPMPPJE-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922379 572745831 /nfs/dbraw/zinc/74/58/31/572745831.db2.gz AGGQWLLVPSPTMH-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]C 87923247 572745866 /nfs/dbraw/zinc/74/58/66/572745866.db2.gz TXWXVKRJIXUPCR-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH+](CC)[C@H]1CC[C@@H]1C[NH2+]C(C)C 87921488 572745875 /nfs/dbraw/zinc/74/58/75/572745875.db2.gz LFXLMZDGFZTOEI-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)C(C)C 87921679 572745879 /nfs/dbraw/zinc/74/58/79/572745879.db2.gz GYFNBGQTWHHBTF-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]CC 87921646 572745883 /nfs/dbraw/zinc/74/58/83/572745883.db2.gz SELODRXSGNPLKZ-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]C 87922189 572745892 /nfs/dbraw/zinc/74/58/92/572745892.db2.gz ROFHJOHUHFDZMU-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+]C[C@H]1CC[C@H]1[N@H+](C)C(C)C 87921682 572745923 /nfs/dbraw/zinc/74/59/23/572745923.db2.gz GYFNBGQTWHHBTF-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87921936 572745939 /nfs/dbraw/zinc/74/59/39/572745939.db2.gz QODPTUBMPHMCIK-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87923246 572746072 /nfs/dbraw/zinc/74/60/72/572746072.db2.gz TXWXVKRJIXUPCR-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)CCC 87921923 572746215 /nfs/dbraw/zinc/74/62/15/572746215.db2.gz BPPGFKZLPMPPJE-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@@H]1CC[C@H]1[N@H+](CC)C(C)C 87922022 572746254 /nfs/dbraw/zinc/74/62/54/572746254.db2.gz CTEGPUZKFKASAM-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]([N@H+](C)[C@@H]1CC[C@@H]1C[NH3+])C(C)(C)C 87922559 572746299 /nfs/dbraw/zinc/74/62/99/572746299.db2.gz ZCTQGSJTEUQFLV-GMTAPVOTSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H]1CC[C@@H]1C[NH2+]C 87922086 572746336 /nfs/dbraw/zinc/74/63/36/572746336.db2.gz DGFUYCBRDRYNQT-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH+](CC)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87921487 572746437 /nfs/dbraw/zinc/74/64/37/572746437.db2.gz LFXLMZDGFZTOEI-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([N@H+](C)[C@@H]1CC[C@@H]1C[NH3+])C(C)(C)C 87922558 572746461 /nfs/dbraw/zinc/74/64/61/572746461.db2.gz ZCTQGSJTEUQFLV-HBNTYKKESA-N 2 0 198.354 2.090 10 0 AEAERP CCCC[N@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]C 87921653 572746882 /nfs/dbraw/zinc/74/68/82/572746882.db2.gz UJJATVPGOMVTQO-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)[C@@H]1CC[C@H]1C[NH2+]C(C)C 87921489 572746924 /nfs/dbraw/zinc/74/69/24/572746924.db2.gz LFXLMZDGFZTOEI-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922883 572747099 /nfs/dbraw/zinc/74/70/99/572747099.db2.gz WBQIZJWBWKZPHD-QJPTWQEYSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[NH2+]C[C@@H]1CC[C@H]1[NH+](CC)CC 87921469 572747392 /nfs/dbraw/zinc/74/73/92/572747392.db2.gz AERBWQHGCBMHAS-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CC[C@H]1C[NH2+]C 87921613 572747489 /nfs/dbraw/zinc/74/74/89/572747489.db2.gz HAETVUARRAWSGZ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C(C)(C)C 87921998 572747746 /nfs/dbraw/zinc/74/77/46/572747746.db2.gz YFDUGCHLUNAESM-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]C(C)(C)C 87921999 572747847 /nfs/dbraw/zinc/74/78/47/572747847.db2.gz YFDUGCHLUNAESM-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@@H]1CC[C@@H]1[NH+](CC)CC 87921467 572748028 /nfs/dbraw/zinc/74/80/28/572748028.db2.gz AERBWQHGCBMHAS-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922893 572748077 /nfs/dbraw/zinc/74/80/77/572748077.db2.gz RMNBFLCHJNARID-NEPJUHHUSA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH2+]C[C@H]1CC[C@@H]1[N@H+](CC)C(C)C 87922021 572748163 /nfs/dbraw/zinc/74/81/63/572748163.db2.gz CTEGPUZKFKASAM-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)C[N@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87923458 572749329 /nfs/dbraw/zinc/74/93/29/572749329.db2.gz ONFJCBBANDGNKD-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)C[N@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87923459 572750169 /nfs/dbraw/zinc/75/01/69/572750169.db2.gz ONFJCBBANDGNKD-QJPTWQEYSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]CCC[C@@H](C)CCC[NH2+]C1CC1 85493048 572750566 /nfs/dbraw/zinc/75/05/66/572750566.db2.gz YJTSHQKYPKGOFD-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[NH2+]C[C@H](C)CCC[NH2+]C1CC1 85492769 572750642 /nfs/dbraw/zinc/75/06/42/572750642.db2.gz GQRNLIRRHXYAPU-LLVKDONJSA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+]C[C@@H](CCC[NH2+]C1CC1)C(C)C 85493143 572750755 /nfs/dbraw/zinc/75/07/55/572750755.db2.gz LPCBMWMOCLOFRT-LLVKDONJSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]1CCC[C@]([NH3+])(C[NH2+]C2CCC2)C1 70906251 572751050 /nfs/dbraw/zinc/75/10/50/572751050.db2.gz GPPZREDTODRKLO-ZYHUDNBSSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H]1CCC[C@]([NH3+])(C[NH2+]C2CCC2)C1 70906254 572751357 /nfs/dbraw/zinc/75/13/57/572751357.db2.gz GPPZREDTODRKLO-CMPLNLGQSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H]1CCC[C@@]([NH3+])(C[NH2+]C2CCC2)C1 70906263 572751386 /nfs/dbraw/zinc/75/13/86/572751386.db2.gz GPPZREDTODRKLO-JQWIXIFHSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[NH2+]C[C@@H](C)CCC[NH2+]C1CC1 85492782 572751521 /nfs/dbraw/zinc/75/15/21/572751521.db2.gz VXTRLNQWFAPTRI-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP [NH3+]CCCCCCCCC[NH2+]C1CC1 85493249 572753409 /nfs/dbraw/zinc/75/34/09/572753409.db2.gz LCWVGCIURRXFFU-UHFFFAOYSA-N 2 0 198.354 2.428 10 0 AEAERP CC(C)(C)[NH2+]CCCCC[NH2+]C1CC1 85492880 572751557 /nfs/dbraw/zinc/75/15/57/572751557.db2.gz HNECKIXRDXPDDH-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)CCC[NH2+]C1CC1 85492764 572751607 /nfs/dbraw/zinc/75/16/07/572751607.db2.gz GQRNLIRRHXYAPU-NSHDSACASA-N 2 0 198.354 2.153 10 0 AEAERP CC[NH2+]CCCCCCC[NH2+]C1CC1 85492866 572751669 /nfs/dbraw/zinc/75/16/69/572751669.db2.gz KQRRMTLQUYEZJR-UHFFFAOYSA-N 2 0 198.354 2.298 10 0 AEAERP CC[NH2+]C[C@H](CC)CCC[NH2+]C1CC1 85493054 572751673 /nfs/dbraw/zinc/75/16/73/572751673.db2.gz XUWAEZFWOLIXEU-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC[NH2+]C[C@H](C)CCCC[NH2+]C1CC1 85493181 572751739 /nfs/dbraw/zinc/75/17/39/572751739.db2.gz NTUVMQFODRKZBU-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP [NH3+]CCCCCCCC[NH2+]C1CC1 85492997 572751851 /nfs/dbraw/zinc/75/18/51/572751851.db2.gz CXOKLIOCBOSSLU-UHFFFAOYSA-N 2 0 184.327 2.038 10 0 AEAERP CC[NH2+]CC[C@H](C)CCC[NH2+]C1CC1 85493205 572751912 /nfs/dbraw/zinc/75/19/12/572751912.db2.gz ACEHKDNGWJJCOM-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC[NH2+]C[C@@H](C)CCCC[NH2+]C1CC1 85493177 572751930 /nfs/dbraw/zinc/75/19/30/572751930.db2.gz NTUVMQFODRKZBU-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[N@H+](C)C[C@]1([NH3+])CCC[C@H](C)C1 70905262 572751973 /nfs/dbraw/zinc/75/19/73/572751973.db2.gz SJBKEQYFPXWSSF-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+](C)C[C@@]1([NH3+])CCC[C@@H](C)C1 70905248 572752079 /nfs/dbraw/zinc/75/20/79/572752079.db2.gz SJBKEQYFPXWSSF-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]CCC[C@H](C)CCC[NH2+]C1CC1 85493044 572752186 /nfs/dbraw/zinc/75/21/86/572752186.db2.gz YJTSHQKYPKGOFD-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[N@H+](C)C[C@]1([NH3+])CCC[C@@H](C)C1 70905255 572752321 /nfs/dbraw/zinc/75/23/21/572752321.db2.gz SJBKEQYFPXWSSF-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1CCC[C@]([NH3+])(C[NH2+]C(C)(C)C)C1 70905805 572753430 /nfs/dbraw/zinc/75/34/30/572753430.db2.gz HHBRQWHATGBKHK-CMPLNLGQSA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+]CC[C@@H](C)CCC[NH2+]C1CC1 85493199 572752719 /nfs/dbraw/zinc/75/27/19/572752719.db2.gz ACEHKDNGWJJCOM-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+]CCCCCCCC[NH2+]C1CC1 85493124 572752760 /nfs/dbraw/zinc/75/27/60/572752760.db2.gz CYJUKWAPKCEFIM-UHFFFAOYSA-N 2 0 198.354 2.298 10 0 AEAERP C[C@@H]1CCC[C@@]([NH3+])(C[NH2+]C(C)(C)C)C1 70905808 572753033 /nfs/dbraw/zinc/75/30/33/572753033.db2.gz HHBRQWHATGBKHK-PWSUYJOCSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[NH2+]CCCCC[NH2+]C1CC1 85492876 572753447 /nfs/dbraw/zinc/75/34/47/572753447.db2.gz VUJFAKZNZUJIEF-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CC[NH2+]C[C@@H](CC)CCC[NH2+]C1CC1 85493052 572753199 /nfs/dbraw/zinc/75/31/99/572753199.db2.gz XUWAEZFWOLIXEU-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCC[NH2+]CCCCCC[NH2+]C1CC1 85492828 572753200 /nfs/dbraw/zinc/75/32/00/572753200.db2.gz FWOYOGLJSGABEA-UHFFFAOYSA-N 2 0 198.354 2.298 10 0 AEAERP CCC[NH2+]C[C@H](C)CCC[NH2+]C1CC1 85492784 572753204 /nfs/dbraw/zinc/75/32/04/572753204.db2.gz VXTRLNQWFAPTRI-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[NH2+]CCCCCC[NH2+]C1CC1 85492847 572753326 /nfs/dbraw/zinc/75/33/26/572753326.db2.gz ORBFXZBXQLVSBB-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP C[C@H]1CCC[C@@]([NH3+])(C[NH2+]C(C)(C)C)C1 70905811 572753342 /nfs/dbraw/zinc/75/33/42/572753342.db2.gz HHBRQWHATGBKHK-JQWIXIFHSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]1CCC[C@]([NH3+])(C[NH2+]C(C)(C)C)C1 70905798 572753400 /nfs/dbraw/zinc/75/34/00/572753400.db2.gz HHBRQWHATGBKHK-ZYHUDNBSSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[N@H+](C)C[C@@]1([NH3+])CCC[C@H](C)C1 70905251 572753912 /nfs/dbraw/zinc/75/39/12/572753912.db2.gz SJBKEQYFPXWSSF-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CCC[C@@]([NH3+])(C[NH2+]C2CCC2)C1 70906258 572754503 /nfs/dbraw/zinc/75/45/03/572754503.db2.gz GPPZREDTODRKLO-PWSUYJOCSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)C[NH2+]C[C@@]1([NH3+])CCC[C@H](C)C1 70905895 572754622 /nfs/dbraw/zinc/75/46/22/572754622.db2.gz BCJJSJLZICNYQJ-NWDGAFQWSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](C[NH3+])CC[N@@H+]1CCC[C@H](C)[C@H]1C 252217992 572757582 /nfs/dbraw/zinc/75/75/82/572757582.db2.gz YFRKTQITEMZWOX-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH2+]C[C@@H](C)[C@@H](C)[N@H+](CC)C1CC1 87947290 572758875 /nfs/dbraw/zinc/75/88/75/572758875.db2.gz RUDKPXWDJVCYOX-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](C[NH3+])CC[N@@H+]1CCC[C@H](C)[C@@H]1C 252217993 572759020 /nfs/dbraw/zinc/75/90/20/572759020.db2.gz YFRKTQITEMZWOX-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCCCC1 87947102 572759038 /nfs/dbraw/zinc/75/90/38/572759038.db2.gz BYYBGQFVEWYHQH-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C 87946902 572759626 /nfs/dbraw/zinc/75/96/26/572759626.db2.gz BTGLIVHXXCHCKJ-GRYCIOLGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C[C@@H](C)[C@H](C)[N@H+](CC)C1CC1 87947295 572759827 /nfs/dbraw/zinc/75/98/27/572759827.db2.gz RUDKPXWDJVCYOX-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 87946909 572759933 /nfs/dbraw/zinc/75/99/33/572759933.db2.gz BTGLIVHXXCHCKJ-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCCCC1 87947104 572760733 /nfs/dbraw/zinc/76/07/33/572760733.db2.gz BYYBGQFVEWYHQH-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@H](C)[C@@H](C)[N@H+](CC)C1CC1 87947292 572760880 /nfs/dbraw/zinc/76/08/80/572760880.db2.gz RUDKPXWDJVCYOX-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C[C@H](C)[C@H](C)[NH+]1CCCCC1 87947109 572761161 /nfs/dbraw/zinc/76/11/61/572761161.db2.gz BYYBGQFVEWYHQH-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]([NH3+])C(C)(C)C[N@H+](C)CC1CCC1 85679440 572768727 /nfs/dbraw/zinc/76/87/27/572768727.db2.gz YDUNZMLZBDCHQV-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([NH3+])C(C)(C)C[N@H+](C)C1CCCC1 85678483 572769050 /nfs/dbraw/zinc/76/90/50/572769050.db2.gz ZUHPZBRKSSPQSF-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678353 572769141 /nfs/dbraw/zinc/76/91/41/572769141.db2.gz PESKGSAQWHAKPT-NXEZZACHSA-N 2 0 186.343 2.090 10 0 AEAERP CC[NH2+][C@@H](C)C(C)(C)C[NH+]1CCCC1 85678065 572769495 /nfs/dbraw/zinc/76/94/95/572769495.db2.gz RWYKXWPWWNCLFJ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CC)CC(C)(C)[C@@H](C)[NH3+] 85678369 572771637 /nfs/dbraw/zinc/77/16/37/572771637.db2.gz MMCDERLZJOLFRH-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CC[NH2+][C@H](C)C(C)(C)C[NH+]1CCCC1 85678069 572769728 /nfs/dbraw/zinc/76/97/28/572769728.db2.gz RWYKXWPWWNCLFJ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH3+])C(C)(C)C[N@H+](C)CC1CCC1 85679443 572769822 /nfs/dbraw/zinc/76/98/22/572769822.db2.gz YDUNZMLZBDCHQV-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](C)CC(C)(C)[C@H](C)[NH3+] 85678256 572770377 /nfs/dbraw/zinc/77/03/77/572770377.db2.gz BLZBZEPRDQCGTG-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+][C@H](C)C(C)(C)C[NH+]1CCCCC1 85678241 572770685 /nfs/dbraw/zinc/77/06/85/572770685.db2.gz SIBYNNPMMQCRGQ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678253 572770763 /nfs/dbraw/zinc/77/07/63/572770763.db2.gz BLZBZEPRDQCGTG-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)[NH3+] 85677894 572770901 /nfs/dbraw/zinc/77/09/01/572770901.db2.gz CGWOYHGMOXSSAX-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])C(C)(C)C[N@H+](C)C1CCCC1 85678481 572771363 /nfs/dbraw/zinc/77/13/63/572771363.db2.gz ZUHPZBRKSSPQSF-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](C1CC1)[N@@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678691 572771460 /nfs/dbraw/zinc/77/14/60/572771460.db2.gz KFDOQNFXUPMVLC-VHSXEESVSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[N@H+](CC)CC(C)(C)[C@H](C)[NH3+] 85678371 572771597 /nfs/dbraw/zinc/77/15/97/572771597.db2.gz MMCDERLZJOLFRH-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC[N@H+](CC1CC1)CC(C)(C)[C@H](C)[NH3+] 85679648 572772084 /nfs/dbraw/zinc/77/20/84/572772084.db2.gz HRKRVZYNPDSGET-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@@H](C)C(C)(C)C[NH+]1CCCCC1 85678240 572772182 /nfs/dbraw/zinc/77/21/82/572772182.db2.gz SIBYNNPMMQCRGQ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)[NH3+] 85677897 572772364 /nfs/dbraw/zinc/77/23/64/572772364.db2.gz CGWOYHGMOXSSAX-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678354 572772408 /nfs/dbraw/zinc/77/24/08/572772408.db2.gz PESKGSAQWHAKPT-VHSXEESVSA-N 2 0 186.343 2.090 10 0 AEAERP CC[N@H+](CC(C)(C)[C@H](C)[NH3+])C(C)C 85678452 572772756 /nfs/dbraw/zinc/77/27/56/572772756.db2.gz MUJMMCPBPZPRNQ-JTQLQIEISA-N 2 0 186.343 2.090 10 0 AEAERP CC[N@H+](CC1CC1)CC(C)(C)[C@@H](C)[NH3+] 85679645 572772824 /nfs/dbraw/zinc/77/28/24/572772824.db2.gz HRKRVZYNPDSGET-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](CC(C)(C)[C@@H](C)[NH3+])C(C)C 85678450 572772888 /nfs/dbraw/zinc/77/28/88/572772888.db2.gz MUJMMCPBPZPRNQ-SNVBAGLBSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[N@H+](CC(C)C)[C@H](C)[C@@H](C)N 308128668 572783320 /nfs/dbraw/zinc/78/33/20/572783320.db2.gz CLNRKWNJRXYFLJ-GHMZBOCLSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[N@H+](CC(C)C)[C@H](C)[C@H](C)N 308128671 572784245 /nfs/dbraw/zinc/78/42/45/572784245.db2.gz CLNRKWNJRXYFLJ-WDEREUQCSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[N@H+](CC(C)C)[C@@H](C)[C@H](C)N 308128670 572785124 /nfs/dbraw/zinc/78/51/24/572785124.db2.gz CLNRKWNJRXYFLJ-QWRGUYRKSA-N 2 0 186.343 2.090 10 0 AEAERP C/C=C\CC[NH2+][C@@H](C)CCCC[NH3+] 308129069 572785164 /nfs/dbraw/zinc/78/51/64/572785164.db2.gz HBEHIPXQDXTSCW-BYCRGOAPSA-N 2 0 184.327 2.060 10 0 AEAERP CCC[N@H+](CC(C)C)[C@@H](C)[C@@H](C)N 308128669 572785318 /nfs/dbraw/zinc/78/53/18/572785318.db2.gz CLNRKWNJRXYFLJ-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP CC[NH+](CC)C(C)(C)[C@H]([NH2+]C)C1CC1 85739425 572788012 /nfs/dbraw/zinc/78/80/12/572788012.db2.gz LLOHASPTBKEVRZ-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@H]([NH3+])c1cc2[nH]ccc2cn1 713750915 572786635 /nfs/dbraw/zinc/78/66/35/572786635.db2.gz XEQPOXKVWWOIJQ-SECBINFHSA-N 2 0 189.262 2.363 10 0 AEAERP CCCC[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740248 572787347 /nfs/dbraw/zinc/78/73/47/572787347.db2.gz SKXDNODBLRZEFX-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@](C)([C@@H]([NH3+])C(C)(C)C)[NH+](C)C 85745424 572787643 /nfs/dbraw/zinc/78/76/43/572787643.db2.gz KIZIJDGEJPELOC-GXSJLCMTSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[C@H]([NH3+])c1cc2[nH]ccc2cn1 713750918 572787796 /nfs/dbraw/zinc/78/77/96/572787796.db2.gz XEQPOXKVWWOIJQ-VIFPVBQESA-N 2 0 189.262 2.363 10 0 AEAERP CC[C@](C)([C@H]([NH3+])C(C)(C)C)[NH+](C)C 85745416 572787880 /nfs/dbraw/zinc/78/78/80/572787880.db2.gz KIZIJDGEJPELOC-MWLCHTKSSA-N 2 0 186.343 2.090 10 0 AEAERP CC[NH2+][C@H](CC)C(C)(C)[NH+]1CCCC1 85740800 572787952 /nfs/dbraw/zinc/78/79/52/572787952.db2.gz RDIBLZOPEMNYHT-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H]([NH2+]C)C(C)(C)[NH+]1CCCC1 85740633 572788579 /nfs/dbraw/zinc/78/85/79/572788579.db2.gz OXFSBOYHCNQGCZ-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](CC)C(C)(C)[NH+]1CCCC1 85740796 572788744 /nfs/dbraw/zinc/78/87/44/572788744.db2.gz RDIBLZOPEMNYHT-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCC1 85740635 572789056 /nfs/dbraw/zinc/78/90/56/572789056.db2.gz OXFSBOYHCNQGCZ-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@](C)([C@@H]([NH3+])C(C)(C)C)[NH+](C)C 85745419 572790104 /nfs/dbraw/zinc/79/01/04/572790104.db2.gz KIZIJDGEJPELOC-ONGXEEELSA-N 2 0 186.343 2.090 10 0 AEAERP CC[NH+](CC)C(C)(C)[C@@H]([NH2+]C)C1CC1 85739427 572790514 /nfs/dbraw/zinc/79/05/14/572790514.db2.gz LLOHASPTBKEVRZ-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](CCC[NH3+])[C@@H](C)CC(C)C 308127777 572790591 /nfs/dbraw/zinc/79/05/91/572790591.db2.gz BZLRICKWSBHHTL-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+][C@@H](C(C)C)C(C)(C)[NH+]1CCCC1 85740736 572790647 /nfs/dbraw/zinc/79/06/47/572790647.db2.gz JYFMPWBAOKVYEG-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@H+](C)[C@H]1CC[NH2+][C@H](CC)C1 307769324 572790847 /nfs/dbraw/zinc/79/08/47/572790847.db2.gz LFPDZDRQFONBGJ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](CCC[NH3+])[C@H](C)CC(C)C 308127776 572791012 /nfs/dbraw/zinc/79/10/12/572791012.db2.gz BZLRICKWSBHHTL-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@](C)([C@H]([NH3+])C(C)(C)C)[NH+](C)C 85745413 572791258 /nfs/dbraw/zinc/79/12/58/572791258.db2.gz KIZIJDGEJPELOC-KOLCDFICSA-N 2 0 186.343 2.090 10 0 AEAERP CCCC[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740254 572791391 /nfs/dbraw/zinc/79/13/91/572791391.db2.gz SKXDNODBLRZEFX-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[N@H+](C)[C@H]1CC[NH2+][C@@H](CC)C1 307769326 572791572 /nfs/dbraw/zinc/79/15/72/572791572.db2.gz LFPDZDRQFONBGJ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[N@H+](C)[C@@H]1CC[NH2+][C@H](CC)C1 307769327 572791712 /nfs/dbraw/zinc/79/17/12/572791712.db2.gz LFPDZDRQFONBGJ-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[N@H+](C)[C@@H]1CC[NH2+][C@@H](CC)C1 307769325 572791821 /nfs/dbraw/zinc/79/18/21/572791821.db2.gz LFPDZDRQFONBGJ-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CC[N@@H+](C(C)C)CC[C@H](C)[NH2+]1 49663035 572792584 /nfs/dbraw/zinc/79/25/84/572792584.db2.gz NYUCELZOXRCFQM-NWDGAFQWSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@@H](C)[C@@](C)(CC)[NH+]1CCCC1 85749228 572792692 /nfs/dbraw/zinc/79/26/92/572792692.db2.gz YJYHDVKZEYYNOX-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H]1CC[N@@H+](C(C)C)CC[C@H](C)[NH2+]1 49663037 572792883 /nfs/dbraw/zinc/79/28/83/572792883.db2.gz NYUCELZOXRCFQM-RYUDHWBXSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@H]1CC[NH+](C(C)(C)C)CC[C@H](C)[NH2+]1 49662956 572793179 /nfs/dbraw/zinc/79/31/79/572793179.db2.gz ZYOJZJYRBFVMIS-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H]([NH2+]C)C(CC)(CC)[NH+](C)C 85750758 572793297 /nfs/dbraw/zinc/79/32/97/572793297.db2.gz PULDTKWIJYVKLO-SNVBAGLBSA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@H]1CC[N@@H+](C(C)(C)C)CCC[NH2+]1 49662943 572793515 /nfs/dbraw/zinc/79/35/15/572793515.db2.gz VNISCHUQAHJSLQ-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]([NH2+]C)[C@](C)(CC)[NH+]1CCCC1 85749071 572793600 /nfs/dbraw/zinc/79/36/00/572793600.db2.gz ONHPEXOXXKTGCS-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1CCC[NH2+][C@H](C)CC1 49662750 572793765 /nfs/dbraw/zinc/79/37/65/572793765.db2.gz QLSSHKPYDKOSJB-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H]1CC[N@@H+](C(C)C)C[C@H](C)C[NH2+]1 49663040 572794629 /nfs/dbraw/zinc/79/46/29/572794629.db2.gz SQEPESQFNVMDQN-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]1CC[NH+](C(C)(C)C)CC[C@@H](C)[NH2+]1 49662958 572794764 /nfs/dbraw/zinc/79/47/64/572794764.db2.gz ZYOJZJYRBFVMIS-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]([NH2+]C)[C@](C)(CC)[NH+]1CCCC1 85749069 572795213 /nfs/dbraw/zinc/79/52/13/572795213.db2.gz ONHPEXOXXKTGCS-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]([NH2+]C)[C@@](C)(CC)[NH+]1CCCC1 85749067 572795613 /nfs/dbraw/zinc/79/56/13/572795613.db2.gz ONHPEXOXXKTGCS-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](C)[C@@](C)(CC)[NH+]1CCCC1 85749224 572795961 /nfs/dbraw/zinc/79/59/61/572795961.db2.gz YJYHDVKZEYYNOX-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1CC[N@@H+](C(C)(C)C)C[C@H](C)C[NH2+]1 49662961 572796060 /nfs/dbraw/zinc/79/60/60/572796060.db2.gz OTNCRTYTCODVQX-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H]([NH2+]C)C(CC)(CC)[NH+](C)C 85750756 572796428 /nfs/dbraw/zinc/79/64/28/572796428.db2.gz PULDTKWIJYVKLO-JTQLQIEISA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@@H](C)[C@](C)(CC)[NH+]1CCCC1 85749226 572796491 /nfs/dbraw/zinc/79/64/91/572796491.db2.gz YJYHDVKZEYYNOX-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CC[N@@H+](C(C)C)C[C@H](C)C[NH2+]1 49663038 572796720 /nfs/dbraw/zinc/79/67/20/572796720.db2.gz SQEPESQFNVMDQN-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1CC[N@@H+](C(C)(C)C)CC[C@@H](C)[NH2+]1 49662954 572796739 /nfs/dbraw/zinc/79/67/39/572796739.db2.gz ZYOJZJYRBFVMIS-PHIMTYICSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@@H]1C 158274909 572797389 /nfs/dbraw/zinc/79/73/89/572797389.db2.gz JOUFYPCHYQLDQY-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](C(C)(C)C)C1 49662959 572797485 /nfs/dbraw/zinc/79/74/85/572797485.db2.gz OTNCRTYTCODVQX-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1CCC[NH2+][C@@H](C)CC1 49662751 572797516 /nfs/dbraw/zinc/79/75/16/572797516.db2.gz QLSSHKPYDKOSJB-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1CC[N@@H+](C(C)(C)C)CCC[NH2+]1 49662942 572797694 /nfs/dbraw/zinc/79/76/94/572797694.db2.gz VNISCHUQAHJSLQ-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+]C[C@H](C)N1C[C@H](C)C[C@@H]1C 158274735 572797854 /nfs/dbraw/zinc/79/78/54/572797854.db2.gz XNPFKTSVZSSTDA-WOPDTQHZSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1CC[N@H+](CC(C)C)CCC[NH2+]1 49664843 572798305 /nfs/dbraw/zinc/79/83/05/572798305.db2.gz KCJYDNCJFZELMU-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(C)(C)[N@@H+]1CCC[NH2+][C@@H](C)CC1 49664981 572798358 /nfs/dbraw/zinc/79/83/58/572798358.db2.gz ZECURHNFHMRVBA-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC(CC)([C@H]([NH2+]C)C1CC1)[NH+](C)C 85750852 572798396 /nfs/dbraw/zinc/79/83/96/572798396.db2.gz HCBFCXPDMVPJIE-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[C@@H](C)[NH+]1CCC[NH2+]CCC1 49666055 572798507 /nfs/dbraw/zinc/79/85/07/572798507.db2.gz FXCCCTUOWHANIK-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1CC[N@H+](CC(C)(C)C)CCC[NH2+]1 49667076 572798572 /nfs/dbraw/zinc/79/85/72/572798572.db2.gz LTHLLQGHXRYFRO-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C(C)C)C1([NH+](C)C)CCCC1 85752029 572798857 /nfs/dbraw/zinc/79/88/57/572798857.db2.gz GCVVACRUIOTYLA-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@@H+]1CCC[NH2+][C@@H](C)CC1 49664918 572798863 /nfs/dbraw/zinc/79/88/63/572798863.db2.gz CQBMGPUSAIQUBS-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 49663234 572799040 /nfs/dbraw/zinc/79/90/40/572799040.db2.gz YIKSRWACMDTGBF-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 49664858 572799082 /nfs/dbraw/zinc/79/90/82/572799082.db2.gz RJWJSUPLVSUUDS-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@@H+]1CC[C@H](C)[NH2+][C@H](C)CC1 49663233 572801412 /nfs/dbraw/zinc/80/14/12/572801412.db2.gz YIKSRWACMDTGBF-TXEJJXNPSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)C1([NH+](C)C)CCCCC1 85753240 572799277 /nfs/dbraw/zinc/79/92/77/572799277.db2.gz CGRCNDKYBHBCBG-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC(CC)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 49664936 572799379 /nfs/dbraw/zinc/79/93/79/572799379.db2.gz TUNPPFFAJRDPNZ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 49663236 572799514 /nfs/dbraw/zinc/79/95/14/572799514.db2.gz YIKSRWACMDTGBF-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[N@@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 49663237 572799604 /nfs/dbraw/zinc/79/96/04/572799604.db2.gz MBOHNAGRVITBQW-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@@H+]1CCC[NH2+][C@H](C)CC1 49664916 572799852 /nfs/dbraw/zinc/79/98/52/572799852.db2.gz CQBMGPUSAIQUBS-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH+]1CCC[NH2+]CCC1 49667263 572799961 /nfs/dbraw/zinc/79/99/61/572799961.db2.gz JGGYKXIDFDQRKG-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C(C)C)[NH+]1CCC[NH2+]CCC1 49667335 572800199 /nfs/dbraw/zinc/80/01/99/572800199.db2.gz QFLQZQKKSNXNQZ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[N@H+](C)C[C@H](C[NH3+])CC1CC1 405019193 572800455 /nfs/dbraw/zinc/80/04/55/572800455.db2.gz QNDLUZOJWAOROD-PWSUYJOCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[NH2+][C@H](CC)CC1 49664353 572800668 /nfs/dbraw/zinc/80/06/68/572800668.db2.gz DBHNUXXXIATFIX-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC(C)(C)[N@@H+]1CCC[NH2+][C@H](C)CC1 49664980 572800771 /nfs/dbraw/zinc/80/07/71/572800771.db2.gz ZECURHNFHMRVBA-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@@H+]1CC[C@@H](C)[NH2+][C@H](CC)CC1 49664954 572800783 /nfs/dbraw/zinc/80/07/83/572800783.db2.gz LBMQZNKFXXQTHI-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H]1CC[N@H+](CC(C)C)CCC[NH2+]1 49664845 572800945 /nfs/dbraw/zinc/80/09/45/572800945.db2.gz KCJYDNCJFZELMU-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@@H+]1CC[C@H](CC)[NH2+]C[C@H](C)C1 49664955 572801037 /nfs/dbraw/zinc/80/10/37/572801037.db2.gz AOEGMMRCUMDTOU-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CC[N@@H+](C2CCCC2)CCC[NH2+]1 49664886 572801062 /nfs/dbraw/zinc/80/10/62/572801062.db2.gz CFPUQZKZDLEJGT-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H](C)[C@@H](C)[NH+]1CCC[NH2+]CCC1 49667262 572801104 /nfs/dbraw/zinc/80/11/04/572801104.db2.gz JGGYKXIDFDQRKG-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1CC[N@@H+](C2CC2)CC[C@H](C)[NH2+]1 49664823 572801148 /nfs/dbraw/zinc/80/11/48/572801148.db2.gz VYZQMVGNCDEZJA-WDEREUQCSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H](C(C)C)C1([NH+](C)C)CCCC1 85752027 572801325 /nfs/dbraw/zinc/80/13/25/572801325.db2.gz GCVVACRUIOTYLA-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1CC[C@@H](CC)[NH2+]C[C@H](C)C1 49664957 572801333 /nfs/dbraw/zinc/80/13/33/572801333.db2.gz AOEGMMRCUMDTOU-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@@H+]1CCC[NH2+]C[C@H](C)C1 49664934 572802721 /nfs/dbraw/zinc/80/27/21/572802721.db2.gz TUNPPFFAJRDPNZ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C(C)C)[NH+]1CCC[NH2+]CCC1 49667337 572801551 /nfs/dbraw/zinc/80/15/51/572801551.db2.gz QFLQZQKKSNXNQZ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 49664857 572801644 /nfs/dbraw/zinc/80/16/44/572801644.db2.gz RJWJSUPLVSUUDS-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@H]([NH2+]C)C1([NH+](C)C)CCCC1 85751998 572801707 /nfs/dbraw/zinc/80/17/07/572801707.db2.gz QZQDEMUEHGLRGS-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H]1CC[N@@H+](C2CC2)CC[C@H](C)[NH2+]1 49664824 572801763 /nfs/dbraw/zinc/80/17/63/572801763.db2.gz VYZQMVGNCDEZJA-QWRGUYRKSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@H](C)[NH2+][C@H](C)CC1 49664368 572801771 /nfs/dbraw/zinc/80/17/71/572801771.db2.gz PTNUTTVQPNVHQA-GRYCIOLGSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[N@@H+]1CC[C@H](C)[NH2+][C@H](CC)CC1 49664952 572802265 /nfs/dbraw/zinc/80/22/65/572802265.db2.gz LBMQZNKFXXQTHI-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC(C)(C)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 49665001 572802498 /nfs/dbraw/zinc/80/24/98/572802498.db2.gz SKNUURFPQJEPID-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[N@@H+]1CC[C@H](C)[NH2+][C@H](C)CC1 49664855 572802511 /nfs/dbraw/zinc/80/25/11/572802511.db2.gz RJWJSUPLVSUUDS-TXEJJXNPSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)([C@@H]([NH2+]C)C1CC1)[NH+](C)C 85750854 572802560 /nfs/dbraw/zinc/80/25/60/572802560.db2.gz HCBFCXPDMVPJIE-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[C@H](C)[NH+]1CCC[NH2+]CCC1 49667266 572802620 /nfs/dbraw/zinc/80/26/20/572802620.db2.gz JGGYKXIDFDQRKG-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H](C)C1([NH+](C)C)CCCCC1 85753242 572802653 /nfs/dbraw/zinc/80/26/53/572802653.db2.gz CGRCNDKYBHBCBG-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]([NH2+]C)C1([NH+](C)C)CCCCC1 85753163 572802752 /nfs/dbraw/zinc/80/27/52/572802752.db2.gz JOJUEUAXZBJYCV-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[C@H](C)[NH+]1CCC[NH2+]CCC1 49667265 572802774 /nfs/dbraw/zinc/80/27/74/572802774.db2.gz JGGYKXIDFDQRKG-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CC[N@H+]([C@@H](C)CC)CCC[NH2+]1 49664355 572802816 /nfs/dbraw/zinc/80/28/16/572802816.db2.gz DBHNUXXXIATFIX-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 49664377 572802850 /nfs/dbraw/zinc/80/28/50/572802850.db2.gz VQMQVACFGGXUKL-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[C@H](C)[NH+]1CCC[NH2+]CCC1 49666056 572802881 /nfs/dbraw/zinc/80/28/81/572802881.db2.gz FXCCCTUOWHANIK-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H]([NH2+]C)C1([NH+](C)C)CCCC1 85751996 572802960 /nfs/dbraw/zinc/80/29/60/572802960.db2.gz QZQDEMUEHGLRGS-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H](C)[NH2+][C@H](C)CC1 49664370 572803193 /nfs/dbraw/zinc/80/31/93/572803193.db2.gz PTNUTTVQPNVHQA-TUAOUCFPSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@H]1CC[N@H+](CC(C)(C)C)CCC[NH2+]1 49667078 572803278 /nfs/dbraw/zinc/80/32/78/572803278.db2.gz LTHLLQGHXRYFRO-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]([NH2+]C)C1([NH+](C)C)CCCCC1 85753162 572803456 /nfs/dbraw/zinc/80/34/56/572803456.db2.gz JOJUEUAXZBJYCV-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC(C)(C)[N@@H+]1CCC[NH2+]C[C@H](C)C1 49664999 572803499 /nfs/dbraw/zinc/80/34/99/572803499.db2.gz SKNUURFPQJEPID-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 49663239 572803532 /nfs/dbraw/zinc/80/35/32/572803532.db2.gz MBOHNAGRVITBQW-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCCC[NH2+]CCCC[NH2+]C 198733002 572803720 /nfs/dbraw/zinc/80/37/20/572803720.db2.gz SRIVVUHCQJLCBB-UHFFFAOYSA-N 2 0 186.343 2.156 10 0 AEAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C1CCCCC1 49709183 572804831 /nfs/dbraw/zinc/80/48/31/572804831.db2.gz USANKBRMTDAJNI-WDEREUQCSA-N 2 0 196.338 2.131 10 0 AEAERP CC(C)=CC[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 235358173 572804957 /nfs/dbraw/zinc/80/49/57/572804957.db2.gz XHBAVDAUTRKWAJ-NEPJUHHUSA-N 2 0 196.338 2.025 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 49710781 572804970 /nfs/dbraw/zinc/80/49/70/572804970.db2.gz RWYMGWYPVBXIMZ-TUAOUCFPSA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 49710777 572805172 /nfs/dbraw/zinc/80/51/72/572805172.db2.gz RWYMGWYPVBXIMZ-QJPTWQEYSA-N 2 0 198.354 2.233 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)C(C)C)[C@H](C)C1 49710320 572805224 /nfs/dbraw/zinc/80/52/24/572805224.db2.gz BYEHGLHOWURGGU-GRYCIOLGSA-N 2 0 198.354 2.103 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 49710758 572805239 /nfs/dbraw/zinc/80/52/39/572805239.db2.gz MWISFKFPJXZKJJ-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 49713314 572805600 /nfs/dbraw/zinc/80/56/00/572805600.db2.gz RITNRNRXWMIVBC-BJDJZHNGSA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49710779 572805638 /nfs/dbraw/zinc/80/56/38/572805638.db2.gz RWYMGWYPVBXIMZ-SDDRHHMPSA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 49710759 572806087 /nfs/dbraw/zinc/80/60/87/572806087.db2.gz MWISFKFPJXZKJJ-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CCC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49709156 572806361 /nfs/dbraw/zinc/80/63/61/572806361.db2.gz DKWDIGJKOLVKKS-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCC[C@@H](C[NH3+])C1 713758810 572806506 /nfs/dbraw/zinc/80/65/06/572806506.db2.gz DHPSDWUZLRVNQK-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CCC(C)(C)[N@@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49709155 572806713 /nfs/dbraw/zinc/80/67/13/572806713.db2.gz DKWDIGJKOLVKKS-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C1CCCCC1 49709181 572806821 /nfs/dbraw/zinc/80/68/21/572806821.db2.gz USANKBRMTDAJNI-GHMZBOCLSA-N 2 0 196.338 2.131 10 0 AEAERP CCC(C)(C)[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49709140 572806941 /nfs/dbraw/zinc/80/69/41/572806941.db2.gz UADYHOAQIWMBBJ-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 49709141 572807009 /nfs/dbraw/zinc/80/70/09/572807009.db2.gz UADYHOAQIWMBBJ-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C(C)C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 49713460 572807020 /nfs/dbraw/zinc/80/70/20/572807020.db2.gz CBJUEORXEXLBLM-GRYCIOLGSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCCCC1 49709186 572807186 /nfs/dbraw/zinc/80/71/86/572807186.db2.gz USANKBRMTDAJNI-QWRGUYRKSA-N 2 0 196.338 2.131 10 0 AEAERP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49709096 572807231 /nfs/dbraw/zinc/80/72/31/572807231.db2.gz NUYUHFWWODWEEG-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 49713296 572807264 /nfs/dbraw/zinc/80/72/64/572807264.db2.gz FMFUNXDPWJFOFC-USZNOCQGSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[NH2+]CC[C@@H]1CCCC[N@@H+]1C 49754997 572807432 /nfs/dbraw/zinc/80/74/32/572807432.db2.gz LOGBFVMGUVTCSU-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCCCC1 49709184 572807802 /nfs/dbraw/zinc/80/78/02/572807802.db2.gz USANKBRMTDAJNI-MNOVXSKESA-N 2 0 196.338 2.131 10 0 AEAERP CC[C@H](C(C)C)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 49713470 572807839 /nfs/dbraw/zinc/80/78/39/572807839.db2.gz NDYVZGWZKWZPMV-SDDRHHMPSA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 49710782 572807898 /nfs/dbraw/zinc/80/78/98/572807898.db2.gz RWYMGWYPVBXIMZ-SRVKXCTJSA-N 2 0 198.354 2.233 10 0 AEAERP C[N@H+](CCC[NH3+])CCC1=CCCCC1 49811665 572814292 /nfs/dbraw/zinc/81/42/92/572814292.db2.gz CPPPIUZCRXHPEJ-UHFFFAOYSA-N 2 0 196.338 2.158 10 0 AEAERP CC[NH2+][C@@H](CC)CC[NH+](CC)CC 85795780 572816002 /nfs/dbraw/zinc/81/60/02/572816002.db2.gz XMRIZQYZYAUBOP-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH+](CC)CC[C@@H]([NH3+])CC(C)C 85795052 572816566 /nfs/dbraw/zinc/81/65/66/572816566.db2.gz FCENOTKWLXUGRD-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[C@@H]([NH3+])CC[NH+](CC)CC 85795020 572816665 /nfs/dbraw/zinc/81/66/65/572816665.db2.gz TULULQQVEIILIG-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CC[NH+](CC)CC[C@@H](CC1CC1)[NH2+]C 85795648 572816826 /nfs/dbraw/zinc/81/68/26/572816826.db2.gz QYKJFYGYOGFCBV-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H](CC)CC[NH+](CC)CC 85795783 572817346 /nfs/dbraw/zinc/81/73/46/572817346.db2.gz XMRIZQYZYAUBOP-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH+](CC)CC[C@@H]([NH3+])C1CCCC1 85795371 572817367 /nfs/dbraw/zinc/81/73/67/572817367.db2.gz HETLUQVGINYNKD-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+][C@@H](CC[NH+](CC)CC)C1CC1 85795884 572817447 /nfs/dbraw/zinc/81/74/47/572817447.db2.gz PFMYWFNHEHHFHS-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)CC[C@@H]([NH3+])CCC1CC1 85795339 572817604 /nfs/dbraw/zinc/81/76/04/572817604.db2.gz XFQWKNPZRPPEHS-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)CC[C@H]([NH3+])CCC1CC1 85795336 572817619 /nfs/dbraw/zinc/81/76/19/572817619.db2.gz XFQWKNPZRPPEHS-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)CC[C@@H]([NH3+])CC1CCC1 85795466 572817646 /nfs/dbraw/zinc/81/76/46/572817646.db2.gz ZORQTVVONPVQIU-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])CC1 235266760 572817852 /nfs/dbraw/zinc/81/78/52/572817852.db2.gz FKLUXFZSUCKETE-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+][C@H](CC[NH+](CC)CC)C1CC1 85795887 572818167 /nfs/dbraw/zinc/81/81/67/572818167.db2.gz PFMYWFNHEHHFHS-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)CC[C@H](CC1CC1)[NH2+]C 85795651 572819142 /nfs/dbraw/zinc/81/91/42/572819142.db2.gz QYKJFYGYOGFCBV-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](CC[NH+](CC)CC)[NH2+]C 85795563 572819150 /nfs/dbraw/zinc/81/91/50/572819150.db2.gz SVUMZFVXUXBCDH-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@@H](CC[NH+](CC)CC)[NH2+]C 85795562 572819229 /nfs/dbraw/zinc/81/92/29/572819229.db2.gz SVUMZFVXUXBCDH-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH+](CC)CC[C@H]([NH3+])CC(C)C 85795050 572819270 /nfs/dbraw/zinc/81/92/70/572819270.db2.gz FCENOTKWLXUGRD-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[C@H]([NH3+])CC[NH+](CC)CC 85795018 572819326 /nfs/dbraw/zinc/81/93/26/572819326.db2.gz TULULQQVEIILIG-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP [NH3+]CCCCCC[C@@H]1CCCCC[NH2+]1 238558678 572820410 /nfs/dbraw/zinc/82/04/10/572820410.db2.gz MMOCWUIWGSJOHH-GFCCVEGCSA-N 2 0 198.354 2.428 10 0 AEAERP [NH3+]CCCCCC[C@H]1CCCCC[NH2+]1 238558734 572820765 /nfs/dbraw/zinc/82/07/65/572820765.db2.gz MMOCWUIWGSJOHH-LBPRGKRZSA-N 2 0 198.354 2.428 10 0 AEAERP CC[C@H](C)[NH2+][C@](C)(CN)[C@@H](C)CC 308140799 572821235 /nfs/dbraw/zinc/82/12/35/572821235.db2.gz LAXBPKVNTIUCCU-GARJFASQSA-N 2 0 186.343 2.138 10 0 AEAERP CC[C@H](C)[NH2+][C@](C)(CN)[C@H](C)CC 308140800 572821588 /nfs/dbraw/zinc/82/15/88/572821588.db2.gz LAXBPKVNTIUCCU-OUAUKWLOSA-N 2 0 186.343 2.138 10 0 AEAERP CC[C@H](C)[NH2+][C@@](C)(CN)[C@H](C)CC 308140801 572822640 /nfs/dbraw/zinc/82/26/40/572822640.db2.gz LAXBPKVNTIUCCU-VWYCJHECSA-N 2 0 186.343 2.138 10 0 AEAERP CC[C@H](C)[NH2+][C@@](C)(CN)[C@@H](C)CC 308140798 572824210 /nfs/dbraw/zinc/82/42/10/572824210.db2.gz LAXBPKVNTIUCCU-DCAQKATOSA-N 2 0 186.343 2.138 10 0 AEAERP [NH3+]CCCCCCC1CCC([NH3+])CC1 238557588 572825105 /nfs/dbraw/zinc/82/51/05/572825105.db2.gz OYSKXWOCPDJIET-UHFFFAOYSA-N 2 0 198.354 2.413 10 0 AEAERP C[N@@H+]1CC[C@@H](CCC[NH3+])C(C)(C)CC1 75124789 572825760 /nfs/dbraw/zinc/82/57/60/572825760.db2.gz FWLDKVDMUCVNHQ-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[N@@H+]1CC[C@H](CCC[NH3+])C(C)(C)CC1 75124786 572828352 /nfs/dbraw/zinc/82/83/52/572828352.db2.gz FWLDKVDMUCVNHQ-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]C1CCC([N@H+](C)CC(C)C)CC1 85872798 572829464 /nfs/dbraw/zinc/82/94/64/572829464.db2.gz PUDPTYSGGNHKAI-UHFFFAOYSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](C)C1CCC([NH2+]CC)CC1 85872676 572829888 /nfs/dbraw/zinc/82/98/88/572829888.db2.gz GIBVDOHPNHIJHI-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+]CC[C@@H](C)[C@H]1CCC[NH2+]C1 87973662 572830267 /nfs/dbraw/zinc/83/02/67/572830267.db2.gz CSMSFSLEOJGLPD-NEPJUHHUSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[NH2+]C1CCC([N@H+](C)CC)CC1 85872591 572830640 /nfs/dbraw/zinc/83/06/40/572830640.db2.gz DONIVGVSCVPEHW-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[N@H+](C)C1CCC([NH2+]C)CC1 85872762 572830710 /nfs/dbraw/zinc/83/07/10/572830710.db2.gz XADDUOPJGPOERY-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[NH2+]CC[C@@H](C)[C@@H]1CCC[NH2+]C1 87973673 572831149 /nfs/dbraw/zinc/83/11/49/572831149.db2.gz UWJNJGYABLRKKS-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[NH2+]CC[C@H](C)[C@H]1CCC[NH2+]C1 87973680 572831470 /nfs/dbraw/zinc/83/14/70/572831470.db2.gz UWJNJGYABLRKKS-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[NH2+]CC[C@@H](C)[C@H]1CCC[NH2+]C1 87973678 572831500 /nfs/dbraw/zinc/83/15/00/572831500.db2.gz UWJNJGYABLRKKS-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[NH2+]CC[C@@H](C)[C@@H]1CCC[NH2+]C1 87973660 572831765 /nfs/dbraw/zinc/83/17/65/572831765.db2.gz CSMSFSLEOJGLPD-VXGBXAGGSA-N 2 0 198.354 2.012 10 0 AEAERP C/C=C/C[N@@H+](CC)C1CCC([NH3+])CC1 85870722 572831847 /nfs/dbraw/zinc/83/18/47/572831847.db2.gz RSADAZNBEVQYAQ-HWKANZROSA-N 2 0 196.338 2.154 10 0 AEAERP C/C=C/C[N@@H+](C)C1CCC([NH2+]C)CC1 85873470 572832075 /nfs/dbraw/zinc/83/20/75/572832075.db2.gz PSDCBWKDMNHXSS-SNAWJCMRSA-N 2 0 196.338 2.025 10 0 AEAERP CCC[NH2+]CC[C@H](C)[C@H]1CCC[NH2+]C1 87973663 572832116 /nfs/dbraw/zinc/83/21/16/572832116.db2.gz CSMSFSLEOJGLPD-RYUDHWBXSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[NH2+]CC[C@H](C)[C@@H]1CCC[NH2+]C1 87973661 572832320 /nfs/dbraw/zinc/83/23/20/572832320.db2.gz CSMSFSLEOJGLPD-NWDGAFQWSA-N 2 0 198.354 2.012 10 0 AEAERP CC[NH2+]C1CCC([N@H+](C)C(C)C)CC1 85872647 572832553 /nfs/dbraw/zinc/83/25/53/572832553.db2.gz ZFUYEGSWIUJVDR-UHFFFAOYSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[N@H+](C)C1CCC([NH2+]C)CC1 85872945 572832609 /nfs/dbraw/zinc/83/26/09/572832609.db2.gz WZVOCSIWIVGXJM-UNXYVOJBSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[NH2+]CC[C@H](C)[C@@H]1CCC[NH2+]C1 87973676 572832718 /nfs/dbraw/zinc/83/27/18/572832718.db2.gz UWJNJGYABLRKKS-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+][C@@H](C)[C@@](C)(CC)N(C)CC 308142327 572833742 /nfs/dbraw/zinc/83/37/42/572833742.db2.gz MBVFUBWWTXKXDS-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCCC[NH2+]CCCC[NH+]1CCCC1 75437667 572838090 /nfs/dbraw/zinc/83/80/90/572838090.db2.gz OKDLDPDAULUFMW-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@H]([NH3+])C1 71507425 572839223 /nfs/dbraw/zinc/83/92/23/572839223.db2.gz MYZYANABZHAHRL-GRYCIOLGSA-N 2 0 196.338 2.131 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H]([NH3+])C1 71507429 572840478 /nfs/dbraw/zinc/84/04/78/572840478.db2.gz NQZBVEAQRSXTIY-QJPTWQEYSA-N 2 0 196.338 2.131 10 0 AEAERP C[C@@H]1C[N@H+](CCCC[C@@H](C)[NH3+])C[C@@H]1C 86009415 572842616 /nfs/dbraw/zinc/84/26/16/572842616.db2.gz QOYKIHASEILEGV-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)CC[C@@H]([NH3+])C=C(C)C 86059087 572848204 /nfs/dbraw/zinc/84/82/04/572848204.db2.gz WRMRFEXTINEXRZ-LLVKDONJSA-N 2 0 184.327 2.012 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@H](C)CC(C)C 308145125 572848521 /nfs/dbraw/zinc/84/85/21/572848521.db2.gz XMQDXVPMOOYIPU-SNVBAGLBSA-N 2 0 186.343 2.009 10 0 AEAERP CC[NH+](CC)CC[C@H](C=C(C)C)[NH2+]C 86059094 572848914 /nfs/dbraw/zinc/84/89/14/572848914.db2.gz BBBZRLPVQAYRPL-GFCCVEGCSA-N 2 0 198.354 2.273 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@@H](C)CC(C)C 308145124 572851291 /nfs/dbraw/zinc/85/12/91/572851291.db2.gz XMQDXVPMOOYIPU-JTQLQIEISA-N 2 0 186.343 2.009 10 0 AEAERP CC(C)C[C@@H]1[C@H]([NH3+])C[C@H](C)[N@H+](C)[C@@H]1C 257584227 572852451 /nfs/dbraw/zinc/85/24/51/572852451.db2.gz DQMAZGMMKLBCRH-WHOHXGKFSA-N 2 0 198.354 2.089 10 0 AEAERP CC(C)C[C@@H]1[C@H]([NH3+])C[C@@H](C)[N@H+](C)[C@@H]1C 257584231 572854066 /nfs/dbraw/zinc/85/40/66/572854066.db2.gz DQMAZGMMKLBCRH-WISYIIOYSA-N 2 0 198.354 2.089 10 0 AEAERP CC(C)C[C@H]1[C@H](C)[N@@H+](C)[C@@H](C)C[C@H]1[NH3+] 257584220 572854233 /nfs/dbraw/zinc/85/42/33/572854233.db2.gz DQMAZGMMKLBCRH-FIQHERPVSA-N 2 0 198.354 2.089 10 0 AEAERP CC(C)C[C@H]1[C@H](C)[N@@H+](C)[C@H](C)C[C@H]1[NH3+] 257584223 572854429 /nfs/dbraw/zinc/85/44/29/572854429.db2.gz DQMAZGMMKLBCRH-NOOOWODRSA-N 2 0 198.354 2.089 10 0 AEAERP CCCC[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015647 572855210 /nfs/dbraw/zinc/85/52/10/572855210.db2.gz SSRWJOPZCDQIQB-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[NH+](CCCC(C)(C)[NH3+])C[C@@H]1C 86015272 572855520 /nfs/dbraw/zinc/85/55/20/572855520.db2.gz BWMANGGGSNGQHO-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H]([NH3+])C[NH+]1C[C@@H](C)[C@H](C)C1 86015650 572855800 /nfs/dbraw/zinc/85/58/00/572855800.db2.gz SSRWJOPZCDQIQB-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1C[N@@H+](CCCC(C)(C)[NH3+])C[C@@H]1C 86015267 572856178 /nfs/dbraw/zinc/85/61/78/572856178.db2.gz BWMANGGGSNGQHO-PHIMTYICSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@](C)([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015360 572856487 /nfs/dbraw/zinc/85/64/87/572856487.db2.gz OSHRVJJRKKHKGJ-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@](C)([NH3+])C[NH+]1C[C@@H](C)[C@H](C)C1 86015363 572856566 /nfs/dbraw/zinc/85/65/66/572856566.db2.gz OSHRVJJRKKHKGJ-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@](C)([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015356 572856620 /nfs/dbraw/zinc/85/66/20/572856620.db2.gz OSHRVJJRKKHKGJ-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015644 572857116 /nfs/dbraw/zinc/85/71/16/572857116.db2.gz SSRWJOPZCDQIQB-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1C[NH+](CCCC(C)(C)[NH3+])C[C@H]1C 86015273 572857162 /nfs/dbraw/zinc/85/71/62/572857162.db2.gz BWMANGGGSNGQHO-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](CC)C[C@@H]1C=C[C@@H]([NH3+])C1 86094173 572865720 /nfs/dbraw/zinc/86/57/20/572865720.db2.gz YOWLEVRBRBGLLL-VXGBXAGGSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[NH+](CCC)C[C@H]1C=C[C@@H]([NH3+])C1 86094148 572863761 /nfs/dbraw/zinc/86/37/61/572863761.db2.gz UMUMEFMWFWALOL-NWDGAFQWSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[N@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)C(C)C 86094377 572863997 /nfs/dbraw/zinc/86/39/97/572863997.db2.gz XLJUUKUIHRXNOF-VXGBXAGGSA-N 2 0 196.338 2.010 10 0 AEAERP CCC[NH+](CCC)C[C@@H]1C=C[C@H]([NH3+])C1 86094156 572864049 /nfs/dbraw/zinc/86/40/49/572864049.db2.gz UMUMEFMWFWALOL-NEPJUHHUSA-N 2 0 196.338 2.012 10 0 AEAERP CCCCC[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094420 572864832 /nfs/dbraw/zinc/86/48/32/572864832.db2.gz QTXLGRJOPYSYJA-VXGBXAGGSA-N 2 0 196.338 2.012 10 0 AEAERP CCCCC[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094418 572865160 /nfs/dbraw/zinc/86/51/60/572865160.db2.gz QTXLGRJOPYSYJA-NWDGAFQWSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[NH2+][C@@H](CC)CN1CCC[C@@H]1C 50179403 572865178 /nfs/dbraw/zinc/86/51/78/572865178.db2.gz XXFKCARQYSMIAK-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@H]1C=C[C@@H]([NH3+])C1 86094415 572865232 /nfs/dbraw/zinc/86/52/32/572865232.db2.gz DPJQAEIDQZFSKY-SDDRHHMPSA-N 2 0 196.338 2.010 10 0 AEAERP CCCC[N@H+](CC)C[C@H]1C=C[C@@H]([NH3+])C1 86094171 572865815 /nfs/dbraw/zinc/86/58/15/572865815.db2.gz YOWLEVRBRBGLLL-NWDGAFQWSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[NH+](CCC)C[C@H]1C=C[C@H]([NH3+])C1 86094155 572865988 /nfs/dbraw/zinc/86/59/88/572865988.db2.gz UMUMEFMWFWALOL-RYUDHWBXSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[N@H+](C[C@H]1C=C[C@@H]([NH3+])C1)C(C)C 86094376 572866038 /nfs/dbraw/zinc/86/60/38/572866038.db2.gz XLJUUKUIHRXNOF-NWDGAFQWSA-N 2 0 196.338 2.010 10 0 AEAERP CCC[NH+](CCC)C[C@@H]1C=C[C@@H]([NH3+])C1 86094151 572866116 /nfs/dbraw/zinc/86/61/16/572866116.db2.gz UMUMEFMWFWALOL-VXGBXAGGSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094535 572867587 /nfs/dbraw/zinc/86/75/87/572867587.db2.gz ACUCTFVQLSCHDR-SDDRHHMPSA-N 2 0 196.338 2.010 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86095914 572868003 /nfs/dbraw/zinc/86/80/03/572868003.db2.gz SFXRRNHTLXLYSL-GHMZBOCLSA-N 2 0 196.338 2.010 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1C=C[C@@H]([NH3+])C1 86095510 572868479 /nfs/dbraw/zinc/86/84/79/572868479.db2.gz IHVQTJBGUIQCOS-QJPTWQEYSA-N 2 0 196.338 2.058 10 0 AEAERP CCC(CC)[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094528 572868720 /nfs/dbraw/zinc/86/87/20/572868720.db2.gz GMURXBUEZVAMQN-GHMZBOCLSA-N 2 0 196.338 2.010 10 0 AEAERP CCC(CC)[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094525 572869240 /nfs/dbraw/zinc/86/92/40/572869240.db2.gz GMURXBUEZVAMQN-WDEREUQCSA-N 2 0 196.338 2.010 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H]1C=C[C@@H]([NH3+])C1 86095505 572869478 /nfs/dbraw/zinc/86/94/78/572869478.db2.gz IHVQTJBGUIQCOS-SDDRHHMPSA-N 2 0 196.338 2.058 10 0 AEAERP CCCC(CCC)[N@@H+]1CC[C@H](C[NH3+])C1 50245412 572870797 /nfs/dbraw/zinc/87/07/97/572870797.db2.gz XDWMEQUKUNUZMO-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(CCC[NH3+])[NH2+]C1CCCC1 308155368 572875913 /nfs/dbraw/zinc/87/59/13/572875913.db2.gz AJBUKYWDTLDFHM-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP CCCC[C@@H](CC)[N@H+](C)C[C@H](C)N 308162548 572877232 /nfs/dbraw/zinc/87/72/32/572877232.db2.gz XOUDWNSIDLVNIH-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CCCC[C@@H](CC)[N@H+](C)C[C@@H](C)N 308162544 572877262 /nfs/dbraw/zinc/87/72/62/572877262.db2.gz XOUDWNSIDLVNIH-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@](C)([C@H](C)N)[N@H+](C)CC(C)C 308158984 572879567 /nfs/dbraw/zinc/87/95/67/572879567.db2.gz VOJCZZRMGKGPIC-WDEREUQCSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@@](C)([C@H](C)N)[N@H+](C)CC(C)C 308158983 572880649 /nfs/dbraw/zinc/88/06/49/572880649.db2.gz VOJCZZRMGKGPIC-QWRGUYRKSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@@](C)([C@@H](C)N)[N@H+](C)CC(C)C 308158982 572881146 /nfs/dbraw/zinc/88/11/46/572881146.db2.gz VOJCZZRMGKGPIC-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP C[C@H]([NH3+])CC(C)(C)[NH2+]C1CCCCC1 75600943 572882841 /nfs/dbraw/zinc/88/28/41/572882841.db2.gz ZKRSEUBKYMIMQG-JTQLQIEISA-N 2 0 198.354 2.425 10 0 AEAERP C[C@@H]([NH3+])CC(C)(C)[NH2+]C1CCCCC1 75600945 572884140 /nfs/dbraw/zinc/88/41/40/572884140.db2.gz ZKRSEUBKYMIMQG-SNVBAGLBSA-N 2 0 198.354 2.425 10 0 AEAERP CC[NH2+]C/C=C/c1cncn1C(C)C 86227711 572891315 /nfs/dbraw/zinc/89/13/15/572891315.db2.gz CKKYQANOEFMCBD-AATRIKPKSA-N 2 0 193.294 2.087 10 0 AEAERP CC(C)([NH3+])CC[NH2+]C1C(C)(C)C1(C)C 86241185 572898080 /nfs/dbraw/zinc/89/80/80/572898080.db2.gz GARYSMDKWAYFSX-UHFFFAOYSA-N 2 0 198.354 2.138 10 0 AEAERP C[NH2+]CCCC[NH2+]C1C(C)(C)C1(C)C 86241108 572898341 /nfs/dbraw/zinc/89/83/41/572898341.db2.gz ZHKMTZJPPZWEFY-UHFFFAOYSA-N 2 0 198.354 2.010 10 0 AEAERP CC1(C)C([NH2+]CCCCC[NH3+])C1(C)C 86241244 572898397 /nfs/dbraw/zinc/89/83/97/572898397.db2.gz PEQQFINVAOHCEG-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH2+]CCC[NH2+]C1C(C)(C)C1(C)C 86241114 572898642 /nfs/dbraw/zinc/89/86/42/572898642.db2.gz CFZSQVIKEZBZQO-UHFFFAOYSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H]([NH3+])C[NH2+]C1C(C)(C)C1(C)C 86241212 572898922 /nfs/dbraw/zinc/89/89/22/572898922.db2.gz AUAYQJXFLAZLKF-VIFPVBQESA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]C1C(C)(C)C1(C)C 86241230 572899138 /nfs/dbraw/zinc/89/91/38/572899138.db2.gz ZEPLLPQWHRQXPV-SECBINFHSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H]([NH3+])C[NH2+]C1C(C)(C)C1(C)C 86241213 572899780 /nfs/dbraw/zinc/89/97/80/572899780.db2.gz AUAYQJXFLAZLKF-SECBINFHSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]C1C(C)(C)C1(C)C 86241229 572899852 /nfs/dbraw/zinc/89/98/52/572899852.db2.gz ZEPLLPQWHRQXPV-VIFPVBQESA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H](C[NH3+])CC[NH+]1CCC(C)CC1 87989117 572902315 /nfs/dbraw/zinc/90/23/15/572902315.db2.gz XKQRCHPEDYDUIJ-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])CC[NH+]1CCC(C)CC1 87989119 572902245 /nfs/dbraw/zinc/90/22/45/572902245.db2.gz XKQRCHPEDYDUIJ-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86273209 572902504 /nfs/dbraw/zinc/90/25/04/572902504.db2.gz JMHWNRJUIPFLTP-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C[NH3+])CC[N@@H+]1CCCC[C@@H]1C 87989137 572902524 /nfs/dbraw/zinc/90/25/24/572902524.db2.gz ZSCHZDVRVIMDOX-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C[NH3+])CC[N@@H+]1CCC[C@H](C)C1 87989167 572902654 /nfs/dbraw/zinc/90/26/54/572902654.db2.gz IBTVWAGCECYMSF-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@H+](C[C@H]1CC[NH2+][C@@H]1C)C(C)C 86272574 572902911 /nfs/dbraw/zinc/90/29/11/572902911.db2.gz JOJFPJQXCGXPDO-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272643 572902957 /nfs/dbraw/zinc/90/29/57/572902957.db2.gz ONLDWQVHHWAOKG-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C[NH3+])CC[NH+]1CCCCCC1 87989175 572902970 /nfs/dbraw/zinc/90/29/70/572902970.db2.gz KDYSROJWFHEMTR-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[NH+](CCC)C[C@@H]1CC[NH2+][C@@H]1C 86272483 572902988 /nfs/dbraw/zinc/90/29/88/572902988.db2.gz IDKFXUYNQMVJJF-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H]1C)C(C)C 86272573 572903024 /nfs/dbraw/zinc/90/30/24/572903024.db2.gz JOJFPJQXCGXPDO-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C[NH3+])CC[N@@H+]1CCC[C@H](C)C1 87989169 572903052 /nfs/dbraw/zinc/90/30/52/572903052.db2.gz IBTVWAGCECYMSF-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[NH+](CCC)C[C@H]1CC[NH2+][C@@H]1C 86272484 572903354 /nfs/dbraw/zinc/90/33/54/572903354.db2.gz IDKFXUYNQMVJJF-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH+](CCC)C[C@H]1CC[NH2+][C@H]1C 86272486 572903471 /nfs/dbraw/zinc/90/34/71/572903471.db2.gz IDKFXUYNQMVJJF-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@@H]1CC[NH2+][C@@H]1C 86272588 572903477 /nfs/dbraw/zinc/90/34/77/572903477.db2.gz QAXUVEIFBMOYLT-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272644 572903492 /nfs/dbraw/zinc/90/34/92/572903492.db2.gz ONLDWQVHHWAOKG-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H]1C 86273044 572903950 /nfs/dbraw/zinc/90/39/50/572903950.db2.gz NZXKNCOSDHAHFP-TUAOUCFPSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[N@H+](CC)C[C@H]1CC[NH2+][C@@H]1C 86272494 572904233 /nfs/dbraw/zinc/90/42/33/572904233.db2.gz MOROXYOGEBLILE-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H]1C 86273046 572904566 /nfs/dbraw/zinc/90/45/66/572904566.db2.gz NZXKNCOSDHAHFP-QJPTWQEYSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272646 572904625 /nfs/dbraw/zinc/90/46/25/572904625.db2.gz JTKDFWCOQGHIBT-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH+](CCC)C[C@@H]1CC[NH2+][C@H]1C 86272485 572904760 /nfs/dbraw/zinc/90/47/60/572904760.db2.gz IDKFXUYNQMVJJF-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](CC)C[C@@H]1CC[NH2+][C@@H]1C 86272493 572904905 /nfs/dbraw/zinc/90/49/05/572904905.db2.gz MOROXYOGEBLILE-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86273208 572905227 /nfs/dbraw/zinc/90/52/27/572905227.db2.gz JMHWNRJUIPFLTP-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCCCCC[NH2+]CCC(C)(C)[NH3+] 308183645 572906212 /nfs/dbraw/zinc/90/62/12/572906212.db2.gz DULBOYVWTLQYEG-UHFFFAOYSA-N 2 0 186.343 2.284 10 0 AEAERP CCC1CC[NH+]([C@@H](C)[C@H](C)C[NH3+])CC1 86310876 572908740 /nfs/dbraw/zinc/90/87/40/572908740.db2.gz QBSWUGIWFXOWSV-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 86311094 572908749 /nfs/dbraw/zinc/90/87/49/572908749.db2.gz FBFHYWBPFXFXHA-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCCC1 86311026 572908756 /nfs/dbraw/zinc/90/87/56/572908756.db2.gz NNMVUIAEEHLSLO-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](C)CC[C@@H](CC)C[NH3+] 87998707 572910794 /nfs/dbraw/zinc/91/07/94/572910794.db2.gz PROXWDVKKDZFDS-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[NH+](CCC)[C@H](C)[C@H](C)C[NH3+] 86311203 572908801 /nfs/dbraw/zinc/90/88/01/572908801.db2.gz DBRSQORIPHLDHR-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[NH+](CCC)[C@@H](C)[C@H](C)C[NH3+] 86311202 572910551 /nfs/dbraw/zinc/91/05/51/572910551.db2.gz DBRSQORIPHLDHR-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP CCC[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCCC1 86311028 572909207 /nfs/dbraw/zinc/90/92/07/572909207.db2.gz NNMVUIAEEHLSLO-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)[C@H](C)[C@@H](C)C[NH2+]C1CC1 86311095 572909408 /nfs/dbraw/zinc/90/94/08/572909408.db2.gz FBFHYWBPFXFXHA-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCCC1 86311027 572909493 /nfs/dbraw/zinc/90/94/93/572909493.db2.gz NNMVUIAEEHLSLO-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CCCC[NH3+])CC(C)C 308185037 572909661 /nfs/dbraw/zinc/90/96/61/572909661.db2.gz FBQCJCSMUFTNIM-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CC(C)[N@H+](CC1CC1)[C@H](C)[C@@H](C)C[NH3+] 86310847 572909695 /nfs/dbraw/zinc/90/96/95/572909695.db2.gz JCJKVIBHXOKWHN-WDEREUQCSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@@H](C[NH3+])CC[NH2+]C1(C)CCCCC1 87999382 572910842 /nfs/dbraw/zinc/91/08/42/572910842.db2.gz SMXYPKFZTMTFMW-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCCC1 86311038 572909961 /nfs/dbraw/zinc/90/99/61/572909961.db2.gz OIYQBCGDPSYSLY-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[N@H+](CC1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86310846 572909978 /nfs/dbraw/zinc/90/99/78/572909978.db2.gz JCJKVIBHXOKWHN-QWRGUYRKSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)C[NH2+]C 86310964 572910014 /nfs/dbraw/zinc/91/00/14/572910014.db2.gz YOCOHFFDPDJQLZ-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCCCCC1 86311155 572910029 /nfs/dbraw/zinc/91/00/29/572910029.db2.gz ZDRATLGFNOICTR-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCCCCC1 86311153 572910845 /nfs/dbraw/zinc/91/08/45/572910845.db2.gz ZDRATLGFNOICTR-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@H+](CC)[C@H](C)[C@@H]1C 86303174 572910218 /nfs/dbraw/zinc/91/02/18/572910218.db2.gz RIFJSBLIWFYYNO-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@H](C)[C@H](C)[NH+]1CCCC1 86311029 572910264 /nfs/dbraw/zinc/91/02/64/572910264.db2.gz NNMVUIAEEHLSLO-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[NH2+]C[C@H](C)[C@H](C)[NH+]1CCCC1 86311041 572910317 /nfs/dbraw/zinc/91/03/17/572910317.db2.gz OIYQBCGDPSYSLY-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@H](C)[C@H](C)[NH+]1CCCCCC1 86311154 572910354 /nfs/dbraw/zinc/91/03/54/572910354.db2.gz ZDRATLGFNOICTR-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCCCCC1 86311152 572910392 /nfs/dbraw/zinc/91/03/92/572910392.db2.gz ZDRATLGFNOICTR-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC1CC[NH+]([C@H](C)[C@H](C)C[NH3+])CC1 86310877 572910434 /nfs/dbraw/zinc/91/04/34/572910434.db2.gz QBSWUGIWFXOWSV-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCCC1 86311040 572910460 /nfs/dbraw/zinc/91/04/60/572910460.db2.gz OIYQBCGDPSYSLY-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH+](CCC)CC[C@H](C)C[NH3+] 87998700 572910876 /nfs/dbraw/zinc/91/08/76/572910876.db2.gz MMHZHSTWVYGRQJ-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC[NH+](CC)[C@H](C)[C@H](C)C[NH2+]C1CC1 86311097 572910877 /nfs/dbraw/zinc/91/08/77/572910877.db2.gz FBFHYWBPFXFXHA-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH+](CCC)[C@H](C)[C@@H](C)C[NH3+] 86311201 572910609 /nfs/dbraw/zinc/91/06/09/572910609.db2.gz DBRSQORIPHLDHR-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[N@H+](CC)CC[C@H](C)C[NH3+] 87998712 572910741 /nfs/dbraw/zinc/91/07/41/572910741.db2.gz TUTZHWNEFZUIJH-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCCC[C@H](C)[NH2+]CC[C@@H](C)C[NH3+] 87999468 572910672 /nfs/dbraw/zinc/91/06/72/572910672.db2.gz UOKPWGUPYURNBU-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP C[C@@H](C[NH3+])CC[NH+]1CCC(C)(C)CC1 87999536 572911077 /nfs/dbraw/zinc/91/10/77/572911077.db2.gz BNUFZSYRZXDGIW-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@@H+]1CC[C@H]([NH2+]CC)[C@H](C)[C@@H]1C 86303269 572911025 /nfs/dbraw/zinc/91/10/25/572911025.db2.gz BIQHPZHVZQCHFM-WOPDTQHZSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[C@H](C)[NH2+]CC[C@H](C)C[NH3+] 87999470 572911036 /nfs/dbraw/zinc/91/10/36/572911036.db2.gz UOKPWGUPYURNBU-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCCC1 86311039 572911062 /nfs/dbraw/zinc/91/10/62/572911062.db2.gz OIYQBCGDPSYSLY-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH+](CCC)[C@@H](C)[C@@H](C)C[NH3+] 86311200 572911118 /nfs/dbraw/zinc/91/11/18/572911118.db2.gz DBRSQORIPHLDHR-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+]C[C@H](C)[C@H](C)[N@@H+]1CCCC[C@H]1C 86311102 572911171 /nfs/dbraw/zinc/91/11/71/572911171.db2.gz JWGVKOGKOPYTLN-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CCC1CC[NH+]([C@H](C)[C@@H](C)C[NH3+])CC1 86310875 572911237 /nfs/dbraw/zinc/91/12/37/572911237.db2.gz QBSWUGIWFXOWSV-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[NH3+])CC[N@H+](C)C1CCCCC1 87998716 572911273 /nfs/dbraw/zinc/91/12/73/572911273.db2.gz VPSRMZJMJIAOMA-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)[C@@H](C)[C@H](C)C[NH2+]C1CC1 86311096 572911274 /nfs/dbraw/zinc/91/12/74/572911274.db2.gz FBFHYWBPFXFXHA-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[C@@H](C)[NH2+]CC[C@H](C)C[NH3+] 87999469 572911281 /nfs/dbraw/zinc/91/12/81/572911281.db2.gz UOKPWGUPYURNBU-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP C[C@H](C[NH3+])CC[NH2+]C1(C)CCCCC1 87999381 572911374 /nfs/dbraw/zinc/91/13/74/572911374.db2.gz SMXYPKFZTMTFMW-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303005 572911404 /nfs/dbraw/zinc/91/14/04/572911404.db2.gz YCOIZVXOBSDOPZ-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]C[C@H](C)[C@H](C)[N@@H+]1CCCC[C@@H]1C 86311103 572911428 /nfs/dbraw/zinc/91/14/28/572911428.db2.gz JWGVKOGKOPYTLN-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC1CC[NH+]([C@@H](C)[C@@H](C)C[NH3+])CC1 86310874 572911505 /nfs/dbraw/zinc/91/15/05/572911505.db2.gz QBSWUGIWFXOWSV-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](C[NH3+])CC[NH+]1CCC(C)(C)CC1 87999535 572911578 /nfs/dbraw/zinc/91/15/78/572911578.db2.gz BNUFZSYRZXDGIW-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCC[NH+](CCC)CC[C@@H](C)C[NH3+] 87998699 572911545 /nfs/dbraw/zinc/91/15/45/572911545.db2.gz MMHZHSTWVYGRQJ-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCCC[N@H+](CC)CC[C@@H](C)C[NH3+] 87998711 572911663 /nfs/dbraw/zinc/91/16/63/572911663.db2.gz TUTZHWNEFZUIJH-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP C[C@H](C[NH3+])CC[N@H+](C)C1CCCCC1 87998715 572911753 /nfs/dbraw/zinc/91/17/53/572911753.db2.gz VPSRMZJMJIAOMA-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[C@@H](C)[NH2+]CC[C@@H](C)C[NH3+] 87999467 572911762 /nfs/dbraw/zinc/91/17/62/572911762.db2.gz UOKPWGUPYURNBU-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP C[C@@H](C[NH3+])[C@@H](C)[N@H+](C)CC1CCCC1 86312564 572911777 /nfs/dbraw/zinc/91/17/77/572911777.db2.gz DGAUHPPPLWVQOE-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](C)CC[C@H](CC)C[NH3+] 87998708 572911780 /nfs/dbraw/zinc/91/17/80/572911780.db2.gz PROXWDVKKDZFDS-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)C1CC1 86311477 572911796 /nfs/dbraw/zinc/91/17/96/572911796.db2.gz OPCYLOHLMQESCD-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)C1CC1 86311478 572912275 /nfs/dbraw/zinc/91/22/75/572912275.db2.gz OPCYLOHLMQESCD-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)C1CC1 86311490 572911941 /nfs/dbraw/zinc/91/19/41/572911941.db2.gz BUXURYRMORSYBW-MNOVXSKESA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+]C[C@H](C)[C@H](C)[N@H+](C)C1CCCC1 86311462 572911974 /nfs/dbraw/zinc/91/19/74/572911974.db2.gz ZCMVXFYHWXLYIA-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1CCC[N@@H+]([C@@H](C)[C@@H](C)C[NH3+])C1 86311794 572912042 /nfs/dbraw/zinc/91/20/42/572912042.db2.gz ASRTWLIAJWYHAS-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](C[NH3+])[C@@H](C)[N@H+](C)C1CCCCC1 86311247 572912079 /nfs/dbraw/zinc/91/20/79/572912079.db2.gz WMSZVEGQNXZTJG-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[N@H+](CC[C@@H](C)C[NH3+])C1CC1 87999145 572912203 /nfs/dbraw/zinc/91/22/03/572912203.db2.gz OWRFCKUSQVAJGO-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]C[C@@H](C)[C@@H](C)[N@H+](C)C1CCCC1 86311461 572912178 /nfs/dbraw/zinc/91/21/78/572912178.db2.gz ZCMVXFYHWXLYIA-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH2+]C 86311550 572912194 /nfs/dbraw/zinc/91/21/94/572912194.db2.gz ZMUOGGVCSMSBGJ-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+]1CCCC1(C)C 86312510 572912286 /nfs/dbraw/zinc/91/22/86/572912286.db2.gz JTJXSPALEGJXRC-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)C1CCCC1 86311460 572912319 /nfs/dbraw/zinc/91/23/19/572912319.db2.gz ZCMVXFYHWXLYIA-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86312076 572912402 /nfs/dbraw/zinc/91/24/02/572912402.db2.gz VOHFBCNTBBKSLE-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[N@H+](CC[C@H](C)C[NH3+])C1CC1 87999258 572912407 /nfs/dbraw/zinc/91/24/07/572912407.db2.gz WUSCVYAZBVQDJB-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCC1CC[NH+](CC[C@@H](C)C[NH3+])CC1 87999067 572913032 /nfs/dbraw/zinc/91/30/32/572913032.db2.gz FBHXDIOSRMGOIH-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@H+](CC)[C@H](C)[C@@H](C)C[NH3+] 86311235 572912513 /nfs/dbraw/zinc/91/25/13/572912513.db2.gz AOLXFOSLWVUCNW-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CCC(CC)[N@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86311741 572912541 /nfs/dbraw/zinc/91/25/41/572912541.db2.gz SQEKPQPFWFZURL-VHSXEESVSA-N 2 0 186.343 2.090 10 0 AEAERP CCC1CC[NH+](CC[C@H](C)C[NH3+])CC1 87999068 572912612 /nfs/dbraw/zinc/91/26/12/572912612.db2.gz FBHXDIOSRMGOIH-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](C[NH3+])CC[N@H+](C)CC1CCC1 87999530 572912646 /nfs/dbraw/zinc/91/26/46/572912646.db2.gz AVNTXHMFRIFPRU-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@@H+](C1CCCC1)[C@@H](C)[C@@H](C)C[NH3+] 86311702 572912661 /nfs/dbraw/zinc/91/26/61/572912661.db2.gz HXJGAPSQGFHNIA-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](CC)[C@@H](C)[C@@H](C)C[NH3+] 86311591 572912711 /nfs/dbraw/zinc/91/27/11/572912711.db2.gz GWRQCTIQUXYAGJ-DCAQKATOSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)C[N@H+](CC[C@@H](C)C[NH3+])C1CC1 87999257 572913502 /nfs/dbraw/zinc/91/35/02/572913502.db2.gz WUSCVYAZBVQDJB-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[NH3+])[C@H](C)[N@H+](C)C1CCCCC1 86311248 572912809 /nfs/dbraw/zinc/91/28/09/572912809.db2.gz WMSZVEGQNXZTJG-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](CC[C@@H](C)C[NH3+])CC1CC1 87999135 572912888 /nfs/dbraw/zinc/91/28/88/572912888.db2.gz SKWMIELQFNJLDR-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[N@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 86311264 572912894 /nfs/dbraw/zinc/91/28/94/572912894.db2.gz JTNGUZQEQDSZEO-QWRGUYRKSA-N 2 0 198.354 2.103 10 0 AEAERP CCC[N@H+](C)[C@H](C)[C@@H](C)C[NH2+]C1CC1 86311455 572912924 /nfs/dbraw/zinc/91/29/24/572912924.db2.gz UPRLAIJBVDCLNK-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@H+](CC)[C@@H](C)[C@@H](C)C[NH3+] 86311234 572913027 /nfs/dbraw/zinc/91/30/27/572913027.db2.gz AOLXFOSLWVUCNW-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+]C[C@@H](C)[C@@H](C)[N@@H+]1CCCC1(C)C 86312511 572913072 /nfs/dbraw/zinc/91/30/72/572913072.db2.gz JTJXSPALEGJXRC-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[N@H+](CC[C@@H](C)C[NH3+])CC1CC1 87999273 572913120 /nfs/dbraw/zinc/91/31/20/572913120.db2.gz XHVBHPIYBSXAQY-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC[C@H](C)C[NH3+])CC1CC1 87999136 572913200 /nfs/dbraw/zinc/91/32/00/572913200.db2.gz SKWMIELQFNJLDR-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C[NH3+])[C@H](C)[N@H+](C)CC1CCCC1 86312566 572913203 /nfs/dbraw/zinc/91/32/03/572913203.db2.gz DGAUHPPPLWVQOE-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86312660 572913214 /nfs/dbraw/zinc/91/32/14/572913214.db2.gz SHLLYQFHLQTLCX-UWVGGRQHSA-N 2 0 186.343 2.090 10 0 AEAERP CCCC[N@H+](CC[C@H](C)C[NH3+])C1CC1 87999146 572913246 /nfs/dbraw/zinc/91/32/46/572913246.db2.gz OWRFCKUSQVAJGO-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@@H+](C1CCCC1)[C@H](C)[C@@H](C)C[NH3+] 86311703 572913262 /nfs/dbraw/zinc/91/32/62/572913262.db2.gz HXJGAPSQGFHNIA-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](C[NH3+])[C@@H](C)[N@H+](C)CC1CCCC1 86312565 572913319 /nfs/dbraw/zinc/91/33/19/572913319.db2.gz DGAUHPPPLWVQOE-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH2+]C[C@@H](C)[C@@H](C)[N@H+](C)C1CC1 86311476 572913493 /nfs/dbraw/zinc/91/34/93/572913493.db2.gz OPCYLOHLMQESCD-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86312086 572913459 /nfs/dbraw/zinc/91/34/59/572913459.db2.gz BUVIYSOIHMSUND-QWRGUYRKSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@H+](C)[C@H](C)[C@@H](C)C[NH2+]C1CC1 86311265 572913478 /nfs/dbraw/zinc/91/34/78/572913478.db2.gz JTNGUZQEQDSZEO-WDEREUQCSA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+]C[C@@H](C)[C@H](C)CCC[NH2+]C1CC1 86312805 572913583 /nfs/dbraw/zinc/91/35/83/572913583.db2.gz VCZWJZXVVXMROB-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[N@H+](CC1CC1)[C@H](C)[C@@H](C)C[NH3+] 86312077 572913694 /nfs/dbraw/zinc/91/36/94/572913694.db2.gz VOHFBCNTBBKSLE-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@H+](CC[C@H](C)C[NH3+])CC1CC1 87999274 572913703 /nfs/dbraw/zinc/91/37/03/572913703.db2.gz XHVBHPIYBSXAQY-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C)[C@H](C)C1 257629289 572913708 /nfs/dbraw/zinc/91/37/08/572913708.db2.gz HNCZTEVWRRCIMB-ZSBIGDGJSA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+]C[C@@H](C)[C@H](C)[N@@H+]1CCCC1(C)C 86312513 572913709 /nfs/dbraw/zinc/91/37/09/572913709.db2.gz JTJXSPALEGJXRC-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 86311454 572913793 /nfs/dbraw/zinc/91/37/93/572913793.db2.gz UPRLAIJBVDCLNK-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@H](C)[C@H](C)[N@@H+]1CCCC1(C)C 86312512 572913977 /nfs/dbraw/zinc/91/39/77/572913977.db2.gz JTJXSPALEGJXRC-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86312064 572913878 /nfs/dbraw/zinc/91/38/78/572913878.db2.gz RCONKTPTXHZMFI-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(C)(C)[N@H+](C)CC[C@@H](C)C[NH3+] 87999682 572914201 /nfs/dbraw/zinc/91/42/01/572914201.db2.gz FVSCQNBPVCOLJE-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)C1CCCC1 86311463 572914261 /nfs/dbraw/zinc/91/42/61/572914261.db2.gz ZCMVXFYHWXLYIA-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C[NH3+])CC[NH2+]C1(C)CCCC1 87999780 572914278 /nfs/dbraw/zinc/91/42/78/572914278.db2.gz UDERGHUGFKARMP-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)C1CC1 86311489 572914299 /nfs/dbraw/zinc/91/42/99/572914299.db2.gz BUXURYRMORSYBW-WDEREUQCSA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+]C[C@@H](C)[C@@H](C)CCC[NH2+]C1CC1 86312804 572914383 /nfs/dbraw/zinc/91/43/83/572914383.db2.gz VCZWJZXVVXMROB-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H](C)[C@@H](C)C[NH3+] 86311578 572914395 /nfs/dbraw/zinc/91/43/95/572914395.db2.gz ZPVRZINPUIPZND-QWRGUYRKSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311819 572914407 /nfs/dbraw/zinc/91/44/07/572914407.db2.gz IEROCJSZPLAHKD-DCAQKATOSA-N 2 0 186.343 2.090 10 0 AEAERP CCC[NH2+]C[C@H](C)[C@H](C)[N@H+](C)C1CC1 86311479 572915129 /nfs/dbraw/zinc/91/51/29/572915129.db2.gz OPCYLOHLMQESCD-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](C[NH3+])CC[NH2+]CC1(C)CCCC1 87999656 572914461 /nfs/dbraw/zinc/91/44/61/572914461.db2.gz XHEPRGJDDOBXHO-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP C[NH2+]C[C@H](C)[C@@H](C)CCC[NH2+]C1CC1 86312802 572914498 /nfs/dbraw/zinc/91/44/98/572914498.db2.gz VCZWJZXVVXMROB-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[N@@H+](C1CC1)[C@H](C)[C@@H](C)C[NH2+]C 86311551 572914512 /nfs/dbraw/zinc/91/45/12/572914512.db2.gz ZMUOGGVCSMSBGJ-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86312661 572914526 /nfs/dbraw/zinc/91/45/26/572914526.db2.gz SHLLYQFHLQTLCX-VHSXEESVSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)[C@H]1CCC[N@H+]1CC[C@@H](C)C[NH3+] 87999822 572914543 /nfs/dbraw/zinc/91/45/43/572914543.db2.gz JKVUNRCHEBZIIP-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@@H]1CCC[N@H+]1CC[C@@H](C)C[NH3+] 87999821 572914565 /nfs/dbraw/zinc/91/45/65/572914565.db2.gz JKVUNRCHEBZIIP-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[NH3+])[C@@H](C)[N@H+](C)C1CCCCC1 86311246 572914568 /nfs/dbraw/zinc/91/45/68/572914568.db2.gz WMSZVEGQNXZTJG-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([C@H](C)C[NH3+])[N@H+](C)CC1CCCC1 86312567 572914592 /nfs/dbraw/zinc/91/45/92/572914592.db2.gz DGAUHPPPLWVQOE-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)[N@H+](C)CC[C@H](C)C[NH3+] 87999683 572914613 /nfs/dbraw/zinc/91/46/13/572914613.db2.gz FVSCQNBPVCOLJE-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H](C[NH3+])CC[N@@H+]1CCC(C)(C)C1 87999883 572914659 /nfs/dbraw/zinc/91/46/59/572914659.db2.gz UCJGKSFRVNIEPO-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C[NH3+])CC[N@@H+]1CCCCC[C@H]1C 87999705 572914732 /nfs/dbraw/zinc/91/47/32/572914732.db2.gz PTPXZYUTUBQDCT-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCCCC[N@H+]1CC[C@@H](C)C[NH3+] 87999706 572914741 /nfs/dbraw/zinc/91/47/41/572914741.db2.gz PTPXZYUTUBQDCT-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]([C@H](C)C[NH3+])[N@H+](C)C1CCCCC1 86311249 572914755 /nfs/dbraw/zinc/91/47/55/572914755.db2.gz WMSZVEGQNXZTJG-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1CC[C@H](C)[N@H+](CC[C@@H](C)C[NH3+])C1 87999816 572914786 /nfs/dbraw/zinc/91/47/86/572914786.db2.gz NNAMNAFIFIBTJW-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[N@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311660 572914856 /nfs/dbraw/zinc/91/48/56/572914856.db2.gz WNYMWRIEUORFBE-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](C[NH3+])CC[NH2+]C1(C)CCCC1 87999779 572914869 /nfs/dbraw/zinc/91/48/69/572914869.db2.gz UDERGHUGFKARMP-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](C[NH3+])CC[N@H+](CC)CC1CC1 87999680 572914940 /nfs/dbraw/zinc/91/49/40/572914940.db2.gz YFAWMPOJOIHSJU-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)[C@@H](C)[N@H+](C)C1CC1 86311488 572914942 /nfs/dbraw/zinc/91/49/42/572914942.db2.gz BUXURYRMORSYBW-GHMZBOCLSA-N 2 0 198.354 2.103 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1[C@@H](C)[C@@H](C)C[NH3+] 86311530 572914964 /nfs/dbraw/zinc/91/49/64/572914964.db2.gz WNPQANGCYHLYON-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[N@@H+](C1CC1)[C@H](C)[C@@H](C)C[NH3+] 86312087 572914983 /nfs/dbraw/zinc/91/49/83/572914983.db2.gz BUVIYSOIHMSUND-WDEREUQCSA-N 2 0 198.354 2.090 10 0 AEAERP C[NH2+]C[C@H](C)[C@H](C)CCC[NH2+]C1CC1 86312803 572915054 /nfs/dbraw/zinc/91/50/54/572915054.db2.gz VCZWJZXVVXMROB-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CCCCC[N@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86311661 572915073 /nfs/dbraw/zinc/91/50/73/572915073.db2.gz WNYMWRIEUORFBE-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)[NH2+]C[C@H](C)[C@H](C)[N@H+](C)C1CC1 86311491 572915124 /nfs/dbraw/zinc/91/51/24/572915124.db2.gz BUXURYRMORSYBW-QWRGUYRKSA-N 2 0 198.354 2.103 10 0 AEAERP c1cc2c(c[nH+]1)CCc1c[nH+]ccc1N2 238038037 572916543 /nfs/dbraw/zinc/91/65/43/572916543.db2.gz QHGUCLQCBADCLI-UHFFFAOYSA-N 2 0 197.241 2.319 10 0 AEAERP CC(C)(C)CCC[NH2+][C@H]1CC[C@@H]([NH3+])C1 313270977 572918136 /nfs/dbraw/zinc/91/81/36/572918136.db2.gz OASLGFBAKVOOQA-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)[C@H](C)C[NH3+] 252604416 572920630 /nfs/dbraw/zinc/92/06/30/572920630.db2.gz OTWWPIVULPZRCR-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@@H]1CCC[N@@H+]1[C@H](C)[C@@H](C)C[NH3+] 252604413 572921626 /nfs/dbraw/zinc/92/16/26/572921626.db2.gz OTWWPIVULPZRCR-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@@H]1CCC[N@@H+]1[C@H](C)[C@H](C)C[NH3+] 252604414 572921983 /nfs/dbraw/zinc/92/19/83/572921983.db2.gz OTWWPIVULPZRCR-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@H]1CC[NH2+][C@@H]1C 252605911 572923619 /nfs/dbraw/zinc/92/36/19/572923619.db2.gz QAXUVEIFBMOYLT-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](C(C)C)[C@@H](C)CCCC[NH3+] 308193715 572924782 /nfs/dbraw/zinc/92/47/82/572924782.db2.gz LDVAOSDMJRYHNK-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CCC(C)(C)C[NH2+][C@H](C)CCC[NH3+] 308191242 572925860 /nfs/dbraw/zinc/92/58/60/572925860.db2.gz JSVVHJKAQUYFPS-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH2+]C(C)C 86386652 572926816 /nfs/dbraw/zinc/92/68/16/572926816.db2.gz HXVPNNYPDMEUHU-NWDGAFQWSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH2+]C(C)C 86386651 572927645 /nfs/dbraw/zinc/92/76/45/572927645.db2.gz HXVPNNYPDMEUHU-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+]C[C@H]1CCC[N@@H+]1[C@@H](C)CC 86386650 572927994 /nfs/dbraw/zinc/92/79/94/572927994.db2.gz FFYPHTDCHCLCAG-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@@H](C)[N@H+](C)[C@H](C)CC[NH3+] 308200876 572928101 /nfs/dbraw/zinc/92/81/01/572928101.db2.gz PSEPAFUZJMYDTJ-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H](C)[C@H]([NH3+])CC[NH+](CC)CC 86392837 572928252 /nfs/dbraw/zinc/92/82/52/572928252.db2.gz NARKTSLYDJZDGO-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]([NH3+])C1 223154932 572928347 /nfs/dbraw/zinc/92/83/47/572928347.db2.gz KBGPJUOGEHCMEJ-QJPTWQEYSA-N 2 0 198.354 2.233 10 0 AEAERP CCCC[C@@H](C)[N@H+](C)[C@@H](C)CC[NH3+] 308200880 572928385 /nfs/dbraw/zinc/92/83/85/572928385.db2.gz PSEPAFUZJMYDTJ-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CCCC[C@H](C)[N@H+](C)[C@H](C)CC[NH3+] 308200889 572928452 /nfs/dbraw/zinc/92/84/52/572928452.db2.gz PSEPAFUZJMYDTJ-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[NH2+]C[C@@H](C)[NH2+]C[C@H](C)C1CC1 162293253 572928673 /nfs/dbraw/zinc/92/86/73/572928673.db2.gz QJXDOPXFZXXPIG-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)[C@H]([NH3+])CC[NH+](CC)CC 86392839 572928839 /nfs/dbraw/zinc/92/88/39/572928839.db2.gz NARKTSLYDJZDGO-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](C)[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 86392602 572928919 /nfs/dbraw/zinc/92/89/19/572928919.db2.gz IKSSEWAIUQXNPB-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 86392599 572929100 /nfs/dbraw/zinc/92/91/00/572929100.db2.gz IKSSEWAIUQXNPB-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 86392601 572929298 /nfs/dbraw/zinc/92/92/98/572929298.db2.gz IKSSEWAIUQXNPB-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 86392597 572929376 /nfs/dbraw/zinc/92/93/76/572929376.db2.gz IKSSEWAIUQXNPB-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](CC1CC1)[NH2+][C@H]1CC[C@H]([NH3+])C1 86400749 572930518 /nfs/dbraw/zinc/93/05/18/572930518.db2.gz OXOQHOWRUDFYJJ-TUAOUCFPSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@H]([NH3+])C1 86397705 572930634 /nfs/dbraw/zinc/93/06/34/572930634.db2.gz AWHKMWHSJOYSIY-SRVKXCTJSA-N 2 0 198.354 2.281 10 0 AEAERP CC(C)(CCC[NH3+])CCCCC[NH3+] 238098502 572930693 /nfs/dbraw/zinc/93/06/93/572930693.db2.gz UKDUWFLSFMKNAA-UHFFFAOYSA-N 2 0 186.343 2.271 10 0 AEAERP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 86397703 572930880 /nfs/dbraw/zinc/93/08/80/572930880.db2.gz AWHKMWHSJOYSIY-SDDRHHMPSA-N 2 0 198.354 2.281 10 0 AEAERP CCC(CC)[C@H](C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 86400687 572930885 /nfs/dbraw/zinc/93/08/85/572930885.db2.gz QNIOSELJUCDOON-ZMLRMANQSA-N 2 0 198.354 2.281 10 0 AEAERP CCCC[C@H](C)[NH2+][C@H]1CC[C@H]([NH3+])C1 86400226 572931113 /nfs/dbraw/zinc/93/11/13/572931113.db2.gz CKSMVYZHPVPEQE-DCAQKATOSA-N 2 0 184.327 2.035 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@H]1CC[C@H]([NH3+])C1 86398538 572931268 /nfs/dbraw/zinc/93/12/68/572931268.db2.gz GEWNJXPRJZRJHB-SRVKXCTJSA-N 2 0 198.354 2.425 10 0 AEAERP CC[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H]([NH3+])C1 86400745 572931338 /nfs/dbraw/zinc/93/13/38/572931338.db2.gz OXOQHOWRUDFYJJ-QJPTWQEYSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]([NH3+])C1 86400208 572931392 /nfs/dbraw/zinc/93/13/92/572931392.db2.gz GDRCJLPXSSAOSA-GARJFASQSA-N 2 0 184.327 2.035 10 0 AEAERP CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 86400223 572931408 /nfs/dbraw/zinc/93/14/08/572931408.db2.gz CKSMVYZHPVPEQE-GARJFASQSA-N 2 0 184.327 2.035 10 0 AEAERP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 86401170 572931482 /nfs/dbraw/zinc/93/14/82/572931482.db2.gz LONPJZGUPKTVOR-FIQHERPVSA-N 2 0 198.354 2.281 10 0 AEAERP [NH3+][C@H]1CC[C@H]([NH2+]CCC2CCCC2)C1 86399258 572931649 /nfs/dbraw/zinc/93/16/49/572931649.db2.gz XTNHHHAICNLITF-RYUDHWBXSA-N 2 0 196.338 2.036 10 0 AEAERP CCC(CC)[C@H](C)[NH2+][C@H]1CC[C@H]([NH3+])C1 86400691 572931708 /nfs/dbraw/zinc/93/17/08/572931708.db2.gz QNIOSELJUCDOON-DLOVCJGASA-N 2 0 198.354 2.281 10 0 AEAERP CCCCCC[NH2+][C@@H]1CC[C@H]([NH3+])C1 86397912 572931907 /nfs/dbraw/zinc/93/19/07/572931907.db2.gz WANQVOWPCQITOD-WDEREUQCSA-N 2 0 184.327 2.036 10 0 AEAERP CCCCCC[NH2+][C@H]1CC[C@H]([NH3+])C1 86397914 572931915 /nfs/dbraw/zinc/93/19/15/572931915.db2.gz WANQVOWPCQITOD-QWRGUYRKSA-N 2 0 184.327 2.036 10 0 AEAERP [NH3+][C@@H]1CC[C@H]([NH2+]CCC2CCCC2)C1 86399263 572932067 /nfs/dbraw/zinc/93/20/67/572932067.db2.gz XTNHHHAICNLITF-NEPJUHHUSA-N 2 0 196.338 2.036 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 86398535 572932172 /nfs/dbraw/zinc/93/21/72/572932172.db2.gz GEWNJXPRJZRJHB-SDDRHHMPSA-N 2 0 198.354 2.425 10 0 AEAERP CC(C)(C)[NH2+]C/C=C/C[NH2+]C(C)(C)C 238102654 572932233 /nfs/dbraw/zinc/93/22/33/572932233.db2.gz GEVIWELXLBIJGY-BQYQJAHWSA-N 2 0 198.354 2.319 10 0 AEAERP CC[C@@H](C)[C@@H]([NH3+])CC[NH+](CC)CC 86392840 572932249 /nfs/dbraw/zinc/93/22/49/572932249.db2.gz NARKTSLYDJZDGO-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP CCCCCC[NH2+][C@@H]1CC[C@@H]([NH3+])C1 86397916 572932429 /nfs/dbraw/zinc/93/24/29/572932429.db2.gz WANQVOWPCQITOD-GHMZBOCLSA-N 2 0 184.327 2.036 10 0 AEAERP CCC[C@H](CC)[NH2+][C@H]1CC[C@H]([NH3+])C1 86400211 572932514 /nfs/dbraw/zinc/93/25/14/572932514.db2.gz GDRCJLPXSSAOSA-DCAQKATOSA-N 2 0 184.327 2.035 10 0 AEAERP [NH3+][C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 86399257 572932621 /nfs/dbraw/zinc/93/26/21/572932621.db2.gz XTNHHHAICNLITF-NWDGAFQWSA-N 2 0 196.338 2.036 10 0 AEAERP CCCCCC[NH2+][C@H]1CC[C@@H]([NH3+])C1 86397918 572932944 /nfs/dbraw/zinc/93/29/44/572932944.db2.gz WANQVOWPCQITOD-MNOVXSKESA-N 2 0 184.327 2.036 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CCC[C@@H]([NH3+])C1 86409697 572933437 /nfs/dbraw/zinc/93/34/37/572933437.db2.gz BXHGPACTQAEQHQ-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CCC[C@H]([NH3+])C1 86409693 572933532 /nfs/dbraw/zinc/93/35/32/572933532.db2.gz BXHGPACTQAEQHQ-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[NH+](CCC)[C@H]1CCC[C@@H]([NH3+])C1 86409701 572934685 /nfs/dbraw/zinc/93/46/85/572934685.db2.gz BXHGPACTQAEQHQ-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H](CC)[NH2+]CC(C)(C)[NH2+]C 308205337 572934112 /nfs/dbraw/zinc/93/41/12/572934112.db2.gz SIRNUVNSCUBTRY-JTQLQIEISA-N 2 0 186.343 2.153 10 0 AEAERP CCCC[N@H+](CC)[C@H]1CCC[C@H]([NH3+])C1 86409889 572934236 /nfs/dbraw/zinc/93/42/36/572934236.db2.gz YANLVDRSDZALFS-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[NH+](CCC)[C@H]1CCC[C@H]([NH3+])C1 86409695 572934672 /nfs/dbraw/zinc/93/46/72/572934672.db2.gz BXHGPACTQAEQHQ-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[N@H+](CC)[C@@H]1CCC[C@H]([NH3+])C1 86409888 572935299 /nfs/dbraw/zinc/93/52/99/572935299.db2.gz YANLVDRSDZALFS-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@@H]1CC[C@H]([NH3+])C1 86432452 572935908 /nfs/dbraw/zinc/93/59/08/572935908.db2.gz YXBFYAUZMAFYDW-NWDGAFQWSA-N 2 0 198.354 2.233 10 0 AEAERP CCCC[N@H+](C1CC1)[C@H]1CC[C@H]([NH3+])C1 86431962 572936354 /nfs/dbraw/zinc/93/63/54/572936354.db2.gz TZBUXJTUNWQECQ-JQWIXIFHSA-N 2 0 196.338 2.131 10 0 AEAERP CC[C@@H](C)C[N@H+](CC)[C@@H](C)CC[NH3+] 86437064 572936679 /nfs/dbraw/zinc/93/66/79/572936679.db2.gz RFUVLZWXSORTRM-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])C1 86432455 572936731 /nfs/dbraw/zinc/93/67/31/572936731.db2.gz YXBFYAUZMAFYDW-RYUDHWBXSA-N 2 0 198.354 2.233 10 0 AEAERP CC[C@H](C)C[N@H+](CC)CCCC[NH3+] 86437049 572937007 /nfs/dbraw/zinc/93/70/07/572937007.db2.gz QUPPIRADJNNDLC-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@H](C)C[N@H+](CC)[C@@H](C)CC[NH3+] 86437066 572937236 /nfs/dbraw/zinc/93/72/36/572937236.db2.gz RFUVLZWXSORTRM-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[N@H+](C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86431960 572937541 /nfs/dbraw/zinc/93/75/41/572937541.db2.gz TZBUXJTUNWQECQ-CMPLNLGQSA-N 2 0 196.338 2.131 10 0 AEAERP CC(C)CC[N@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86431841 572938202 /nfs/dbraw/zinc/93/82/02/572938202.db2.gz PKTCNAVFXIFKBN-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)C[N@H+](CC)CCCC[NH3+] 86437047 572938313 /nfs/dbraw/zinc/93/83/13/572938313.db2.gz QUPPIRADJNNDLC-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@H](C)C[N@H+](CC)[C@@H](C)CC(N)=[NH2+] 86437802 572939000 /nfs/dbraw/zinc/93/90/00/572939000.db2.gz SIPPWLCGUDORFN-UWVGGRQHSA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H](C)C[N@H+](CC)[C@@H]1CC[C@H]([NH3+])C1 86439674 572939325 /nfs/dbraw/zinc/93/93/25/572939325.db2.gz UZWGTYVEZPEHEA-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[N@H+](CC)CC[C@@H](C)[NH3+] 86437522 572939339 /nfs/dbraw/zinc/93/93/39/572939339.db2.gz OPZXQPBYEVLLSG-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H](C)C[N@H+](CC)[C@@H](C)CC(N)=[NH2+] 86437800 572939435 /nfs/dbraw/zinc/93/94/35/572939435.db2.gz SIPPWLCGUDORFN-ZJUUUORDSA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H](C)C[N@H+](CC)CCCC(N)=[NH2+] 86437813 572939718 /nfs/dbraw/zinc/93/97/18/572939718.db2.gz XBNWPMWLNCSRIS-JTQLQIEISA-N 2 0 199.342 2.071 10 0 AEAERP CC[C@@H](C)C[N@H+](CC)CC[C@@H](C)[NH3+] 86437520 572939943 /nfs/dbraw/zinc/93/99/43/572939943.db2.gz OPZXQPBYEVLLSG-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 308196667 572940583 /nfs/dbraw/zinc/94/05/83/572940583.db2.gz NAWLYDSJQJTFMQ-AXFHLTTASA-N 2 0 186.343 2.281 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] 308196672 572940625 /nfs/dbraw/zinc/94/06/25/572940625.db2.gz NAWLYDSJQJTFMQ-DCAQKATOSA-N 2 0 186.343 2.281 10 0 AEAERP CCC(CC)[N@@H+](CC(N)=[NH2+])CC(C)C 86453498 572941224 /nfs/dbraw/zinc/94/12/24/572941224.db2.gz ULRVORZQPVLSFR-UHFFFAOYSA-N 2 0 199.342 2.069 10 0 AEAERP CCCC[NH2+]CC1CCC(C[NH3+])CC1 86478791 572943211 /nfs/dbraw/zinc/94/32/11/572943211.db2.gz ZGBOGSWAEQOZFV-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CCCC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 308210239 572942401 /nfs/dbraw/zinc/94/24/01/572942401.db2.gz WAFQVSHNICKZMR-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 308210238 572942448 /nfs/dbraw/zinc/94/24/48/572942448.db2.gz WAFQVSHNICKZMR-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CC[NH+](CC)CC1CCC(C[NH3+])CC1 86478672 572942933 /nfs/dbraw/zinc/94/29/33/572942933.db2.gz YOLIRWFMIWMZTE-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)CCCC[NH2+][C@@H](C)[C@@H](C)[NH3+] 308207628 572943647 /nfs/dbraw/zinc/94/36/47/572943647.db2.gz UNYMHEWACCOLNR-MNOVXSKESA-N 2 0 186.343 2.138 10 0 AEAERP CC[C@H](C)[NH2+]CC1CCC(C[NH3+])CC1 86478779 572944591 /nfs/dbraw/zinc/94/45/91/572944591.db2.gz YAZSLDYWQLXDNZ-UNXYVOJBSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H](C)[NH2+]CC1CCC(C[NH3+])CC1 86478776 572944616 /nfs/dbraw/zinc/94/46/16/572944616.db2.gz YAZSLDYWQLXDNZ-VOMCLLRMSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[N@H+](C)CC1CCC(C[NH3+])CC1 86478694 572944751 /nfs/dbraw/zinc/94/47/51/572944751.db2.gz AQSZGKFLMKMJJM-UHFFFAOYSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC)[C@H](C)CCCC[NH3+] 308212313 572945249 /nfs/dbraw/zinc/94/52/49/572945249.db2.gz XDTJGGZKEQYROI-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@H](C)[N@H+](C)CCC1(C[NH3+])CCC1 88051727 572945675 /nfs/dbraw/zinc/94/56/75/572945675.db2.gz SCXWXFOKSQODSH-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](C)CCC1(C[NH3+])CCC1 88051654 572945354 /nfs/dbraw/zinc/94/53/54/572945354.db2.gz YGKSVYMOLNRFHS-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC1(C[NH3+])CCC1 88051726 572945788 /nfs/dbraw/zinc/94/57/88/572945788.db2.gz SCXWXFOKSQODSH-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[N@H+](C)CCC1(C[NH3+])CCC1 88051723 572946141 /nfs/dbraw/zinc/94/61/41/572946141.db2.gz XIJWLFDSFPWRAU-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[NH+](CC)CC[C@H]1CCC[C@H]1[NH2+]C 86530869 572949916 /nfs/dbraw/zinc/94/99/16/572949916.db2.gz RQFRIUTVACFIHB-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@H+](C)CC[C@@H]1CCC[C@@H]1[NH3+] 86531385 572949757 /nfs/dbraw/zinc/94/97/57/572949757.db2.gz ITMJCFINVWUPRH-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@H]1CC[N@H+](C)CC 86531184 572950009 /nfs/dbraw/zinc/95/00/09/572950009.db2.gz XSPJLTNAGBOLLN-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](C)CC[C@@H]1CCC[C@@H]1[NH2+]C 86531350 572950102 /nfs/dbraw/zinc/95/01/02/572950102.db2.gz ZSOXLFPKEIQNGG-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[N@H+](C)CC[C@H]1CCC[C@@H]1[NH3+] 86531368 572950187 /nfs/dbraw/zinc/95/01/87/572950187.db2.gz XELRQRPQDDHOSJ-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[N@H+](C)CC[C@@H]1CCC[C@@H]1[NH3+] 86531365 572950204 /nfs/dbraw/zinc/95/02/04/572950204.db2.gz XELRQRPQDDHOSJ-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@H]1CCC[C@@H]1CC[N@H+](C)C(C)C 86530968 572950267 /nfs/dbraw/zinc/95/02/67/572950267.db2.gz CVIIIYAYJZTHPU-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+][C@@H]1CCC[C@H]1CC[NH+](C)C 86531091 572950553 /nfs/dbraw/zinc/95/05/53/572950553.db2.gz JOCTXQHXHKXCOG-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CC[C@H]1CCC[C@@H]1[NH3+])C(C)C 86531266 572950539 /nfs/dbraw/zinc/95/05/39/572950539.db2.gz HNJHPIZWHNEDBX-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+](CC)CC[C@@H]1CCC[C@H]1[NH2+]C 86530867 572950596 /nfs/dbraw/zinc/95/05/96/572950596.db2.gz RQFRIUTVACFIHB-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](C)CC[C@@H]1CCC[C@@H]1[NH3+] 86531104 572950623 /nfs/dbraw/zinc/95/06/23/572950623.db2.gz YHJSQQPOASGVFX-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH2+][C@H]1CCC[C@@H]1CC[NH+](C)C 86531088 572950767 /nfs/dbraw/zinc/95/07/67/572950767.db2.gz JOCTXQHXHKXCOG-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@H]1CCC[C@H]1CC[NH+](C)C 86531092 572950781 /nfs/dbraw/zinc/95/07/81/572950781.db2.gz JOCTXQHXHKXCOG-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H]1CCC[C@H]1CC[N@H+](C)CC 86531186 572950791 /nfs/dbraw/zinc/95/07/91/572950791.db2.gz XSPJLTNAGBOLLN-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H]1CCC[C@@H]1CC[N@H+](C)CC 86531181 572950977 /nfs/dbraw/zinc/95/09/77/572950977.db2.gz XSPJLTNAGBOLLN-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H]1CCC[C@H]1CC[N@H+](C)C(C)C 86530966 572951001 /nfs/dbraw/zinc/95/10/01/572951001.db2.gz CVIIIYAYJZTHPU-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+][C@@H]1CCC[C@@H]1CC[NH+](C)C 86531086 572951026 /nfs/dbraw/zinc/95/10/26/572951026.db2.gz JOCTXQHXHKXCOG-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CC[C@@H]1CCC[C@@H]1[NH3+])C(C)C 86531264 572951081 /nfs/dbraw/zinc/95/10/81/572951081.db2.gz HNJHPIZWHNEDBX-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+](CC)CC[C@@H]1CCC[C@@H]1[NH2+]C 86530862 572951135 /nfs/dbraw/zinc/95/11/35/572951135.db2.gz RQFRIUTVACFIHB-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1C[C@H](C)[N@H+](C[C@H](C)CCC[NH3+])C1 222614396 572954235 /nfs/dbraw/zinc/95/42/35/572954235.db2.gz WBRFWKUTQLCHFN-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CCC[N@H+](CC(C)(C)C[NH3+])[C@@H]1C 51249241 572955685 /nfs/dbraw/zinc/95/56/85/572955685.db2.gz WJRUDYYIASGJOW-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CCC[N@H+](CC(C)(C)C[NH3+])[C@@H]1C 51249242 572955726 /nfs/dbraw/zinc/95/57/26/572955726.db2.gz WJRUDYYIASGJOW-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](C)[C@@H]1CCC[C@H]([NH2+]C)C1 86599095 572963533 /nfs/dbraw/zinc/96/35/33/572963533.db2.gz WQLNHUGYDMTOPS-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]([NH2+]C)C1 86599334 572963538 /nfs/dbraw/zinc/96/35/38/572963538.db2.gz BTUYOAPQFYKGQJ-SDDRHHMPSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[NH2+]CC(C)(C)C[NH2+]C(C)C 238164343 572959826 /nfs/dbraw/zinc/95/98/26/572959826.db2.gz AJTSZGQKWXIHKS-UHFFFAOYSA-N 2 0 186.343 2.009 10 0 AEAERP CC[NH2+][C@H]1CCC[C@@H]([N@H+](C)C(C)C)C1 86599017 572963544 /nfs/dbraw/zinc/96/35/44/572963544.db2.gz VNZQDSCAGFQHMA-NWDGAFQWSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@H]1CCC[C@@H]([N@H+](C)CC(C)C)C1 86599310 572963553 /nfs/dbraw/zinc/96/35/53/572963553.db2.gz HNFKFWVMDGWAHQ-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CC(C)(C)CCCC[NH2+]C1CC1 86595774 572960876 /nfs/dbraw/zinc/96/08/76/572960876.db2.gz XIYGRYMMRZOIGZ-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CC[N@H+](C1CC1)[C@H]1CCC[C@H]([NH2+]C)C1 86599164 572961800 /nfs/dbraw/zinc/96/18/00/572961800.db2.gz ZNNGSOSVXGGJRO-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CC[N@H+](C(C)C)[C@@H]1CCC[C@H]([NH2+]C)C1 86599211 572962026 /nfs/dbraw/zinc/96/20/26/572962026.db2.gz IYTFTLVENFYJKY-NWDGAFQWSA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@H+](C(C)C)[C@H]1CCC[C@H]([NH2+]C)C1 86599213 572962056 /nfs/dbraw/zinc/96/20/56/572962056.db2.gz IYTFTLVENFYJKY-RYUDHWBXSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@@H]([N@H+](C)C2CC2)C1 86599197 572962086 /nfs/dbraw/zinc/96/20/86/572962086.db2.gz XJEDSWLXUYKTLC-ZYHUDNBSSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[N@H+](C)[C@H]1CCC[C@H]([NH2+]CC)C1 86599298 572962102 /nfs/dbraw/zinc/96/21/02/572962102.db2.gz HQTMJSRBJBEYHB-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[N@H+](C)[C@H]1CCC[C@H]([NH2+]C)C1 86599098 572962500 /nfs/dbraw/zinc/96/25/00/572962500.db2.gz WQLNHUGYDMTOPS-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H]1CCC[C@H]([NH+](CC)CC)C1 86598896 572962614 /nfs/dbraw/zinc/96/26/14/572962614.db2.gz RSIKJDZXJINDNM-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H]1CCC[C@@H]([NH+](CC)CC)C1 86598900 572962646 /nfs/dbraw/zinc/96/26/46/572962646.db2.gz RSIKJDZXJINDNM-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](C)[C@@H]1CCC[C@H]([NH2+]CC)C1 86599297 572962652 /nfs/dbraw/zinc/96/26/52/572962652.db2.gz HQTMJSRBJBEYHB-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CCC[C@H]([N@H+](C)CC)C1 86599134 572962801 /nfs/dbraw/zinc/96/28/01/572962801.db2.gz RIDCULNURNPUSM-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CCC[C@@H]([N@H+](C)CC)C1 86599138 572962849 /nfs/dbraw/zinc/96/28/49/572962849.db2.gz RIDCULNURNPUSM-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H]1CCC[C@H]([N@H+](C)CC(C)C)C1 86599311 572962919 /nfs/dbraw/zinc/96/29/19/572962919.db2.gz HNFKFWVMDGWAHQ-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+][C@@H]1CCC[C@@H]([N@H+](C)CC)C1 86599136 572963045 /nfs/dbraw/zinc/96/30/45/572963045.db2.gz RIDCULNURNPUSM-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H]1CCC[C@H]([N@H+](C)C(C)C)C1 86599012 572963059 /nfs/dbraw/zinc/96/30/59/572963059.db2.gz VNZQDSCAGFQHMA-RYUDHWBXSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H]1CCC[C@H]([N@H+](C)C2CC2)C1 86599196 572963082 /nfs/dbraw/zinc/96/30/82/572963082.db2.gz XJEDSWLXUYKTLC-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@H]([N@H+](C)C2CC2)C1 86599194 572963169 /nfs/dbraw/zinc/96/31/69/572963169.db2.gz XJEDSWLXUYKTLC-PWSUYJOCSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@H]1CCC[C@@H]([N@H+](C)C2CC2)C1 86599199 572963176 /nfs/dbraw/zinc/96/31/76/572963176.db2.gz XJEDSWLXUYKTLC-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[NH+](CCC)[C@H]1CC[C@H]([NH2+]C)C1 86618463 572965651 /nfs/dbraw/zinc/96/56/51/572965651.db2.gz BZOBAQUPOOTSOA-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@@H]([N@H+](C)C(C)C)C1 86599015 572963293 /nfs/dbraw/zinc/96/32/93/572963293.db2.gz VNZQDSCAGFQHMA-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[N@H+](CC)[C@H]1CCC[C@H]([NH2+]C)C1 86599259 572963380 /nfs/dbraw/zinc/96/33/80/572963380.db2.gz SQCPPGGZUUOOKF-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@@H]([NH+](CC)CC)C1 86598898 572963428 /nfs/dbraw/zinc/96/34/28/572963428.db2.gz RSIKJDZXJINDNM-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](C1CC1)[C@@H]1CCC[C@H]([NH2+]C)C1 86599163 572963443 /nfs/dbraw/zinc/96/34/43/572963443.db2.gz ZNNGSOSVXGGJRO-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@H]([N@H+](C)C(C)C)C1 86599009 572963457 /nfs/dbraw/zinc/96/34/57/572963457.db2.gz VNZQDSCAGFQHMA-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)C[C@]1(C[NH3+])CCC[N@H+](C)CC1 107141872 572964787 /nfs/dbraw/zinc/96/47/87/572964787.db2.gz QGEUKKSBUSYVHX-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[NH2+]CCCCC[NH2+]CC 199779304 572964972 /nfs/dbraw/zinc/96/49/72/572964972.db2.gz KZLMEOKJRDYZEO-UHFFFAOYSA-N 2 0 186.343 2.156 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@@H]([N@H+](C)CCC)C1 86618761 572965565 /nfs/dbraw/zinc/96/55/65/572965565.db2.gz IQLRXXRRWNRWEU-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CC[C@H]([NH+]2CCCC2)C1 86618298 572965619 /nfs/dbraw/zinc/96/56/19/572965619.db2.gz HXSRRETYUKPOEL-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@H]([N@H+](C)C2CC2)C1 86618697 572965639 /nfs/dbraw/zinc/96/56/39/572965639.db2.gz RAKXDTCYPDQYTF-PWSUYJOCSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CC[C@H]([NH2+]C)C1 86618462 572965854 /nfs/dbraw/zinc/96/58/54/572965854.db2.gz BZOBAQUPOOTSOA-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H]1CC[C@H]([N@H+](CC)C2CC2)C1 86618686 572966213 /nfs/dbraw/zinc/96/62/13/572966213.db2.gz KKRJSCBGWZCUBL-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[NH2+][C@H]1CC[C@H]([N@H+](C)C(C)C)C1 86618435 572966245 /nfs/dbraw/zinc/96/62/45/572966245.db2.gz KFBIYEHXRYAMPU-RYUDHWBXSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@H]([N@H+](C)CCC)C1 86618759 572966343 /nfs/dbraw/zinc/96/63/43/572966343.db2.gz IQLRXXRRWNRWEU-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CC[C@@H]([NH+]2CCCC2)C1 86618300 572966483 /nfs/dbraw/zinc/96/64/83/572966483.db2.gz HXSRRETYUKPOEL-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@@H]([N@H+](C)C(C)C)C1 86618436 572966604 /nfs/dbraw/zinc/96/66/04/572966604.db2.gz KFBIYEHXRYAMPU-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)C1 86618334 572966935 /nfs/dbraw/zinc/96/69/35/572966935.db2.gz DGKRTAMXSWYQGK-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH+](CCC)[C@H]1CC[C@@H]([NH2+]C)C1 86618465 572966986 /nfs/dbraw/zinc/96/69/86/572966986.db2.gz BZOBAQUPOOTSOA-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@H]([N@H+](C)C(C)C)C1 86618434 572967022 /nfs/dbraw/zinc/96/70/22/572967022.db2.gz KFBIYEHXRYAMPU-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@H]1CC[C@H]([N@H+](C)C2CC2)C1 86618698 572967258 /nfs/dbraw/zinc/96/72/58/572967258.db2.gz RAKXDTCYPDQYTF-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@@H]([NH+]2CCCC2)C1 86618299 572967263 /nfs/dbraw/zinc/96/72/63/572967263.db2.gz HXSRRETYUKPOEL-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@@H]1CC[C@@H]([N@H+](CC)C2CC2)C1 86618687 572967330 /nfs/dbraw/zinc/96/73/30/572967330.db2.gz KKRJSCBGWZCUBL-ZYHUDNBSSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[NH2+][C@H]1CC[C@H]([NH+](CC)CC)C1 86618332 572967349 /nfs/dbraw/zinc/96/73/49/572967349.db2.gz DGKRTAMXSWYQGK-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CC[C@@H]([N@H+](C)C2CC2)C1 86618700 572967383 /nfs/dbraw/zinc/96/73/83/572967383.db2.gz RAKXDTCYPDQYTF-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@H]([NH+]2CCCC2)C1 86618297 572967429 /nfs/dbraw/zinc/96/74/29/572967429.db2.gz HXSRRETYUKPOEL-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[NH2+][C@@H]1CC[C@@H]([NH+](CC)CC)C1 86618333 572967394 /nfs/dbraw/zinc/96/73/94/572967394.db2.gz DGKRTAMXSWYQGK-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CC[C@@H]([N@H+](C)CCC)C1 86618762 572967597 /nfs/dbraw/zinc/96/75/97/572967597.db2.gz IQLRXXRRWNRWEU-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CC[C@H]([N@H+](C)CCC)C1 86618760 572967619 /nfs/dbraw/zinc/96/76/19/572967619.db2.gz IQLRXXRRWNRWEU-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H]1CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1 86637209 572968609 /nfs/dbraw/zinc/96/86/09/572968609.db2.gz XJYNMEZPFMKRKN-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1 86637212 572968624 /nfs/dbraw/zinc/96/86/24/572968624.db2.gz XJYNMEZPFMKRKN-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C1CC1)[N@H+](C)CC(C)(C)C[NH3+] 86637568 572968810 /nfs/dbraw/zinc/96/88/10/572968810.db2.gz PXIVPNIUXHTLAW-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CCC[C@H]1[N@H+](C)CC(C)(C)C[NH3+] 86637594 572968840 /nfs/dbraw/zinc/96/88/40/572968840.db2.gz VPDIIIFSIVRMDC-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1 86637206 572968933 /nfs/dbraw/zinc/96/89/33/572968933.db2.gz XJYNMEZPFMKRKN-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CCC[C@@H]1[N@H+](C)CC(C)(C)C[NH3+] 86637590 572969062 /nfs/dbraw/zinc/96/90/62/572969062.db2.gz VPDIIIFSIVRMDC-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1 86637201 572969099 /nfs/dbraw/zinc/96/90/99/572969099.db2.gz XJYNMEZPFMKRKN-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CCC[C@@H]1[N@H+](C)CC(C)(C)C[NH3+] 86637587 572969112 /nfs/dbraw/zinc/96/91/12/572969112.db2.gz VPDIIIFSIVRMDC-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CCC[C@H]1[N@H+](C)CC(C)(C)C[NH3+] 86637597 572969206 /nfs/dbraw/zinc/96/92/06/572969206.db2.gz VPDIIIFSIVRMDC-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C1CC1)[N@H+](C)CC(C)(C)C[NH3+] 86637571 572969221 /nfs/dbraw/zinc/96/92/21/572969221.db2.gz PXIVPNIUXHTLAW-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC1CC[NH+](CC[C@H](C)CC[NH3+])CC1 238182552 572970167 /nfs/dbraw/zinc/97/01/67/572970167.db2.gz DRULXXVVSUJJMN-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C)[NH2+]Cc1ccccc1C[NH3+] 86678039 572971623 /nfs/dbraw/zinc/97/16/23/572971623.db2.gz MIMHMIDINWZTFB-JTQLQIEISA-N 2 0 192.306 2.033 10 0 AEAERP CC[C@@H](C)[NH2+]Cc1ccccc1C[NH3+] 86678038 572970963 /nfs/dbraw/zinc/97/09/63/572970963.db2.gz MIMHMIDINWZTFB-SNVBAGLBSA-N 2 0 192.306 2.033 10 0 AEAERP CCCC1CN([C@H](C[NH3+])CC(C)C)C1 86679070 572971273 /nfs/dbraw/zinc/97/12/73/572971273.db2.gz JLGDMXNCROJFFY-LBPRGKRZSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC1CN([C@@H](C[NH3+])CC(C)C)C1 86679072 572971538 /nfs/dbraw/zinc/97/15/38/572971538.db2.gz JLGDMXNCROJFFY-GFCCVEGCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CCC[NH2+]CC1CC[NH2+]CC1 86700788 572971985 /nfs/dbraw/zinc/97/19/85/572971985.db2.gz LMGJWGRQOKRISW-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CCCCCC[NH2+]CC1CC[NH2+]CC1 86700319 572972042 /nfs/dbraw/zinc/97/20/42/572972042.db2.gz HIQCUJFFYMGNSA-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP CC[C@H](C)[NH2+]Cc1cccc(C[NH3+])c1 86681809 572972310 /nfs/dbraw/zinc/97/23/10/572972310.db2.gz UDDORBBRSTYJID-JTQLQIEISA-N 2 0 192.306 2.033 10 0 AEAERP CCC[NH2+]C1CCC([NH2+]C(C)C)CC1 86681054 572972332 /nfs/dbraw/zinc/97/23/32/572972332.db2.gz QHNSSQQDLSTBNE-UHFFFAOYSA-N 2 0 198.354 2.295 10 0 AEAERP CC[C@H](CC[NH3+])[NH+]1CC(CC)(CC)C1 86682199 572972398 /nfs/dbraw/zinc/97/23/98/572972398.db2.gz XPGPZCYOUBHOFL-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+]C1CCC([NH2+][C@@H](C)CC)CC1 86681003 572972439 /nfs/dbraw/zinc/97/24/39/572972439.db2.gz JJPVWSWPBNUBKQ-UNXYVOJBSA-N 2 0 198.354 2.295 10 0 AEAERP CC[C@@H](CC[NH3+])[NH+]1CC(CC)(CC)C1 86682198 572972511 /nfs/dbraw/zinc/97/25/11/572972511.db2.gz XPGPZCYOUBHOFL-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH2+][C@@H](C)c1ccc(C[NH3+])cc1 86681882 572972801 /nfs/dbraw/zinc/97/28/01/572972801.db2.gz LMILCWTWTJRXJJ-JTQLQIEISA-N 2 0 192.306 2.204 10 0 AEAERP CC(C)(C)C1C[NH+](CCCCC[NH3+])C1 86682356 572972914 /nfs/dbraw/zinc/97/29/14/572972914.db2.gz PLZPHFPLCGCMKE-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CCC1(CC)C[NH+](CCCCC[NH3+])C1 86682326 572973443 /nfs/dbraw/zinc/97/34/43/572973443.db2.gz YOCDYGIBLGXDOZ-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CC[C@@H](C)[NH2+]Cc1cccc(C[NH3+])c1 86681807 572973447 /nfs/dbraw/zinc/97/34/47/572973447.db2.gz UDDORBBRSTYJID-SNVBAGLBSA-N 2 0 192.306 2.033 10 0 AEAERP CC[NH2+]C1CCC([NH+](CC)CC)CC1 86681013 572973483 /nfs/dbraw/zinc/97/34/83/572973483.db2.gz YTBUBPBFTHWLSB-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](CC[NH3+])[NH+]1CC(C(C)(C)C)C1 86682275 572973710 /nfs/dbraw/zinc/97/37/10/572973710.db2.gz JQALMQFSWULOTP-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH2+]C1CCC([NH2+][C@H](C)CC)CC1 86681001 572973809 /nfs/dbraw/zinc/97/38/09/572973809.db2.gz JJPVWSWPBNUBKQ-VOMCLLRMSA-N 2 0 198.354 2.295 10 0 AEAERP CC[C@@H](CC[NH3+])[NH+]1CC(C(C)(C)C)C1 86682272 572973874 /nfs/dbraw/zinc/97/38/74/572973874.db2.gz JQALMQFSWULOTP-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)(C)CC(C)(C)[NH2+][C@@H]1CC[NH2+]C1 86727478 572974165 /nfs/dbraw/zinc/97/41/65/572974165.db2.gz SCLXBKNYJCTMFJ-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)(C)CC(C)(C)[NH2+][C@H]1CC[NH2+]C1 86727481 572974599 /nfs/dbraw/zinc/97/45/99/572974599.db2.gz SCLXBKNYJCTMFJ-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H]([NH3+])/C=C/[C@H]([NH3+])CC(C)C 238193676 572978532 /nfs/dbraw/zinc/97/85/32/572978532.db2.gz VFJAEXJWQDHRKK-MTJJXUSZSA-N 2 0 198.354 2.289 10 0 AEAERP CC[C@H](C)C[N@H+](C)C[C@](C)(N)CC 86809064 572982666 /nfs/dbraw/zinc/98/26/66/572982666.db2.gz DTRYIZHDGCDWSS-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@](C)([NH3+])C[NH2+]C1CCCCC1 86809273 572982671 /nfs/dbraw/zinc/98/26/71/572982671.db2.gz FKKCQINOPBPOPG-LLVKDONJSA-N 2 0 184.327 2.036 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C[C@](C)(N)CC 86809154 572982685 /nfs/dbraw/zinc/98/26/85/572982685.db2.gz SXEVJBRMFHQTJY-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](CC)C[C@](C)(N)CC 86809049 572982690 /nfs/dbraw/zinc/98/26/90/572982690.db2.gz HQUQOICVXHDNTJ-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP CC[N@H+](CC(C)C)C[C@](C)(N)CC 86809047 572981842 /nfs/dbraw/zinc/98/18/42/572981842.db2.gz CYTYMSSUERBNGO-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCC(CC)[N@H+](C)C[C@@](C)(N)CC 86809151 572981870 /nfs/dbraw/zinc/98/18/70/572981870.db2.gz YOCVJQUDVCNPNM-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1C[C@](C)(N)CC 86809003 572981900 /nfs/dbraw/zinc/98/19/00/572981900.db2.gz VVZIQVODWXPYOB-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@](C)([NH3+])CC 86810136 572981908 /nfs/dbraw/zinc/98/19/08/572981908.db2.gz ZXZXXSBOPSYMFA-GHMZBOCLSA-N 2 0 186.343 2.282 10 0 AEAERP CC[C@@H]1CCC[N@H+](C[C@](C)(N)CC)C1 86809168 572981948 /nfs/dbraw/zinc/98/19/48/572981948.db2.gz VIUGIDGSXCZSJG-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@](C)(N)C[N@H+](CC1CC1)C(C)C 86809806 572981961 /nfs/dbraw/zinc/98/19/61/572981961.db2.gz QWCDIAMOJJCFEJ-GFCCVEGCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](C[C@@](C)(N)CC)C(C)C 86809021 572982641 /nfs/dbraw/zinc/98/26/41/572982641.db2.gz BLQLVBGGPRRDKH-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@](C)([NH3+])CC 86810142 572982068 /nfs/dbraw/zinc/98/20/68/572982068.db2.gz ZXZXXSBOPSYMFA-MNOVXSKESA-N 2 0 186.343 2.282 10 0 AEAERP CC[C@](C)([NH3+])C[NH2+]C1C(C)(C)C1(C)C 86810743 572982118 /nfs/dbraw/zinc/98/21/18/572982118.db2.gz SYLJCQBAFNJKTP-LBPRGKRZSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@](C)(N)CC 86809158 572982164 /nfs/dbraw/zinc/98/21/64/572982164.db2.gz SXEVJBRMFHQTJY-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@](C)(N)C[N@@H+]1CCC[C@@H]1C(C)C 86810696 572982171 /nfs/dbraw/zinc/98/21/71/572982171.db2.gz YLUYKRHHXDYWQR-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1C[C@](C)(N)CC 86809000 572982230 /nfs/dbraw/zinc/98/22/30/572982230.db2.gz VVZIQVODWXPYOB-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H](C)C[N@H+](C)C[C@](C)(N)CC 86809062 572982292 /nfs/dbraw/zinc/98/22/92/572982292.db2.gz DTRYIZHDGCDWSS-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP CCC1CC[NH+](C[C@@](C)([NH3+])CC)CC1 86809477 572982310 /nfs/dbraw/zinc/98/23/10/572982310.db2.gz NFTYQLZOYDORPW-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C[C@](C)(N)CC)C(C)C 86809018 572982313 /nfs/dbraw/zinc/98/23/13/572982313.db2.gz BLQLVBGGPRRDKH-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@](C)(N)C[N@H+](C)CC1CCCC1 86810411 572982384 /nfs/dbraw/zinc/98/23/84/572982384.db2.gz XFJDWFYOLYRXQN-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@](C)([NH3+])C[NH2+]C1C(C)(C)C1(C)C 86810745 572982437 /nfs/dbraw/zinc/98/24/37/572982437.db2.gz SYLJCQBAFNJKTP-GFCCVEGCSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@](C)([NH3+])C[NH2+]C1(C)CCCC1 86810628 572983364 /nfs/dbraw/zinc/98/33/64/572983364.db2.gz PWAVXGYLVRAAID-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@](C)([NH3+])CC 86810144 572982462 /nfs/dbraw/zinc/98/24/62/572982462.db2.gz ZXZXXSBOPSYMFA-QWRGUYRKSA-N 2 0 186.343 2.282 10 0 AEAERP CCC[N@H+](CC1CC1)C[C@@](C)(N)CC 86809586 572982503 /nfs/dbraw/zinc/98/25/03/572982503.db2.gz FAVRBKGYAGOFLI-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@](C)([NH3+])C[NH2+]CC1(C)CCCC1 86810442 572982552 /nfs/dbraw/zinc/98/25/52/572982552.db2.gz NTMBOAFKYXWMCF-LBPRGKRZSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@](C)([NH3+])C[NH2+]C1CCCCC1 86809270 572983428 /nfs/dbraw/zinc/98/34/28/572983428.db2.gz FKKCQINOPBPOPG-NSHDSACASA-N 2 0 184.327 2.036 10 0 AEAERP CCC[N@H+](CC1CC1)C[C@](C)(N)CC 86809583 572982714 /nfs/dbraw/zinc/98/27/14/572982714.db2.gz FAVRBKGYAGOFLI-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCC[N@H+](C[C@](C)(N)CC)C1 86809171 572982737 /nfs/dbraw/zinc/98/27/37/572982737.db2.gz VIUGIDGSXCZSJG-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@](C)(N)C[N@H+](C)[C@@H](C)C(C)C 86809144 572982821 /nfs/dbraw/zinc/98/28/21/572982821.db2.gz BYJKFWJXPTVZQE-QWRGUYRKSA-N 2 0 186.343 2.090 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@](C)(N)CC 86810478 572982982 /nfs/dbraw/zinc/98/29/82/572982982.db2.gz RBIBWRQTTIJFSN-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CC[N@H+](C[C@](C)(N)CC)C1CCCC1 86809104 572983003 /nfs/dbraw/zinc/98/30/03/572983003.db2.gz FZTMKTASDIQKOJ-GFCCVEGCSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@](C)(N)C[N@H+](CC(C)C)C1CC1 86809781 572983008 /nfs/dbraw/zinc/98/30/08/572983008.db2.gz DDVUTMNMSMKSPS-LBPRGKRZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@](C)(N)C[N@H+](C)C1CCCCC1 86808834 572983069 /nfs/dbraw/zinc/98/30/69/572983069.db2.gz GBJRZNDLOQZCTH-LBPRGKRZSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@](C)([NH3+])C[NH2+]C1CCCCCC1 86809262 572983080 /nfs/dbraw/zinc/98/30/80/572983080.db2.gz JIACHZPLINNHRL-GFCCVEGCSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@@](C)([NH3+])C[NH2+]C1(C)CCCCC1 86809988 572983098 /nfs/dbraw/zinc/98/30/98/572983098.db2.gz JXBREXXTXURDKV-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CCCC[N@H+](CC)C[C@](C)(N)CC 86808817 572983102 /nfs/dbraw/zinc/98/31/02/572983102.db2.gz IFKHLMJMDCXDNN-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CC[N@H+](CC(C)C)C[C@@](C)(N)CC 86809045 572983129 /nfs/dbraw/zinc/98/31/29/572983129.db2.gz CYTYMSSUERBNGO-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@](C)([NH3+])C[NH2+]C1CCCCCC1 86809260 572983153 /nfs/dbraw/zinc/98/31/53/572983153.db2.gz JIACHZPLINNHRL-LBPRGKRZSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@](C)(N)C[N@H+](CC1CC1)C(C)C 86809803 572983155 /nfs/dbraw/zinc/98/31/55/572983155.db2.gz QWCDIAMOJJCFEJ-LBPRGKRZSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@](C)([NH3+])CC 86810138 572983186 /nfs/dbraw/zinc/98/31/86/572983186.db2.gz ZXZXXSBOPSYMFA-WDEREUQCSA-N 2 0 186.343 2.282 10 0 AEAERP CC[C@H](C)[N@H+](CC)C[C@](C)(N)CC 86809052 572983218 /nfs/dbraw/zinc/98/32/18/572983218.db2.gz HQUQOICVXHDNTJ-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC[N@H+](C[C@@](C)(N)CC)C1CCCC1 86809101 572983240 /nfs/dbraw/zinc/98/32/40/572983240.db2.gz FZTMKTASDIQKOJ-LBPRGKRZSA-N 2 0 198.354 2.378 10 0 AEAERP CCC1CC[NH+](C[C@](C)([NH3+])CC)CC1 86809475 572983292 /nfs/dbraw/zinc/98/32/92/572983292.db2.gz NFTYQLZOYDORPW-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@](C)(N)C[N@H+](C)[C@@H](C)C(C)C 86809146 572983302 /nfs/dbraw/zinc/98/33/02/572983302.db2.gz BYJKFWJXPTVZQE-WDEREUQCSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@@](C)(N)C[N@H+](C)C1CCCCC1 86808836 572983311 /nfs/dbraw/zinc/98/33/11/572983311.db2.gz GBJRZNDLOQZCTH-GFCCVEGCSA-N 2 0 198.354 2.378 10 0 AEAERP CCC(CC)[N@H+](C)C[C@](C)(N)CC 86809149 572983333 /nfs/dbraw/zinc/98/33/33/572983333.db2.gz YOCVJQUDVCNPNM-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@](C)(N)C[N@H+](C)CC1CCCC1 86810408 572983374 /nfs/dbraw/zinc/98/33/74/572983374.db2.gz XFJDWFYOLYRXQN-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](CC)C[C@@](C)(N)CC 86808821 572983389 /nfs/dbraw/zinc/98/33/89/572983389.db2.gz IFKHLMJMDCXDNN-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[N@H+](C)CC([NH3+])(CC)CC 86814276 572983959 /nfs/dbraw/zinc/98/39/59/572983959.db2.gz AFJBQYWITLMBIY-UHFFFAOYSA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@](C)([NH3+])C[NH2+]C1(C)CCCC1 86810625 572983402 /nfs/dbraw/zinc/98/34/02/572983402.db2.gz PWAVXGYLVRAAID-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CC[C@](C)(N)C[N@@H+]1CCC[C@@H]1C(C)C 86810693 572983404 /nfs/dbraw/zinc/98/34/04/572983404.db2.gz YLUYKRHHXDYWQR-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@](C)(N)C[N@H+](CC(C)C)C1CC1 86809784 572983458 /nfs/dbraw/zinc/98/34/58/572983458.db2.gz DDVUTMNMSMKSPS-GFCCVEGCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(C)(C)[N@H+](C)C[C@@](C)(N)CC 86810480 572983513 /nfs/dbraw/zinc/98/35/13/572983513.db2.gz RBIBWRQTTIJFSN-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CCC[N@H+](CC([NH3+])(CC)CC)C1CC1 86814336 572984001 /nfs/dbraw/zinc/98/40/01/572984001.db2.gz HYDWOKOEOOFNSP-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CCC([NH3+])(CC)C[N@H+](C)C[C@H]1C[C@@H]1C 86814814 572985178 /nfs/dbraw/zinc/98/51/78/572985178.db2.gz LQFWSYYJSNYEIX-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CCC([NH3+])(CC)C[NH2+]C1(C)CCCC1 86814875 572986038 /nfs/dbraw/zinc/98/60/38/572986038.db2.gz RNVOBQXQNJNKRG-UHFFFAOYSA-N 2 0 198.354 2.426 10 0 AEAERP CCC([NH3+])(CC)C[N@H+](C)C[C@@H]1C[C@@H]1C 86814812 572986377 /nfs/dbraw/zinc/98/63/77/572986377.db2.gz LQFWSYYJSNYEIX-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H](CCC(C)(C)[NH3+])[NH+](C)C 259302563 572997162 /nfs/dbraw/zinc/99/71/62/572997162.db2.gz DDKANIFOFZPHHU-JTQLQIEISA-N 2 0 186.343 2.234 10 0 AEAERP CC[N@@H+]1CCC[C@@H](CC(C)(C)C[NH3+])C1 259593950 572997693 /nfs/dbraw/zinc/99/76/93/572997693.db2.gz ZVKNRHJGHUPBFR-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@@H+]1CCC[C@H](CC(C)(C)C[NH3+])C1 259593944 572998589 /nfs/dbraw/zinc/99/85/89/572998589.db2.gz ZVKNRHJGHUPBFR-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H](CC[NH3+])[NH2+]C1CCCCC1 113296834 572999820 /nfs/dbraw/zinc/99/98/20/572999820.db2.gz WAIHDSYKJKEGAW-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CCC(CC)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238244858 573000845 /nfs/dbraw/zinc/00/08/45/573000845.db2.gz FXYVNBAECWVEFP-WLLOZRIZSA-N 2 0 196.338 2.129 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C(C)(C)C1 259305955 573002816 /nfs/dbraw/zinc/00/28/16/573002816.db2.gz HRWZGKCVPDIMPS-JTQLQIEISA-N 2 0 198.354 2.247 10 0 AEAERP C[C@H]([NH2+]CCCC1CCCC1)[C@@H](C)[NH3+] 308472896 573002970 /nfs/dbraw/zinc/00/29/70/573002970.db2.gz CIKAVCBWDYKSOG-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[N@@H+]1CC[C@@H](C[NH3+])CC1(C)C 259305793 573003098 /nfs/dbraw/zinc/00/30/98/573003098.db2.gz HRCFJDWXGJYWAE-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]CCCC1CCCC1 308472897 573003255 /nfs/dbraw/zinc/00/32/55/573003255.db2.gz CIKAVCBWDYKSOG-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C(C)(C)C1 259305959 573003258 /nfs/dbraw/zinc/00/32/58/573003258.db2.gz HRWZGKCVPDIMPS-SNVBAGLBSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+]CCCC[N@H+](CC1CC1)C(C)C 42593658 573003276 /nfs/dbraw/zinc/00/32/76/573003276.db2.gz JEHQBQGJFHFXIO-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238244869 573003398 /nfs/dbraw/zinc/00/33/98/573003398.db2.gz FXYVNBAECWVEFP-YHPBZONMSA-N 2 0 196.338 2.129 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH2+][C@H]1CCC1(C)C 308472370 573003601 /nfs/dbraw/zinc/00/36/01/573003601.db2.gz CGBZBQUJJWYWFC-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]CCCC1CCCC1 308472898 573004017 /nfs/dbraw/zinc/00/40/17/573004017.db2.gz CIKAVCBWDYKSOG-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC1(C[NH2+][C@@H](C)C[NH2+]CC)CC1 308472890 573005171 /nfs/dbraw/zinc/00/51/71/573005171.db2.gz CIDSWDCGNRCBFL-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH2+][C@@H]1CCC1(C)C 308472373 573005809 /nfs/dbraw/zinc/00/58/09/573005809.db2.gz CGBZBQUJJWYWFC-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC1(C[NH2+][C@H](C)C[NH2+]CC)CC1 308472889 573006606 /nfs/dbraw/zinc/00/66/06/573006606.db2.gz CIDSWDCGNRCBFL-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+][C@@H](CC(C)C)C[C@H]1CCC[NH2+]C1 259598817 573006905 /nfs/dbraw/zinc/00/69/05/573006905.db2.gz YAANBIWLCJWQNG-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]CCC1CC(C)(C)[NH2+]C(C)(C)C1 196982572 573007322 /nfs/dbraw/zinc/00/73/22/573007322.db2.gz FNYNUGVUFDRIRI-UHFFFAOYSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@@H]([NH+](C)C)C(C)(C)CC[NH3+] 259305654 573008351 /nfs/dbraw/zinc/00/83/51/573008351.db2.gz DDTWLWVZCJCYHK-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[N@@H+]1CC[C@H](C[NH3+])CC1(C)C 259305797 573008545 /nfs/dbraw/zinc/00/85/45/573008545.db2.gz HRCFJDWXGJYWAE-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H]([NH+](C)C)C(C)(C)CC[NH3+] 259305648 573009017 /nfs/dbraw/zinc/00/90/17/573009017.db2.gz DDTWLWVZCJCYHK-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+][C@@H](CC(C)C)C[C@@H]1CCC[NH2+]C1 259598821 573010028 /nfs/dbraw/zinc/01/00/28/573010028.db2.gz YAANBIWLCJWQNG-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+][C@H](CC(C)C)C[C@H]1CCC[NH2+]C1 259598824 573010037 /nfs/dbraw/zinc/01/00/37/573010037.db2.gz YAANBIWLCJWQNG-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@@H](c1cccc(C[NH3+])c1)[NH+](C)C 259308610 573010751 /nfs/dbraw/zinc/01/07/51/573010751.db2.gz DGLSBAAZDLMUSI-LBPRGKRZSA-N 2 0 192.306 2.158 10 0 AEAERP C[NH2+][C@H](CC(C)C)C[C@@H]1CCC[NH2+]C1 259598820 573010860 /nfs/dbraw/zinc/01/08/60/573010860.db2.gz YAANBIWLCJWQNG-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238253199 573011833 /nfs/dbraw/zinc/01/18/33/573011833.db2.gz BWOYOCAHAXWTMR-WISYIIOYSA-N 2 0 196.338 2.129 10 0 AEAERP C[C@H]1CCC[C@H](C[NH2+]CC(C)(C)[NH3+])C1 308474069 573012187 /nfs/dbraw/zinc/01/21/87/573012187.db2.gz CXQHXNPCQXPHTE-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)[NH3+])C1 308474070 573012330 /nfs/dbraw/zinc/01/23/30/573012330.db2.gz CXQHXNPCQXPHTE-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1CCC[C@@H](C[NH2+]CC(C)(C)[NH3+])C1 308474067 573013057 /nfs/dbraw/zinc/01/30/57/573013057.db2.gz CXQHXNPCQXPHTE-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238252969 573013805 /nfs/dbraw/zinc/01/38/05/573013805.db2.gz BWOYOCAHAXWTMR-FIQHERPVSA-N 2 0 196.338 2.129 10 0 AEAERP CC[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C 49633066 573013836 /nfs/dbraw/zinc/01/38/36/573013836.db2.gz JNMROHBIDQFJHE-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC(C)(C)[NH2+]CCC(C)(C)[NH3+] 308225196 573013939 /nfs/dbraw/zinc/01/39/39/573013939.db2.gz QKDUXDOOPHUECG-UHFFFAOYSA-N 2 0 186.343 2.282 10 0 AEAERP CCC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238253189 573015051 /nfs/dbraw/zinc/01/50/51/573015051.db2.gz BWOYOCAHAXWTMR-KKOKHZNYSA-N 2 0 196.338 2.129 10 0 AEAERP CCC1(C[NH2+][C@H](C)[C@@H](C)[NH3+])CCCC1 308475602 573015377 /nfs/dbraw/zinc/01/53/77/573015377.db2.gz DPQYBDJARPVZHX-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C 49633064 573015571 /nfs/dbraw/zinc/01/55/71/573015571.db2.gz JNMROHBIDQFJHE-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@]1(C[C@@H]2CCC[N@@H+]2C)CCC[NH2+]1 258225858 573015756 /nfs/dbraw/zinc/01/57/56/573015756.db2.gz PFBIEVOQRQFLBV-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@]1(C[C@@H]2CCC[N@@H+]2C)CCC[NH2+]1 258225856 573016179 /nfs/dbraw/zinc/01/61/79/573016179.db2.gz PFBIEVOQRQFLBV-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C 49633065 573015843 /nfs/dbraw/zinc/01/58/43/573015843.db2.gz JNMROHBIDQFJHE-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC1(C[NH2+][C@@H](C)[C@@H](C)[NH3+])CCCC1 308475603 573016190 /nfs/dbraw/zinc/01/61/90/573016190.db2.gz DPQYBDJARPVZHX-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C 49633063 573017185 /nfs/dbraw/zinc/01/71/85/573017185.db2.gz JNMROHBIDQFJHE-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC1(C[NH2+][C@@H](C)[C@H](C)[NH3+])CCCC1 308475604 573016391 /nfs/dbraw/zinc/01/63/91/573016391.db2.gz DPQYBDJARPVZHX-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H]1C[C@H]1[NH2+]C[C@H]([NH3+])CC(C)C 308475990 573016441 /nfs/dbraw/zinc/01/64/41/573016441.db2.gz LDFSPTRZALZWSH-QJPTWQEYSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])CC(C)C 308475992 573016716 /nfs/dbraw/zinc/01/67/16/573016716.db2.gz LDFSPTRZALZWSH-TUAOUCFPSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CCCC[NH3+] 42602228 573016729 /nfs/dbraw/zinc/01/67/29/573016729.db2.gz LMAPIWPPPGQAQT-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C)CC[NH3+] 42602416 573016878 /nfs/dbraw/zinc/01/68/78/573016878.db2.gz FJRPKPRZUMNAFX-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[C@@](C)(C[NH3+])[NH+]1CCCC1 82390068 573018071 /nfs/dbraw/zinc/01/80/71/573018071.db2.gz BDEHQDGNQBBVAL-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP CC[C@@]1(C[C@H]2CCC[N@@H+]2C)CCC[NH2+]1 258225854 573019811 /nfs/dbraw/zinc/01/98/11/573019811.db2.gz PFBIEVOQRQFLBV-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]1CCCC[C@H]1[N@H+](C)CCCC[NH3+] 42602232 573020111 /nfs/dbraw/zinc/02/01/11/573020111.db2.gz LMAPIWPPPGQAQT-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CCCC[NH3+] 42602230 573020573 /nfs/dbraw/zinc/02/05/73/573020573.db2.gz LMAPIWPPPGQAQT-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCC[NH3+] 42602226 573020727 /nfs/dbraw/zinc/02/07/27/573020727.db2.gz LMAPIWPPPGQAQT-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1/C=C\CC[NH2+]C 258227802 573026707 /nfs/dbraw/zinc/02/67/07/573026707.db2.gz PFWGNHNOMHUGCQ-HXUAIIEXSA-N 2 0 196.338 2.027 10 0 AEAERP C[NH2+]C[C@H]1CC[C@@H]1c1ccc(C)nc1 87954332 573026417 /nfs/dbraw/zinc/02/64/17/573026417.db2.gz PTTZQLVIXURJGS-PWSUYJOCSA-N 2 0 190.290 2.103 10 0 AEAERP CC[NH2+]CCCC[N@@H+]1C[C@@H](C)C[C@@H]1C 158275060 573026700 /nfs/dbraw/zinc/02/67/00/573026700.db2.gz JOUFYPCHYQLDQY-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](CC[C@@H](C)[NH3+])C1CCCCC1 259315983 573034287 /nfs/dbraw/zinc/03/42/87/573034287.db2.gz JNKRKXPQWJLORV-ZYHUDNBSSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+][C@H](CC[C@H](C)[NH3+])C1CCCCC1 259315977 573034607 /nfs/dbraw/zinc/03/46/07/573034607.db2.gz JNKRKXPQWJLORV-CMPLNLGQSA-N 2 0 198.354 2.282 10 0 AEAERP CCCCC[N@@H+]1CCC[NH2+]CC[C@@H]1C 259314855 573036232 /nfs/dbraw/zinc/03/62/32/573036232.db2.gz IAFBIEUTCHDSJD-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+][C@@H](CC[C@H](C)[NH3+])C1CCCCC1 259315979 573037063 /nfs/dbraw/zinc/03/70/63/573037063.db2.gz JNKRKXPQWJLORV-JQWIXIFHSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+][C@@H](CC[C@@H](C)[NH3+])C1CCCCC1 259315980 573037902 /nfs/dbraw/zinc/03/79/02/573037902.db2.gz JNKRKXPQWJLORV-PWSUYJOCSA-N 2 0 198.354 2.282 10 0 AEAERP CCCCC[N@@H+]1CCC[NH2+]CC[C@H]1C 259314851 573038243 /nfs/dbraw/zinc/03/82/43/573038243.db2.gz IAFBIEUTCHDSJD-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)CC[N@@H+]1CCCCN[C@@H](C)C1 259317836 573040687 /nfs/dbraw/zinc/04/06/87/573040687.db2.gz IEHQFFKWNXEEBE-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]CC1([NH3+])CCCC1 233305904 573042739 /nfs/dbraw/zinc/04/27/39/573042739.db2.gz ADZQMBRLPVZLSD-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@](C)(C[NH3+])C[NH2+]C1CCCCC1 128473782 573042861 /nfs/dbraw/zinc/04/28/61/573042861.db2.gz NRWAAGJXSQUMJN-GFCCVEGCSA-N 2 0 198.354 2.284 10 0 AEAERP C[N@@H+]1CCCC[C@@H]1CC1([NH3+])CCCC1 257934068 573042966 /nfs/dbraw/zinc/04/29/66/573042966.db2.gz HIBJDTXPNFOFNF-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CCC[C@H]1CCCC[N@@H+]1CCCC[NH3+] 213048716 573043695 /nfs/dbraw/zinc/04/36/95/573043695.db2.gz FYFJEMNPNIHZST-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP C[N@@H+]1CCCC[C@H]1CC1([NH3+])CCCC1 257934071 573043793 /nfs/dbraw/zinc/04/37/93/573043793.db2.gz HIBJDTXPNFOFNF-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+]C1CCCC1 128578163 573044144 /nfs/dbraw/zinc/04/41/44/573044144.db2.gz RDJDACSUZKXTJA-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CCC[C@@H]1CCCC[N@@H+]1CCCC[NH3+] 213048662 573044364 /nfs/dbraw/zinc/04/43/64/573044364.db2.gz FYFJEMNPNIHZST-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+]CC(C)(C)C 128582252 573044428 /nfs/dbraw/zinc/04/44/28/573044428.db2.gz NHCANDZPSXUNCQ-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@H](C)N1CCC[C@@H]([NH2+]C)C1(C)C 259317740 573046895 /nfs/dbraw/zinc/04/68/95/573046895.db2.gz IDWTXNJKUHKVGO-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH2+]CC(C)(C)C 128582470 573047162 /nfs/dbraw/zinc/04/71/62/573047162.db2.gz NHCANDZPSXUNCQ-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@](C)(C[NH3+])C[NH2+]C1CCCCC1 128473590 573047831 /nfs/dbraw/zinc/04/78/31/573047831.db2.gz NRWAAGJXSQUMJN-LBPRGKRZSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)CC[N@@H+]1CCCCN[C@H](C)C1 259317830 573047969 /nfs/dbraw/zinc/04/79/69/573047969.db2.gz IEHQFFKWNXEEBE-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49707830 573050267 /nfs/dbraw/zinc/05/02/67/573050267.db2.gz UTHVGPIGXWBNFG-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C 49694189 573050400 /nfs/dbraw/zinc/05/04/00/573050400.db2.gz HJWQUFFEFYIFIK-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[N@@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49709097 573052313 /nfs/dbraw/zinc/05/23/13/573052313.db2.gz NUYUHFWWODWEEG-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@@H]1CC[N@H+](CCC[NH2+]CC)C1 128517334 573054166 /nfs/dbraw/zinc/05/41/66/573054166.db2.gz GHNUWQUPKKCWLO-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CCCCC[N@@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49707829 573053750 /nfs/dbraw/zinc/05/37/50/573053750.db2.gz UTHVGPIGXWBNFG-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@](C)(C[NH3+])C[NH2+]C1(C)CCCC1 128507638 573054248 /nfs/dbraw/zinc/05/42/48/573054248.db2.gz OFJGZEYHJKFLLG-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC1([NH2+]CC2([NH3+])CCC2)CCCCC1 88052047 573056250 /nfs/dbraw/zinc/05/62/50/573056250.db2.gz JZSHISNXXHTRCT-UHFFFAOYSA-N 2 0 196.338 2.180 10 0 AEAERP CCC[C@H]1CC[N@H+](CCC[NH2+]CC)C1 128517528 573056620 /nfs/dbraw/zinc/05/66/20/573056620.db2.gz GHNUWQUPKKCWLO-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)CC1 235696959 573058934 /nfs/dbraw/zinc/05/89/34/573058934.db2.gz SDXJOZBUAUIJPJ-UZEXVOJHSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])C1CC[NH+](CC(C)(C)C)CC1 82474732 573059298 /nfs/dbraw/zinc/05/92/98/573059298.db2.gz USGGQFXDSMPCTI-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH+]1CCC(C)CC1 128537031 573060214 /nfs/dbraw/zinc/06/02/14/573060214.db2.gz CPMJHMVAKBRKNK-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H]([NH3+])CC[N@@H+]1CCCC[C@@H]1C 128537330 573060315 /nfs/dbraw/zinc/06/03/15/573060315.db2.gz IGQATRKLCNEHIH-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H]([NH3+])CC[N@@H+]1CCC[C@H](C)C1 128539224 573060885 /nfs/dbraw/zinc/06/08/85/573060885.db2.gz PTKXDVKCDRZXIV-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](C)CC[C@H]([NH3+])CCC 128542263 573061760 /nfs/dbraw/zinc/06/17/60/573061760.db2.gz RQGAGPHEGHAJEK-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])CC1(C)C 259320457 573062101 /nfs/dbraw/zinc/06/21/01/573062101.db2.gz IHHDCRSLSFPBJN-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([NH3+])C1CC[NH+](CC(C)(C)C)CC1 82474733 573063518 /nfs/dbraw/zinc/06/35/18/573063518.db2.gz USGGQFXDSMPCTI-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])CC1(C)C 259320461 573063970 /nfs/dbraw/zinc/06/39/70/573063970.db2.gz IHHDCRSLSFPBJN-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH+]1CCCCCC1 128540014 573064363 /nfs/dbraw/zinc/06/43/63/573064363.db2.gz IPUBQDNSWOIDGU-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP CC(C)=CC[NH+]1CCC([C@@H](C)[NH3+])CC1 82474971 573064466 /nfs/dbraw/zinc/06/44/66/573064466.db2.gz CGXBBLQHDJDOKK-LLVKDONJSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@@H+]1CCCC[C@@H]1C 128537572 573064545 /nfs/dbraw/zinc/06/45/45/573064545.db2.gz IGQATRKLCNEHIH-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@H+](C)C1CCCC1 128553803 573065986 /nfs/dbraw/zinc/06/59/86/573065986.db2.gz ROIDMIQNHQGYIN-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+](CC)C(C)C 128552566 573066368 /nfs/dbraw/zinc/06/63/68/573066368.db2.gz LJNJIKIHOXHFES-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+](C)CC(C)C 128555945 573066612 /nfs/dbraw/zinc/06/66/12/573066612.db2.gz IQDVLHLDSASVGO-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+](CCC)C1CC1 128555032 573066867 /nfs/dbraw/zinc/06/68/67/573066867.db2.gz ZDTCHMVNFARVMB-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C1CC1 128565279 573067042 /nfs/dbraw/zinc/06/70/42/573067042.db2.gz DWIGWXJEVRGOGA-CMPLNLGQSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](CCCC(N)=[NH2+])CC(C)C 308488754 573067081 /nfs/dbraw/zinc/06/70/81/573067081.db2.gz PMWTWVQPBFRMQC-UHFFFAOYSA-N 2 0 199.342 2.071 10 0 AEAERP CCC(CC)C[N@H+](C)CC1CC([NH3+])C1 128558610 573067289 /nfs/dbraw/zinc/06/72/89/573067289.db2.gz OFTIBAAALOCDMP-UHFFFAOYSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C1CC1 128565070 573067598 /nfs/dbraw/zinc/06/75/98/573067598.db2.gz DWIGWXJEVRGOGA-JQWIXIFHSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C1CCC([NH2+]C)CC1)[NH+](C)C 259321697 573067542 /nfs/dbraw/zinc/06/75/42/573067542.db2.gz DQIYCRSZGZAJPW-HTAVTVPLSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H](C1CC1)[N@H+](C)CC(C)(C)CC[NH3+] 308488526 573067584 /nfs/dbraw/zinc/06/75/84/573067584.db2.gz PSUTZHCWIIFTHY-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP [NH3+][C@@H](C[NH2+]C1CCCCC1)CC1CC1 308494408 573068075 /nfs/dbraw/zinc/06/80/75/573068075.db2.gz SGMOLAJFJZAMNC-LLVKDONJSA-N 2 0 196.338 2.036 10 0 AEAERP CC1=CC[N@H+](CC(C)(C)CC[NH3+])CC1 308494406 573068465 /nfs/dbraw/zinc/06/84/65/573068465.db2.gz SGLJPJSQWDZWEN-UHFFFAOYSA-N 2 0 196.338 2.013 10 0 AEAERP [NH3+][C@H](C[NH2+]C1CCCCC1)CC1CC1 308494410 573068600 /nfs/dbraw/zinc/06/86/00/573068600.db2.gz SGMOLAJFJZAMNC-NSHDSACASA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@H+](CC)CCC 128554260 573068907 /nfs/dbraw/zinc/06/89/07/573068907.db2.gz BUYJJRUMRCJTLY-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP C[C@H](C1CC1)[N@H+](C)CC(C)(C)CC[NH3+] 308488527 573068951 /nfs/dbraw/zinc/06/89/51/573068951.db2.gz PSUTZHCWIIFTHY-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@H+](CCC)C1CC1 128555271 573069025 /nfs/dbraw/zinc/06/90/25/573069025.db2.gz ZDTCHMVNFARVMB-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@H+](CC)C(C)C 128552798 573069667 /nfs/dbraw/zinc/06/96/67/573069667.db2.gz LJNJIKIHOXHFES-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+](C)C1CCCC1 128553559 573070081 /nfs/dbraw/zinc/07/00/81/573070081.db2.gz ROIDMIQNHQGYIN-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H](C1CCC([NH2+]C)CC1)[NH+](C)C 259321700 573070255 /nfs/dbraw/zinc/07/02/55/573070255.db2.gz DQIYCRSZGZAJPW-MCIGGMRASA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+](C)[C@@H](C)CC 128556446 573071399 /nfs/dbraw/zinc/07/13/99/573071399.db2.gz HFDWDKYHLNTXMO-QWRGUYRKSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H]1CC[C@@H](C)[N@H+](C/C=C/C[NH3+])C1 308488932 573070905 /nfs/dbraw/zinc/07/09/05/573070905.db2.gz PTJALYLFCNVZPB-GKUNOOHESA-N 2 0 196.338 2.012 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH2+]C1CCCCC1 128573903 573073007 /nfs/dbraw/zinc/07/30/07/573073007.db2.gz ATMSWTWRDZROEE-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@@H+]1CCC[C@@H]1CC 128572226 573073194 /nfs/dbraw/zinc/07/31/94/573073194.db2.gz UWLNISIIPCXLCR-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H]([NH3+])CC[N@@H+]1CCC[C@@H]1CC 128571989 573073661 /nfs/dbraw/zinc/07/36/61/573073661.db2.gz UWLNISIIPCXLCR-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+]C1CCCCC1 128573731 573074194 /nfs/dbraw/zinc/07/41/94/573074194.db2.gz ATMSWTWRDZROEE-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@@H]1CC[C@@H](C)[N@H+](C/C=C\C[NH3+])C1 308488936 573074903 /nfs/dbraw/zinc/07/49/03/573074903.db2.gz PTJALYLFCNVZPB-XLMCQVRKSA-N 2 0 196.338 2.012 10 0 AEAERP CC[C@@H]1CC[C@H](C)[N@H+](C/C=C/C[NH3+])C1 308488935 573075380 /nfs/dbraw/zinc/07/53/80/573075380.db2.gz PTJALYLFCNVZPB-RUULKOMLSA-N 2 0 196.338 2.012 10 0 AEAERP CC[C@@H]1CC[C@H](C)[N@H+](C/C=C\C[NH3+])C1 308488934 573075947 /nfs/dbraw/zinc/07/59/47/573075947.db2.gz PTJALYLFCNVZPB-KBIXYVOKSA-N 2 0 196.338 2.012 10 0 AEAERP C[C@H]1CCC[N@H+](CC(C)(C)C[NH3+])CC1 82490216 573077919 /nfs/dbraw/zinc/07/79/19/573077919.db2.gz FEUSQOFDBZHOIY-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H]1CC[N@H+](CC(C)(C)CC[NH3+])C1 308492027 573078506 /nfs/dbraw/zinc/07/85/06/573078506.db2.gz RDYFHMIFBRJSIW-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC2)CC1 235698842 573078172 /nfs/dbraw/zinc/07/81/72/573078172.db2.gz GKKJTOPPCMPWCJ-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)C[NH2+]CC[C@H]1CCCC[N@@H+]1C 49754999 573079030 /nfs/dbraw/zinc/07/90/30/573079030.db2.gz LOGBFVMGUVTCSU-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[NH2+]CC[C@@H]1CCCC[N@@H+]1C 49750724 573080816 /nfs/dbraw/zinc/08/08/16/573080816.db2.gz WUNGUTXUIVDNTL-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[C@@H]1CCC[N@H+](CC(C)(C)C[NH3+])CC1 82490213 573081885 /nfs/dbraw/zinc/08/18/85/573081885.db2.gz FEUSQOFDBZHOIY-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+]C[C@@H](C)CC 128629068 573085189 /nfs/dbraw/zinc/08/51/89/573085189.db2.gz HSXLRNZWPHTION-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+]C[C@H](C)CC 128629442 573085993 /nfs/dbraw/zinc/08/59/93/573085993.db2.gz HSXLRNZWPHTION-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH2+]C[C@@H](C)CC 128629251 573088936 /nfs/dbraw/zinc/08/89/36/573088936.db2.gz HSXLRNZWPHTION-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1CC(C)(C)C[NH3+] 49811921 573089049 /nfs/dbraw/zinc/08/90/49/573089049.db2.gz PTNOBLLZBTYSNZ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@](C)(C[NH3+])C[N@H+](C)CCC1CC1 308500301 573091452 /nfs/dbraw/zinc/09/14/52/573091452.db2.gz GGCMAMXUWJIQBY-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@H+](C)CC1CCC1 128630973 573091517 /nfs/dbraw/zinc/09/15/17/573091517.db2.gz VPMMBYXRAGLRED-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1CC(C)(C)C[NH3+] 49811922 573091997 /nfs/dbraw/zinc/09/19/97/573091997.db2.gz PTNOBLLZBTYSNZ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H]([NH3+])CC[N@@H+]1CCCC1(C)C 128635834 573093592 /nfs/dbraw/zinc/09/35/92/573093592.db2.gz QHUHPIDSUKZZJZ-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+]C[C@H]1CCC(C)(C)[N@@H+](C(C)C)C1 259327162 573093850 /nfs/dbraw/zinc/09/38/50/573093850.db2.gz IPPIJQKECUUAJH-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]([NH2+][C@H]1CC[C@@H]([NH3+])C1)C1CCCC1 88162985 573094229 /nfs/dbraw/zinc/09/42/29/573094229.db2.gz FARAIUMTWNXNHH-JLLWLGSASA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@@](C)(C[NH3+])C[N@H+](C)CCC1CC1 308500302 573094810 /nfs/dbraw/zinc/09/48/10/573094810.db2.gz GGCMAMXUWJIQBY-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+](C)CC1CCC1 128630763 573095373 /nfs/dbraw/zinc/09/53/73/573095373.db2.gz VPMMBYXRAGLRED-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@@H+]1CCCC1(C)C 128636048 573095606 /nfs/dbraw/zinc/09/56/06/573095606.db2.gz QHUHPIDSUKZZJZ-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+]C1(C)CCCC1 128657949 573095911 /nfs/dbraw/zinc/09/59/11/573095911.db2.gz ZOMDNRWVIDPINH-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH2+]C1(C)CCCC1 128658166 573096166 /nfs/dbraw/zinc/09/61/66/573096166.db2.gz ZOMDNRWVIDPINH-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CCC1(CC)CN[C@@H]2CCCC[C@@H]2[NH2+]1 114596479 573096540 /nfs/dbraw/zinc/09/65/40/573096540.db2.gz LUYINHXADYQQNX-MNOVXSKESA-N 2 0 196.338 2.049 10 0 AEAERP C[C@H]([NH2+][C@H]1CC[C@@H]([NH3+])C1)C1CCCC1 88162885 573096620 /nfs/dbraw/zinc/09/66/20/573096620.db2.gz FARAIUMTWNXNHH-WCQGTBRESA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]([NH2+][C@@H]1CC[C@@H]([NH3+])C1)C1CCCC1 88162984 573096767 /nfs/dbraw/zinc/09/67/67/573096767.db2.gz FARAIUMTWNXNHH-YUSALJHKSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@H]([NH3+])CC[N@H+]1C[C@@H](C)[C@@H](C)C1 128663943 573096857 /nfs/dbraw/zinc/09/68/57/573096857.db2.gz MLRDOAUYWOPWGY-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@@H+]1CCC(C)(C)C1 128668224 573097203 /nfs/dbraw/zinc/09/72/03/573097203.db2.gz LQTNRJGBHPIMLI-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)[C@H]1CC[C@@H]([NH3+])CC1 308254775 573097206 /nfs/dbraw/zinc/09/72/06/573097206.db2.gz CXCXMNPNSZNOMC-TXEJJXNPSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[C@H]([NH3+])CC[N@@H+]1CCC(C)(C)C1 128667958 573097361 /nfs/dbraw/zinc/09/73/61/573097361.db2.gz LQTNRJGBHPIMLI-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC1(CC)CN[C@@H]2CCCC[C@H]2[NH2+]1 114596474 573097799 /nfs/dbraw/zinc/09/77/99/573097799.db2.gz LUYINHXADYQQNX-GHMZBOCLSA-N 2 0 196.338 2.049 10 0 AEAERP CCC1(CC)CN[C@H]2CCCC[C@@H]2[NH2+]1 114596477 573097908 /nfs/dbraw/zinc/09/79/08/573097908.db2.gz LUYINHXADYQQNX-QWRGUYRKSA-N 2 0 196.338 2.049 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1CC1([NH3+])CCC1 257943805 573097914 /nfs/dbraw/zinc/09/79/14/573097914.db2.gz ICNRSGPOLTYWBO-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP C[NH2+]C[C@@H]1CCC(C)(C)[N@@H+](C(C)C)C1 259327163 573098122 /nfs/dbraw/zinc/09/81/22/573098122.db2.gz IPPIJQKECUUAJH-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1CC1([NH3+])CCC1 257943807 573098436 /nfs/dbraw/zinc/09/84/36/573098436.db2.gz ICNRSGPOLTYWBO-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CCC[C@@H]([NH3+])CC[N@H+]1C[C@@H](C)[C@@H](C)C1 128664150 573099279 /nfs/dbraw/zinc/09/92/79/573099279.db2.gz MLRDOAUYWOPWGY-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CCC1(CC)CN[C@H]2CCCC[C@H]2[NH2+]1 114596482 573099374 /nfs/dbraw/zinc/09/93/74/573099374.db2.gz LUYINHXADYQQNX-WDEREUQCSA-N 2 0 196.338 2.049 10 0 AEAERP [NH3+]C1(C[C@@H]2CCC[NH2+]C2)CCCCC1 257941627 573102109 /nfs/dbraw/zinc/10/21/09/573102109.db2.gz HXTLLBWKEKQMKH-NSHDSACASA-N 2 0 196.338 2.038 10 0 AEAERP [NH3+]C1(C[C@H]2CCC[NH2+]C2)CCCCC1 257941625 573102113 /nfs/dbraw/zinc/10/21/13/573102113.db2.gz HXTLLBWKEKQMKH-LLVKDONJSA-N 2 0 196.338 2.038 10 0 AEAERP C[NH2+]CCC/C=C\C1=C[N@H+](C)CCC1 308262274 573105276 /nfs/dbraw/zinc/10/52/76/573105276.db2.gz NGJCNBVTWUVBOU-DAXSKMNVSA-N 2 0 194.322 2.152 10 0 AEAERP CC(C)C[NH2+]C/C=C/C[NH2+]CC(C)C 308263164 573106667 /nfs/dbraw/zinc/10/66/67/573106667.db2.gz PWHDPBHPAYWLHQ-AATRIKPKSA-N 2 0 198.354 2.034 10 0 AEAERP CC(C)(C)CC[N@@H+]1CCC[C@H]1CC[NH3+] 308496109 573108999 /nfs/dbraw/zinc/10/89/99/573108999.db2.gz WCOSNNQYXRZSSO-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H]1CC(C)(C)C[NH3+] 259332878 573109014 /nfs/dbraw/zinc/10/90/14/573109014.db2.gz DDYRKKCLWMTFAO-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H]([NH3+])C1CCC([NH+](C)C)CC1 715246630 573110502 /nfs/dbraw/zinc/11/05/02/573110502.db2.gz CDWRHPYLZFIVQA-MCIGGMRASA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)(C)CC[N@@H+]1CCC[C@@H]1CC[NH3+] 308496107 573110304 /nfs/dbraw/zinc/11/03/04/573110304.db2.gz WCOSNNQYXRZSSO-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC1(C)CC[NH+](C(C)(C)CC[NH3+])CC1 259332283 573110364 /nfs/dbraw/zinc/11/03/64/573110364.db2.gz RSKYFMHIPQCIMS-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H]1CC(C)(C)C[NH3+] 259332874 573112067 /nfs/dbraw/zinc/11/20/67/573112067.db2.gz DDYRKKCLWMTFAO-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@@H+]1CCC[C@H](CC[NH3+])C1(C)C 259329922 573113104 /nfs/dbraw/zinc/11/31/04/573113104.db2.gz IUVZIIXSQSLZIX-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1(C)C 259329927 573114464 /nfs/dbraw/zinc/11/44/64/573114464.db2.gz IUVZIIXSQSLZIX-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCCC[N@H+]1CC(C)(C)[C@@H](C)[NH3+] 85678133 573114881 /nfs/dbraw/zinc/11/48/81/573114881.db2.gz SORQVWUEUZFDKL-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CCC[N@@H+](CC(C)(C)[C@@H](C)[NH3+])C1 85678172 573114690 /nfs/dbraw/zinc/11/46/90/573114690.db2.gz CLBJQJBPENWHOV-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CCCC[N@H+]1CC(C)(C)[C@@H](C)[NH3+] 85678129 573115869 /nfs/dbraw/zinc/11/58/69/573115869.db2.gz SORQVWUEUZFDKL-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CC1CC[NH+](CC(C)(C)[C@H](C)[NH3+])CC1 85678038 573116098 /nfs/dbraw/zinc/11/60/98/573116098.db2.gz WDESUEPZVGIGAS-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH3+])C(C)(C)C[NH+]1CCCCCC1 85678185 573116733 /nfs/dbraw/zinc/11/67/33/573116733.db2.gz MVJUXTOCRBKTSD-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]([NH3+])C(C)(C)C[N@@H+]1CCCC1(C)C 85679535 573117979 /nfs/dbraw/zinc/11/79/79/573117979.db2.gz LNRGHKSFJIEGCH-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1CCC[N@@H+](CC(C)(C)[C@@H](C)[NH3+])C1 85678175 573118623 /nfs/dbraw/zinc/11/86/23/573118623.db2.gz CLBJQJBPENWHOV-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([NH3+])C(C)(C)C[NH+]1CCCCCC1 85678187 573118582 /nfs/dbraw/zinc/11/85/82/573118582.db2.gz MVJUXTOCRBKTSD-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)[N@H+](CCC)CCC[NH3+] 233333725 573121186 /nfs/dbraw/zinc/12/11/86/573121186.db2.gz ALGNZXLBPPTWDE-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@H](C)[NH2+]CC[NH2+]CC(C)(C)C 40495000 573122094 /nfs/dbraw/zinc/12/20/94/573122094.db2.gz IWYMICYMKBLRLQ-JTQLQIEISA-N 2 0 186.343 2.010 10 0 AEAERP C[NH+](C)[C@@H]1CCC[C@H](C(C)(C)C[NH3+])C1 238288896 573122452 /nfs/dbraw/zinc/12/24/52/573122452.db2.gz RMOLQKHIEXCHPT-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259335023 573122760 /nfs/dbraw/zinc/12/27/60/573122760.db2.gz RWGYBGSWMOVDPR-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[NH2+]CC[NH2+]CC(C)(C)C 40494999 573123009 /nfs/dbraw/zinc/12/30/09/573123009.db2.gz IWYMICYMKBLRLQ-SNVBAGLBSA-N 2 0 186.343 2.010 10 0 AEAERP CC(C)[NH2+]CCC[NH2+]CC(C)(C)C 40495001 573123407 /nfs/dbraw/zinc/12/34/07/573123407.db2.gz PPFKKSSJPVNCEY-UHFFFAOYSA-N 2 0 186.343 2.010 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@@H]([NH2+]C)C(C)(C)C1 259335028 573124660 /nfs/dbraw/zinc/12/46/60/573124660.db2.gz RWGYBGSWMOVDPR-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH+](C)C(C)(C)[C@H]([NH3+])C1CCCCC1 85736604 573125245 /nfs/dbraw/zinc/12/52/45/573125245.db2.gz XPEJXIFSJCJUBR-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH+](C)C(C)(C)[C@@H]([NH3+])C1CCCCC1 85736607 573128812 /nfs/dbraw/zinc/12/88/12/573128812.db2.gz XPEJXIFSJCJUBR-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C[NH3+] 715131255 573131882 /nfs/dbraw/zinc/13/18/82/573131882.db2.gz DBJWEUBNGABYQR-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H](N)C1([NH+](C)C)CCCCC1 85753108 573132816 /nfs/dbraw/zinc/13/28/16/573132816.db2.gz DLYOPIHMWWTLOI-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP [NH3+]CC1([C@@H]([NH3+])C2CCCCC2)CCC1 259339103 573132861 /nfs/dbraw/zinc/13/28/61/573132861.db2.gz JIJCVRIGCMOULN-NSHDSACASA-N 2 0 196.338 2.023 10 0 AEAERP [NH3+]CC1([C@H]([NH3+])C2CCCCC2)CCC1 259339099 573133790 /nfs/dbraw/zinc/13/37/90/573133790.db2.gz JIJCVRIGCMOULN-LLVKDONJSA-N 2 0 196.338 2.023 10 0 AEAERP CC[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]C1 49842989 573133238 /nfs/dbraw/zinc/13/32/38/573133238.db2.gz DRYOZYKNQFSXQY-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+][C@@H](C)C1(N2CCCC2)CCCC1 85752574 573133343 /nfs/dbraw/zinc/13/33/43/573133343.db2.gz IRMBFKWLGKUUEB-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@](C)([C@@H](CC1CC1)[NH2+]C)N(C)C 85746347 573134627 /nfs/dbraw/zinc/13/46/27/573134627.db2.gz PFNJGLCRCFCUBC-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](N)[C@]1([NH+](C)C)CCC[C@H](C)C1 85753752 573134660 /nfs/dbraw/zinc/13/46/60/573134660.db2.gz XDEGZQQNFVGTOE-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)([C@H](N)C(C)C)[NH+](C)C 85750682 573134713 /nfs/dbraw/zinc/13/47/13/573134713.db2.gz AOPHOOCPSGWHTF-SNVBAGLBSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)(C)[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740380 573134815 /nfs/dbraw/zinc/13/48/15/573134815.db2.gz NMXBIRNESVMXOT-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](N)[C@@]1([NH+](C)C)CCC[C@H](C)C1 85753756 573135270 /nfs/dbraw/zinc/13/52/70/573135270.db2.gz XDEGZQQNFVGTOE-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP CCN(CC)C1([C@@H](C)[NH2+]C)CCCC1 85752361 573135646 /nfs/dbraw/zinc/13/56/46/573135646.db2.gz NBCMSQUHPXCMOB-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[C@@H](N)C1([NH+](C)C)CCCCC1 85753110 573135808 /nfs/dbraw/zinc/13/58/08/573135808.db2.gz DLYOPIHMWWTLOI-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@H](C(C)C)C(C)(C)[NH+]1CCCC1 85740740 573136108 /nfs/dbraw/zinc/13/61/08/573136108.db2.gz JYFMPWBAOKVYEG-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C1CC1)[C@@](C)(CC)N(C)C 85746897 573137311 /nfs/dbraw/zinc/13/73/11/573137311.db2.gz SEXKUBBAIUEORI-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)C[C@@H](CN)[NH2+]C1CC=CC1 394427956 573138040 /nfs/dbraw/zinc/13/80/40/573138040.db2.gz SIXNGNXURWIGPF-JQWIXIFHSA-N 2 0 196.338 2.058 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H]1CCC1([NH3+])CC1 257953446 573138180 /nfs/dbraw/zinc/13/81/80/573138180.db2.gz IVNULKMVRGWIKG-LLVKDONJSA-N 2 0 196.338 2.131 10 0 AEAERP C[NH2+][C@H](C)C1(N2CCCC2)CCCC1 85752575 573138292 /nfs/dbraw/zinc/13/82/92/573138292.db2.gz IRMBFKWLGKUUEB-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP [NH3+]C1(CC2CC[NH2+]CC2)CCCCC1 257956806 573138350 /nfs/dbraw/zinc/13/83/50/573138350.db2.gz IXVGFWCMNZURTF-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H]1CCC1([NH3+])CC1 257953450 573140358 /nfs/dbraw/zinc/14/03/58/573140358.db2.gz IVNULKMVRGWIKG-NSHDSACASA-N 2 0 196.338 2.131 10 0 AEAERP CCC[C@H]1C[C@H]1[NH2+]CC(C)(C)CC[NH3+] 308503113 573141932 /nfs/dbraw/zinc/14/19/32/573141932.db2.gz XPCDCOOEOQYWBG-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP CC1(C)CC[N@@H+](C(C)(C)C)C[C@H]1C[NH3+] 259346348 573145179 /nfs/dbraw/zinc/14/51/79/573145179.db2.gz SRHITEDZSSWQNH-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP CC1(C)CC[N@@H+](C(C)(C)C)C[C@@H]1C[NH3+] 259346346 573145450 /nfs/dbraw/zinc/14/54/50/573145450.db2.gz SRHITEDZSSWQNH-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]CC(C)(C)CC[NH3+] 308503110 573146624 /nfs/dbraw/zinc/14/66/24/573146624.db2.gz XPCDCOOEOQYWBG-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)CC[NH3+] 308503111 573147068 /nfs/dbraw/zinc/14/70/68/573147068.db2.gz XPCDCOOEOQYWBG-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H]1C[C@@H]1[NH2+]CC(C)(C)CC[NH3+] 308503112 573147194 /nfs/dbraw/zinc/14/71/94/573147194.db2.gz XPCDCOOEOQYWBG-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC[N@@H+]1CCC[C@@H](C/C=C\CC[NH3+])C1 258236117 573149928 /nfs/dbraw/zinc/14/99/28/573149928.db2.gz PSHVHPVXUALRKT-VSQXVHSFSA-N 2 0 196.338 2.013 10 0 AEAERP CC[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]CC1 82666588 573150235 /nfs/dbraw/zinc/15/02/35/573150235.db2.gz NOMCBJKOZHQCAY-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC1(C)CCC[N@@H+]1[C@H]1CCC[NH2+]CC1 82666907 573150794 /nfs/dbraw/zinc/15/07/94/573150794.db2.gz UKMKTSXLYQCTNI-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]CC1 82666587 573150686 /nfs/dbraw/zinc/15/06/86/573150686.db2.gz NOMCBJKOZHQCAY-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH+](CC)CC[C@H]([NH3+])C1CCCC1 85795369 573151329 /nfs/dbraw/zinc/15/13/29/573151329.db2.gz HETLUQVGINYNKD-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@@H+]1CCC[C@H](C/C=C\CC[NH3+])C1 258236115 573151747 /nfs/dbraw/zinc/15/17/47/573151747.db2.gz PSHVHPVXUALRKT-MVZIDQBPSA-N 2 0 196.338 2.013 10 0 AEAERP C[NH2+]CCC[C@H]([NH2+]C)C1CCCCC1 259346735 573152540 /nfs/dbraw/zinc/15/25/40/573152540.db2.gz KNABGSVGIDLYID-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CC[NH+](CC)CC[C@H]([NH3+])CC1CCC1 85795463 573152091 /nfs/dbraw/zinc/15/20/91/573152091.db2.gz ZORQTVVONPVQIU-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666717 573152259 /nfs/dbraw/zinc/15/22/59/573152259.db2.gz HMGGQKPPFPBSNN-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666718 573152374 /nfs/dbraw/zinc/15/23/74/573152374.db2.gz HMGGQKPPFPBSNN-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[NH2+]CC1 82666595 573152719 /nfs/dbraw/zinc/15/27/19/573152719.db2.gz DVIAKYDZKPHWSC-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H]1CCCC[N@@H+]1C[C@@H](C)C[NH3+] 213092834 573152822 /nfs/dbraw/zinc/15/28/22/573152822.db2.gz VEJZUDXBJJVGQI-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C1CCC[NH+]([C@@H]2CCC[NH2+]CC2)CC1 82666604 573153017 /nfs/dbraw/zinc/15/30/17/573153017.db2.gz UNCOJWVEOJTPDA-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP C[N@H+](C1CCCC1)[C@H]1CCC[NH2+]CC1 82666656 573153471 /nfs/dbraw/zinc/15/34/71/573153471.db2.gz IDLIHEFVJHIZRI-LBPRGKRZSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H](C[NH2+]CCC[NH3+])C1CCCCC1 308506183 573153621 /nfs/dbraw/zinc/15/36/21/573153621.db2.gz FKJUXVHPCCEITI-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@@H](C[NH3+])CC[N@H+](C)CCC1CC1 308506331 573154197 /nfs/dbraw/zinc/15/41/97/573154197.db2.gz IUIXRZZVDPTYRS-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]CCC[C@@H]([NH2+]C)C1CCCCC1 259346732 573154255 /nfs/dbraw/zinc/15/42/55/573154255.db2.gz KNABGSVGIDLYID-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[NH2+]CCCC[N@@H+]1CC[C@@H](C)C1 40725361 573154631 /nfs/dbraw/zinc/15/46/31/573154631.db2.gz HUQROVRPJNAFJF-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC1(C)CCC[N@@H+]1[C@@H]1CCC[NH2+]CC1 82666906 573154985 /nfs/dbraw/zinc/15/49/85/573154985.db2.gz UKMKTSXLYQCTNI-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP C1CCC[NH+]([C@H]2CCC[NH2+]CC2)CC1 82666605 573155013 /nfs/dbraw/zinc/15/50/13/573155013.db2.gz UNCOJWVEOJTPDA-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@@H]1CCC[NH2+]CC1 82666838 573155378 /nfs/dbraw/zinc/15/53/78/573155378.db2.gz UQLDRQSPNFMACR-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCCC[N@@H+]1[C@@H]1CCC[NH2+]CC1 82666596 573155437 /nfs/dbraw/zinc/15/54/37/573155437.db2.gz DVIAKYDZKPHWSC-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@H](C[NH3+])CC[N@H+](C)CCC1CC1 308506333 573155967 /nfs/dbraw/zinc/15/59/67/573155967.db2.gz IUIXRZZVDPTYRS-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C[NH2+]CCC[NH3+])C1CCCCC1 308506185 573156571 /nfs/dbraw/zinc/15/65/71/573156571.db2.gz FKJUXVHPCCEITI-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP C[N@H+](CCC1CC1)CC(C)(C)CC[NH3+] 308506594 573157465 /nfs/dbraw/zinc/15/74/65/573157465.db2.gz IYLXHIJHDNKDQD-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H]1C1([NH3+])CCCC1 257958759 573160453 /nfs/dbraw/zinc/16/04/53/573160453.db2.gz JCXRVGLBDRHDLZ-NSHDSACASA-N 2 0 196.338 2.131 10 0 AEAERP CC(C)C[NH2+][C@H](C)CC[NH+]1CCCC1 308507491 573160873 /nfs/dbraw/zinc/16/08/73/573160873.db2.gz JIUMVJSEIUBPEX-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H]1C1([NH3+])CCCC1 257958756 573161702 /nfs/dbraw/zinc/16/17/02/573161702.db2.gz JCXRVGLBDRHDLZ-LLVKDONJSA-N 2 0 196.338 2.131 10 0 AEAERP C[NH+](C)[C@H]1CCC[C@@H](C(C)(C)C[NH3+])C1 238298315 573162665 /nfs/dbraw/zinc/16/26/65/573162665.db2.gz RMOLQKHIEXCHPT-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 259348799 573163316 /nfs/dbraw/zinc/16/33/16/573163316.db2.gz FCYVSHWSQVGYST-UHFFFAOYSA-N 2 0 198.354 2.092 10 0 AEAERP Cc1ccsc1[C@H]([NH3+])CC(C)(C)[NH3+] 259351346 573165325 /nfs/dbraw/zinc/16/53/25/573165325.db2.gz LYZURNNKRWPJTQ-MRVPVSSYSA-N 2 0 198.335 2.184 10 0 AEAERP CCC(CC)(CC)[NH2+]C[C@H]1C[C@H]1C[NH3+] 715132125 573165481 /nfs/dbraw/zinc/16/54/81/573165481.db2.gz JTVYFLOHEMZNCH-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH3+])c1c[nH]c(CCC(C)(C)C)n1 308511543 573165712 /nfs/dbraw/zinc/16/57/12/573165712.db2.gz CJIADBSCMXHLDF-QMMMGPOBSA-N 2 0 195.310 2.408 10 0 AEAERP C[C@@H]([NH3+])c1c[nH]c(CCC(C)(C)C)n1 308511541 573165916 /nfs/dbraw/zinc/16/59/16/573165916.db2.gz CJIADBSCMXHLDF-MRVPVSSYSA-N 2 0 195.310 2.408 10 0 AEAERP Cc1ccsc1[C@@H]([NH3+])CC(C)(C)[NH3+] 259351349 573167302 /nfs/dbraw/zinc/16/73/02/573167302.db2.gz LYZURNNKRWPJTQ-QMMMGPOBSA-N 2 0 198.335 2.184 10 0 AEAERP C[NH2+]C[C@H]1CC[N@H+](C(C)(C)C)C1(C)C 259351257 573167349 /nfs/dbraw/zinc/16/73/49/573167349.db2.gz JSHQJMIFNYHJSM-SNVBAGLBSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1[C@H](C[NH3+])CCCC[N@@H+]1C(C)C 238298372 573170204 /nfs/dbraw/zinc/17/02/04/573170204.db2.gz KYHLOLPORPKVBQ-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC1(C[NH2+]C[C@@H](C)C[NH2+]C)CC1 232949882 573172186 /nfs/dbraw/zinc/17/21/86/573172186.db2.gz DMMNJADHUOBPEA-NSHDSACASA-N 2 0 198.354 2.012 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@](C)(CC)[C@@H](C)N 308508621 573173038 /nfs/dbraw/zinc/17/30/38/573173038.db2.gz BADNRLLUKZAORN-IJLUTSLNSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@@H]([NH3+])C[C@H](c1cccs1)[NH+](C)C 259353451 573173217 /nfs/dbraw/zinc/17/32/17/573173217.db2.gz FQMGDIRGSWSJSV-RKDXNWHRSA-N 2 0 198.335 2.088 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@](C)(CC)[C@@H](C)N 308508624 573173878 /nfs/dbraw/zinc/17/38/78/573173878.db2.gz BADNRLLUKZAORN-UTUOFQBUSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@@H](C[NH3+])[C@@H](C1CCCCC1)[NH+](C)C 259354037 573174119 /nfs/dbraw/zinc/17/41/19/573174119.db2.gz FSCQJSVWAXFEAC-JQWIXIFHSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[NH3+])[C@H](C1CCCCC1)[NH+](C)C 259354031 573174215 /nfs/dbraw/zinc/17/42/15/573174215.db2.gz FSCQJSVWAXFEAC-CMPLNLGQSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 233339003 573174318 /nfs/dbraw/zinc/17/43/18/573174318.db2.gz APOPIXUWOHPGDT-SRVKXCTJSA-N 2 0 198.354 2.425 10 0 AEAERP CC[N@H+](C1CCC1)C1CCC([NH3+])CC1 85870323 573175051 /nfs/dbraw/zinc/17/50/51/573175051.db2.gz NGRHESRQTCSVPS-UHFFFAOYSA-N 2 0 196.338 2.131 10 0 AEAERP C[C@H]([NH3+])C[C@@H](c1cccs1)[NH+](C)C 259353443 573177288 /nfs/dbraw/zinc/17/72/88/573177288.db2.gz FQMGDIRGSWSJSV-IUCAKERBSA-N 2 0 198.335 2.088 10 0 AEAERP C[C@H]([NH3+])C[C@H](c1cccs1)[NH+](C)C 259353433 573175476 /nfs/dbraw/zinc/17/54/76/573175476.db2.gz FQMGDIRGSWSJSV-DTWKUNHWSA-N 2 0 198.335 2.088 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](c1cccs1)[NH+](C)C 259353421 573175728 /nfs/dbraw/zinc/17/57/28/573175728.db2.gz FQMGDIRGSWSJSV-BDAKNGLRSA-N 2 0 198.335 2.088 10 0 AEAERP CC(C)=CC[N@@H+](C)C1CCC([NH3+])CC1 85869750 573176273 /nfs/dbraw/zinc/17/62/73/573176273.db2.gz PJFDEJRDIPCBQR-UHFFFAOYSA-N 2 0 196.338 2.154 10 0 AEAERP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1CC1 308509982 573176347 /nfs/dbraw/zinc/17/63/47/573176347.db2.gz KMHUUQLQXBJNHJ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H](C[NH3+])[C@@H](C1CCCCC1)[NH+](C)C 259354045 573176413 /nfs/dbraw/zinc/17/64/13/573176413.db2.gz FSCQJSVWAXFEAC-PWSUYJOCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)CC[C@H](C)[NH2+]CC1CC1 308509983 573176707 /nfs/dbraw/zinc/17/67/07/573176707.db2.gz KMHUUQLQXBJNHJ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](CC[NH3+])CCC[NH+]1CC=CC1 308509832 573177141 /nfs/dbraw/zinc/17/71/41/573177141.db2.gz ITPDMJOVLOJDET-GFCCVEGCSA-N 2 0 196.338 2.013 10 0 AEAERP CC(C)(CC[NH3+])C[N@@H+]1CCCC1(C)C 308509708 573177927 /nfs/dbraw/zinc/17/79/27/573177927.db2.gz BKEUMHLZUFCPCZ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]C1CCC([N@H+](C)C2CCC2)CC1 85873148 573178672 /nfs/dbraw/zinc/17/86/72/573178672.db2.gz AWOVBWQGSNOTLW-UHFFFAOYSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@H](CC[NH3+])CCC[NH+]1CC=CC1 308509833 573178702 /nfs/dbraw/zinc/17/87/02/573178702.db2.gz ITPDMJOVLOJDET-LBPRGKRZSA-N 2 0 196.338 2.013 10 0 AEAERP CC(C)([NH3+])CC[NH+]1CCC(C)(C)CC1 82773376 573181094 /nfs/dbraw/zinc/18/10/94/573181094.db2.gz DXAGCRNELJZCGW-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)([NH3+])CC[NH+]1CCCCCCC1 82772866 573182210 /nfs/dbraw/zinc/18/22/10/573182210.db2.gz JRWPTKRSQIMWOG-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP C[C@H](C[NH3+])[C@H](C1CCCCC1)[NH+](C)C 259356983 573182364 /nfs/dbraw/zinc/18/23/64/573182364.db2.gz FSCQJSVWAXFEAC-ZYHUDNBSSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1C[C@@H](C)C[NH+](CCC(C)(C)[NH3+])C1 82772852 573185632 /nfs/dbraw/zinc/18/56/32/573185632.db2.gz IQABKYVSIGWHAM-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[C@H](C)C[NH+](CCC(C)(C)[NH3+])C1 82772851 573185739 /nfs/dbraw/zinc/18/57/39/573185739.db2.gz IQABKYVSIGWHAM-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC(C)C)[C@@H]1CC[C@@H]([NH3+])C1 308514821 573185844 /nfs/dbraw/zinc/18/58/44/573185844.db2.gz UNZNWNSNBKKVQZ-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259363242 573187180 /nfs/dbraw/zinc/18/71/80/573187180.db2.gz UPXGDTRLHAHHKR-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@@H+]1CCC=C(CC[C@@H](C)[NH2+]C)C1 257962801 573187365 /nfs/dbraw/zinc/18/73/65/573187365.db2.gz FYUHLCGZBOLBJX-LLVKDONJSA-N 2 0 196.338 2.027 10 0 AEAERP C[NH2+][C@H](C[C@H](C)C[NH3+])C1CCCCC1 259362053 573188132 /nfs/dbraw/zinc/18/81/32/573188132.db2.gz LAYHKWOJNIGMNC-CMPLNLGQSA-N 2 0 198.354 2.140 10 0 AEAERP CC[N@@H+]1CCC=C(CC[C@H](C)[NH2+]C)C1 257962802 573187726 /nfs/dbraw/zinc/18/77/26/573187726.db2.gz FYUHLCGZBOLBJX-NSHDSACASA-N 2 0 196.338 2.027 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC(C)(C)[C@H]([NH2+]C)C1 259363093 573187776 /nfs/dbraw/zinc/18/77/76/573187776.db2.gz UMVGKFUHBGSETG-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1CCC[C@@H](C)[N@@H+]1CCC(C)(C)[NH3+] 82777063 573188559 /nfs/dbraw/zinc/18/85/59/573188559.db2.gz SRSMGJRIXVDDFJ-PHIMTYICSA-N 2 0 198.354 2.377 10 0 AEAERP C[NH2+][C@@H](C[C@@H](C)C[NH3+])C1CCCCC1 259362057 573189612 /nfs/dbraw/zinc/18/96/12/573189612.db2.gz LAYHKWOJNIGMNC-PWSUYJOCSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[N@H+](CC(C)C)[C@@H]1CC[C@H]([NH3+])C1 308514818 573189669 /nfs/dbraw/zinc/18/96/69/573189669.db2.gz UNZNWNSNBKKVQZ-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCC(C)(C)[NH3+] 82777065 573189713 /nfs/dbraw/zinc/18/97/13/573189713.db2.gz SRSMGJRIXVDDFJ-GHMZBOCLSA-N 2 0 198.354 2.377 10 0 AEAERP C[NH2+][C@@H](C[C@H](C)C[NH3+])C1CCCCC1 259362056 573190150 /nfs/dbraw/zinc/19/01/50/573190150.db2.gz LAYHKWOJNIGMNC-JQWIXIFHSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])C1 308514819 573190279 /nfs/dbraw/zinc/19/02/79/573190279.db2.gz UNZNWNSNBKKVQZ-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC(C)(C)[C@H]([NH2+]C)C1 259363097 573190326 /nfs/dbraw/zinc/19/03/26/573190326.db2.gz UMVGKFUHBGSETG-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1CCC[C@H](C)[NH+]1CCC(C)(C)[NH3+] 82777064 573190428 /nfs/dbraw/zinc/19/04/28/573190428.db2.gz SRSMGJRIXVDDFJ-QWRGUYRKSA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)(C)C[NH2+]CC[C@H]1CCCC[NH2+]1 259037328 573190934 /nfs/dbraw/zinc/19/09/34/573190934.db2.gz PEHDZZZBDWZCIO-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)(C)C[NH2+]CC[C@@H]1CCCC[NH2+]1 259037330 573192223 /nfs/dbraw/zinc/19/22/23/573192223.db2.gz PEHDZZZBDWZCIO-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259363239 573192483 /nfs/dbraw/zinc/19/24/83/573192483.db2.gz UPXGDTRLHAHHKR-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C1(C)CCCC1 82785572 573193974 /nfs/dbraw/zinc/19/39/74/573193974.db2.gz GXFCUBAZHPWCAA-GHMZBOCLSA-N 2 0 196.338 2.131 10 0 AEAERP CC1([NH+]2CCC[NH2+]CCC2)CCCC1 82785669 573193385 /nfs/dbraw/zinc/19/33/85/573193385.db2.gz NNQNMQHOBQOFEN-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@@H]([NH3+])C[C@H](C1CCCCC1)[NH+](C)C 259366688 573193600 /nfs/dbraw/zinc/19/36/00/573193600.db2.gz GBVVCNXTBCCSJU-ZYHUDNBSSA-N 2 0 198.354 2.234 10 0 AEAERP CC1([NH2+]C[C@]2(C)CCC[NH2+]2)CCCC1 82785830 573193871 /nfs/dbraw/zinc/19/38/71/573193871.db2.gz AFLBLIUNZMZMDE-LBPRGKRZSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1(C)CCCC1 82785575 573194718 /nfs/dbraw/zinc/19/47/18/573194718.db2.gz GXFCUBAZHPWCAA-QWRGUYRKSA-N 2 0 196.338 2.131 10 0 AEAERP C[NH2+][C@H](C1CCCCC1)C(C)(C)C[NH3+] 259366895 573197630 /nfs/dbraw/zinc/19/76/30/573197630.db2.gz LHXMGMXHXJEHCO-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+][C@@H](C1CCCCC1)C(C)(C)C[NH3+] 259366899 573197824 /nfs/dbraw/zinc/19/78/24/573197824.db2.gz LHXMGMXHXJEHCO-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C1CCCCC1)[NH+](C)C 259366683 573198030 /nfs/dbraw/zinc/19/80/30/573198030.db2.gz GBVVCNXTBCCSJU-PWSUYJOCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)C[NH2+]C[C@@H]([NH3+])CC1CC1 308517237 573201158 /nfs/dbraw/zinc/20/11/58/573201158.db2.gz FRWUDXLEQVPCFQ-LBPRGKRZSA-N 2 0 198.354 2.140 10 0 AEAERP CCC(CC)C[NH2+]C[C@H]([NH3+])CC1CC1 308517236 573201254 /nfs/dbraw/zinc/20/12/54/573201254.db2.gz FRWUDXLEQVPCFQ-GFCCVEGCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[NH+]1CCCCCCC1 82801127 573201741 /nfs/dbraw/zinc/20/17/41/573201741.db2.gz MAMWEENYUIUVRH-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[NH+]1CCC(C[C@H](C)C[NH3+])CC1 259368103 573202139 /nfs/dbraw/zinc/20/21/39/573202139.db2.gz GGAQSMRTEMSBPM-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[NH+]1CCC(C)(C)CC1 82802255 573202284 /nfs/dbraw/zinc/20/22/84/573202284.db2.gz VZQSJODCPMKCSS-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH+]1CCCCCCC1 82801128 573204297 /nfs/dbraw/zinc/20/42/97/573204297.db2.gz MAMWEENYUIUVRH-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[NH+](CCC)[C@H](C)C[C@@H](C)[NH3+] 82800997 573203755 /nfs/dbraw/zinc/20/37/55/573203755.db2.gz WBWGLBQCGQQZNB-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[NH+]1CCCCCCC1 82801129 573204031 /nfs/dbraw/zinc/20/40/31/573204031.db2.gz MAMWEENYUIUVRH-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH+]1CCC(C)(C)CC1 82802254 573206084 /nfs/dbraw/zinc/20/60/84/573206084.db2.gz VZQSJODCPMKCSS-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[N@@H+]1CCCC(C)(C)C1 82803346 573206349 /nfs/dbraw/zinc/20/63/49/573206349.db2.gz SVMIXKIBIVHWBD-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+]1CCCC[C@@H]1C[C@H](C)C[NH3+] 259371725 573206814 /nfs/dbraw/zinc/20/68/14/573206814.db2.gz GPCWGRZEMMILSG-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+]1CCCC[C@H]1C[C@H](C)C[NH3+] 259371728 573206843 /nfs/dbraw/zinc/20/68/43/573206843.db2.gz GPCWGRZEMMILSG-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+]1CCCC[C@H]1C[C@@H](C)C[NH3+] 259371722 573206883 /nfs/dbraw/zinc/20/68/83/573206883.db2.gz GPCWGRZEMMILSG-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+]1CCCC[C@@H]1C[C@@H](C)C[NH3+] 259371732 573206924 /nfs/dbraw/zinc/20/69/24/573206924.db2.gz GPCWGRZEMMILSG-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+](C)[C@H]1[C@@H](C)C[C@@H](C)C[C@H]1N 82829554 573215895 /nfs/dbraw/zinc/21/58/95/573215895.db2.gz PCOUXINTMWNQCH-KXNHARMFSA-N 2 0 198.354 2.089 10 0 AEAERP CCC[NH2+]C[C@@H]([NH3+])CC1CCCCC1 308520799 573216652 /nfs/dbraw/zinc/21/66/52/573216652.db2.gz HOAUFOXVYXHFKY-LBPRGKRZSA-N 2 0 198.354 2.284 10 0 AEAERP CCCCCC[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 40740142 573216119 /nfs/dbraw/zinc/21/61/19/573216119.db2.gz PHKXPPFHLWMQTQ-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@H+](CC(C)C)[C@@H](CC)C(N)=[NH2+] 308519423 573221149 /nfs/dbraw/zinc/22/11/49/573221149.db2.gz WUWOMANZLIZVHV-JTQLQIEISA-N 2 0 199.342 2.069 10 0 AEAERP CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@](C)(C[NH3+])C1 308520734 573228140 /nfs/dbraw/zinc/22/81/40/573228140.db2.gz XRTRNEJRKMILTO-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)[N@@H+]1C[C@H](C)[C@@](C)(C[NH3+])C1 308520733 573228506 /nfs/dbraw/zinc/22/85/06/573228506.db2.gz XRTRNEJRKMILTO-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)(C[NH3+])C[C@H]([NH3+])c1ccccc1 259386905 573230598 /nfs/dbraw/zinc/23/05/98/573230598.db2.gz NLYZVNXOQCYDDQ-NSHDSACASA-N 2 0 192.306 2.061 10 0 AEAERP CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCC[NH2+]1 308525625 573231166 /nfs/dbraw/zinc/23/11/66/573231166.db2.gz IXFYGYWVCNVTFU-VXGBXAGGSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[C@@H](C)[NH2+]C[C@]1(C)CCCC[NH2+]1 308525617 573231210 /nfs/dbraw/zinc/23/12/10/573231210.db2.gz IXFYGYWVCNVTFU-NEPJUHHUSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@@]1(C)CCCC[NH2+]1 308525621 573233448 /nfs/dbraw/zinc/23/34/48/573233448.db2.gz IXFYGYWVCNVTFU-NWDGAFQWSA-N 2 0 198.354 2.297 10 0 AEAERP C[C@@H]1CC[C@H]1[NH2+]CC[C@H]([NH3+])C(C)(C)C 308527600 573238222 /nfs/dbraw/zinc/23/82/22/573238222.db2.gz JRQDUUPFVAHTOX-MXWKQRLJSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]([NH3+])C(C)(C)C 308527601 573238557 /nfs/dbraw/zinc/23/85/57/573238557.db2.gz JRQDUUPFVAHTOX-OUAUKWLOSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H](C)C1([NH3+])CCC([NH+](C)C)CC1 715264003 573240341 /nfs/dbraw/zinc/24/03/41/573240341.db2.gz MHRYGKUZHHAHHE-VOMCLLRMSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H]([NH+](C)C)C1 129150463 573241645 /nfs/dbraw/zinc/24/16/45/573241645.db2.gz WACXLMBQIPZNRS-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)C[N@H+](C)[C@@H](C)CC(N)=[NH2+] 129158827 573241761 /nfs/dbraw/zinc/24/17/61/573241761.db2.gz MZDVUXXCNLLEHX-VIFPVBQESA-N 2 0 199.342 2.069 10 0 AEAERP CC(C)CC[NH2+]CC[C@H]1CCCC[NH2+]1 258605517 573243924 /nfs/dbraw/zinc/24/39/24/573243924.db2.gz ANVNVJUWSBMFBI-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP CC[NH+](CC)CC[C@H]([NH3+])C=C(C)C 86059085 573245028 /nfs/dbraw/zinc/24/50/28/573245028.db2.gz WRMRFEXTINEXRZ-NSHDSACASA-N 2 0 184.327 2.012 10 0 AEAERP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CCC1 308523060 573245182 /nfs/dbraw/zinc/24/51/82/573245182.db2.gz PSXJUFBBLJNQHM-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])CC1 235554798 573248042 /nfs/dbraw/zinc/24/80/42/573248042.db2.gz FKLUXFZSUCKETE-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CCC1(CC)C[NH+]([C@@H](C)CCC[NH3+])C1 308523551 573248943 /nfs/dbraw/zinc/24/89/43/573248943.db2.gz ZMXRWNCIAOBKMY-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749060 573253675 /nfs/dbraw/zinc/25/36/75/573253675.db2.gz FXYVNBAECWVEFP-CLYYMRHHSA-N 2 0 196.338 2.129 10 0 AEAERP C[C@H]([N@@H+](C)CC[C@@H](C)[NH3+])C(C)(C)C 42747238 573253126 /nfs/dbraw/zinc/25/31/26/573253126.db2.gz QHBMPSCAYFVZOJ-ZJUUUORDSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)([NH3+])CCC[NH2+][C@H]1CCC1(C)C 308529372 573253336 /nfs/dbraw/zinc/25/33/36/573253336.db2.gz KFAIFDXYVNTXIG-JTQLQIEISA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]1CC[C@@H]1[NH2+]CCC[NH2+]C(C)(C)C 308529443 573254481 /nfs/dbraw/zinc/25/44/81/573254481.db2.gz KIXUFFKVAAJWGF-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)c1ccc([C@H]([NH3+])CC[NH3+])cc1 259394708 573254547 /nfs/dbraw/zinc/25/45/47/573254547.db2.gz NTSFJPAHLHDWKE-GFCCVEGCSA-N 2 0 192.306 2.159 10 0 AEAERP CCC[NH2+]CCC[NH2+]CC1(CC)CC1 308529428 573254584 /nfs/dbraw/zinc/25/45/84/573254584.db2.gz KIHHREAWFZXMJE-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP C[C@H]1CC[C@H]1[NH2+]CCC[NH2+]C(C)(C)C 308529445 573255099 /nfs/dbraw/zinc/25/50/99/573255099.db2.gz KIXUFFKVAAJWGF-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]([N@H+](C)CCCC[NH3+])C(C)(C)C 42739342 573256441 /nfs/dbraw/zinc/25/64/41/573256441.db2.gz ABLXKQBNCXCINS-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@H](C[NH3+])[C@H]([NH3+])c1sccc1C 259394055 573256508 /nfs/dbraw/zinc/25/65/08/573256508.db2.gz LNUIOASRPDLLJE-BDAKNGLRSA-N 2 0 198.335 2.041 10 0 AEAERP CCCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 50889022 573259778 /nfs/dbraw/zinc/25/97/78/573259778.db2.gz BVFZNABECZYVRM-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1C[C@@H]([NH2+]C)CC1(C)C 259397301 573259779 /nfs/dbraw/zinc/25/97/79/573259779.db2.gz MBKNDZTUQABTIS-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](C)CC1CCC([NH2+]C)CC1 259058930 573260949 /nfs/dbraw/zinc/26/09/49/573260949.db2.gz QYFJFFYJZORGRI-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C[NH3+])[C@@H]([NH3+])c1sccc1C 259394062 573260430 /nfs/dbraw/zinc/26/04/30/573260430.db2.gz LNUIOASRPDLLJE-RKDXNWHRSA-N 2 0 198.335 2.041 10 0 AEAERP CCCC[C@H](C)[NH+]1CCC([NH2+]C)CC1 50889002 573260128 /nfs/dbraw/zinc/26/01/28/573260128.db2.gz FQMLMEGXNXIVMX-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C[NH3+])[C@H]([NH3+])c1sccc1C 259394060 573260142 /nfs/dbraw/zinc/26/01/42/573260142.db2.gz LNUIOASRPDLLJE-IUCAKERBSA-N 2 0 198.335 2.041 10 0 AEAERP CC(C)[C@@H]([NH3+])CC[NH2+]C1CCCCC1 129219095 573260416 /nfs/dbraw/zinc/26/04/16/573260416.db2.gz VQVICBKZTCHUCF-LBPRGKRZSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[N@H+](CC)CC[C@H]([NH3+])C(C)C 129210125 573261822 /nfs/dbraw/zinc/26/18/22/573261822.db2.gz NFCXSISZYCWXLE-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H](C[NH3+])[C@@H]([NH3+])c1sccc1C 259394057 573262082 /nfs/dbraw/zinc/26/20/82/573262082.db2.gz LNUIOASRPDLLJE-DTWKUNHWSA-N 2 0 198.335 2.041 10 0 AEAERP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CC[C@H]1C 308531461 573263663 /nfs/dbraw/zinc/26/36/63/573263663.db2.gz KYZKLJOZYSDASM-IJLUTSLNSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)(C)C(C)(C)C[NH2+]C1CC([NH3+])C1 308531335 573263767 /nfs/dbraw/zinc/26/37/67/573263767.db2.gz ASJWYYDHXOOMEP-UHFFFAOYSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CC=CC1 308531325 573264236 /nfs/dbraw/zinc/26/42/36/573264236.db2.gz ARPYDFHKNYFNDO-GFCCVEGCSA-N 2 0 196.338 2.025 10 0 AEAERP C[NH+]1CCC(CC(C)(C)CC[NH3+])CC1 259060453 573265436 /nfs/dbraw/zinc/26/54/36/573265436.db2.gz FVYUONRXHIEDKB-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](CC[C@@H]([NH3+])C(C)C)CC1CC1 129276015 573267772 /nfs/dbraw/zinc/26/77/72/573267772.db2.gz PVIYXCYRHKQRGR-GFCCVEGCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[NH+](C(C)C)[C@]1(C)CCCNC1 642885246 573268236 /nfs/dbraw/zinc/26/82/36/573268236.db2.gz ASOVEQRCZRPHJN-GFCCVEGCSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@@H](CCC[NH+](C)C)[NH2+]C(C)(C)C 308337657 573270107 /nfs/dbraw/zinc/27/01/07/573270107.db2.gz OXDUPVVBQJHISI-JTQLQIEISA-N 2 0 186.343 2.105 10 0 AEAERP CC(C)C[C@H]([NH3+])[C@H](C)[NH+]1CCCCC1 74236648 573269314 /nfs/dbraw/zinc/26/93/14/573269314.db2.gz AEHLWLGVZSBUID-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40750340 573269711 /nfs/dbraw/zinc/26/97/11/573269711.db2.gz HYQFENNVLKLENE-YOGCLGLASA-N 2 0 196.338 2.131 10 0 AEAERP CCC[C@@H](C[NH2+]C)N1CCC(C)(C)C1 213145106 573275216 /nfs/dbraw/zinc/27/52/16/573275216.db2.gz SMOINAKBPZWJQG-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C[NH2+]C)[C@H]([NH2+]C)C1CCCC1 259065704 573278233 /nfs/dbraw/zinc/27/82/33/573278233.db2.gz BOAYRZRLCCQBFO-JQWIXIFHSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[N@@H+]1CCC(C)(C)[C@@H](CC[NH3+])C1 259401559 573280035 /nfs/dbraw/zinc/28/00/35/573280035.db2.gz XSDYVLNOXWIZHE-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP [NH3+][C@@H]1CCCC[C@@H]1C[NH2+]C1CCCC1 82922271 573280530 /nfs/dbraw/zinc/28/05/30/573280530.db2.gz OERNCUJCRBDSHI-ZYHUDNBSSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H](C[NH2+]C)[C@H]([NH2+]C)C1CCCC1 259065707 573281368 /nfs/dbraw/zinc/28/13/68/573281368.db2.gz BOAYRZRLCCQBFO-PWSUYJOCSA-N 2 0 198.354 2.010 10 0 AEAERP CC1([NH2+]C[C@H]2CCC[C@H]2[NH3+])CCCC1 82922611 573282239 /nfs/dbraw/zinc/28/22/39/573282239.db2.gz IGIZGDGWQPYHBO-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+][C@@H]1CCCC[C@H]1C[NH2+]C1CCCC1 82922270 573282288 /nfs/dbraw/zinc/28/22/88/573282288.db2.gz OERNCUJCRBDSHI-CMPLNLGQSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)(C)C[C@@H]([NH3+])CC[NH+]1CC=CC1 308538063 573282509 /nfs/dbraw/zinc/28/25/09/573282509.db2.gz GYCJTQFXIAWITQ-NSHDSACASA-N 2 0 196.338 2.012 10 0 AEAERP C[C@H]([NH3+])CC[C@@H]([NH+](C)C)C(C)(C)C 259402642 573282598 /nfs/dbraw/zinc/28/25/98/573282598.db2.gz HJVSUGYERPOKLY-VHSXEESVSA-N 2 0 186.343 2.090 10 0 AEAERP [NH3+][C@H]1CCCC[C@@H]1C[NH2+]C1CCCC1 82922269 573282629 /nfs/dbraw/zinc/28/26/29/573282629.db2.gz OERNCUJCRBDSHI-PWSUYJOCSA-N 2 0 196.338 2.036 10 0 AEAERP CC1([NH2+]C[C@@H]2CCC[C@H]2[NH3+])CCCC1 82922610 573282654 /nfs/dbraw/zinc/28/26/54/573282654.db2.gz IGIZGDGWQPYHBO-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)[C@@H]([NH3+])CC[NH2+][C@@H]1CCC1(C)C 308539696 573283312 /nfs/dbraw/zinc/28/33/12/573283312.db2.gz NKLIAGPMSMJVAW-WDEREUQCSA-N 2 0 198.354 2.138 10 0 AEAERP [NH3+][C@H]1CCC[C@H]1C[NH2+]C1CCCCC1 82922201 573283408 /nfs/dbraw/zinc/28/34/08/573283408.db2.gz UBFZCHBPAXMWGU-JQWIXIFHSA-N 2 0 196.338 2.036 10 0 AEAERP CC[NH2+][C@H](C)CC[NH2+][C@H]1CC[C@H](C)C1 129419394 573284158 /nfs/dbraw/zinc/28/41/58/573284158.db2.gz SINDLKGQRMSRKK-TUAOUCFPSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H]([NH3+])CC[C@@H]([NH+](C)C)C(C)(C)C 259402633 573285635 /nfs/dbraw/zinc/28/56/35/573285635.db2.gz HJVSUGYERPOKLY-NXEZZACHSA-N 2 0 186.343 2.090 10 0 AEAERP CCCC[N@H+](C)CC1(C[NH2+]C)CCC1 258621054 573285955 /nfs/dbraw/zinc/28/59/55/573285955.db2.gz JONJYNBPORSMOA-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@@](C)([NH3+])C[NH2+][C@H]1CCC1(C)C 308541451 573286696 /nfs/dbraw/zinc/28/66/96/573286696.db2.gz OCHGZFDKAGNYCX-CMPLNLGQSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@@H](C)[NH2+]CC[NH2+]C(C)C 50889967 573287099 /nfs/dbraw/zinc/28/70/99/573287099.db2.gz FPZNZBSRNJTLMV-LLVKDONJSA-N 2 0 186.343 2.153 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H](C)C1 129430222 573287100 /nfs/dbraw/zinc/28/71/00/573287100.db2.gz KOTVXORBQRNAAI-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP [NH3+]C1(CCC2CC[NH2+]CC2)CCCC1 257994711 573287110 /nfs/dbraw/zinc/28/71/10/573287110.db2.gz LUCVGJOTJPDUBL-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP C[C@H]([NH3+])CC[C@H]([NH+](C)C)C(C)(C)C 259402639 573287414 /nfs/dbraw/zinc/28/74/14/573287414.db2.gz HJVSUGYERPOKLY-UWVGGRQHSA-N 2 0 186.343 2.090 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@](C)([NH3+])C1CC1 50889969 573287542 /nfs/dbraw/zinc/28/75/42/573287542.db2.gz SYPPXSPCSKNYBA-PWSUYJOCSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@](C)([NH3+])C1CC1 50889970 573287637 /nfs/dbraw/zinc/28/76/37/573287637.db2.gz SYPPXSPCSKNYBA-JQWIXIFHSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@H](C)[NH2+]CC[NH2+]C(C)C 50889968 573289153 /nfs/dbraw/zinc/28/91/53/573289153.db2.gz FPZNZBSRNJTLMV-NSHDSACASA-N 2 0 186.343 2.153 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@](C)([NH3+])C1CC1 50889971 573289245 /nfs/dbraw/zinc/28/92/45/573289245.db2.gz SYPPXSPCSKNYBA-ZYHUDNBSSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]1 50889994 573290975 /nfs/dbraw/zinc/29/09/75/573290975.db2.gz CRLWKZSDXUJJIO-NEPJUHHUSA-N 2 0 198.354 2.297 10 0 AEAERP C[NH2+][C@@H]1CCC(C)(C)N(C(C)(C)C)C1 259404908 573291121 /nfs/dbraw/zinc/29/11/21/573291121.db2.gz MLTPYPCHMWOOQT-SNVBAGLBSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@H]1CCC(C)(C)N(C(C)(C)C)C1 259404906 573291176 /nfs/dbraw/zinc/29/11/76/573291176.db2.gz MLTPYPCHMWOOQT-JTQLQIEISA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@@](C)([NH3+])C[NH2+][C@@H]1CCC1(C)C 308541454 573291206 /nfs/dbraw/zinc/29/12/06/573291206.db2.gz OCHGZFDKAGNYCX-ZYHUDNBSSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@](C)([NH3+])C[NH2+][C@H]1CCC1(C)C 308541452 573291358 /nfs/dbraw/zinc/29/13/58/573291358.db2.gz OCHGZFDKAGNYCX-JQWIXIFHSA-N 2 0 198.354 2.282 10 0 AEAERP C[NH2+][C@H](CCC(C)(C)[NH3+])CC(C)C 259405958 573292312 /nfs/dbraw/zinc/29/23/12/573292312.db2.gz MVJUJYWRMHQKAS-SNVBAGLBSA-N 2 0 186.343 2.138 10 0 AEAERP CCCC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 50889996 573292788 /nfs/dbraw/zinc/29/27/88/573292788.db2.gz CRLWKZSDXUJJIO-VXGBXAGGSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]([NH3+])CCC 50890049 573293841 /nfs/dbraw/zinc/29/38/41/573293841.db2.gz DEQWBBAXQXKDFT-QWRGUYRKSA-N 2 0 186.343 2.282 10 0 AEAERP C[NH2+][C@@H](CCC(C)(C)[NH3+])CC(C)C 259405957 573293002 /nfs/dbraw/zinc/29/30/02/573293002.db2.gz MVJUJYWRMHQKAS-JTQLQIEISA-N 2 0 186.343 2.138 10 0 AEAERP CCCC[C@H](C)[NH2+]CCCC[NH2+]C 50890061 573293133 /nfs/dbraw/zinc/29/31/33/573293133.db2.gz UQKBMYCCEHDQNC-NSHDSACASA-N 2 0 186.343 2.154 10 0 AEAERP CCCC[C@@H](C)[NH2+]CCCC[NH2+]C 50890060 573293180 /nfs/dbraw/zinc/29/31/80/573293180.db2.gz UQKBMYCCEHDQNC-LLVKDONJSA-N 2 0 186.343 2.154 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])CCC 50890048 573293232 /nfs/dbraw/zinc/29/32/32/573293232.db2.gz DEQWBBAXQXKDFT-MNOVXSKESA-N 2 0 186.343 2.282 10 0 AEAERP CCCC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 50889997 573295033 /nfs/dbraw/zinc/29/50/33/573295033.db2.gz CRLWKZSDXUJJIO-NWDGAFQWSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@@H](C)[NH2+]CC[NH2+]CC1CC1 50890064 573295307 /nfs/dbraw/zinc/29/53/07/573295307.db2.gz GVSXTEYVEVKCIM-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@H](C)[NH+]1CCC[NH2+]CCC1 50890873 573297537 /nfs/dbraw/zinc/29/75/37/573297537.db2.gz UTEYNNSOOMBEEB-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@H]1CCCC[N@@H+]1C/C=C\C[NH3+] 308342519 573299608 /nfs/dbraw/zinc/29/96/08/573299608.db2.gz IYOPQOLXBDXJAU-RNZFLTOJSA-N 2 0 196.338 2.156 10 0 AEAERP CC[C@H](C)[C@@H]1C[N@@H+](C(C)C)CCC[NH2+]1 82941175 573299893 /nfs/dbraw/zinc/29/98/93/573299893.db2.gz HSYIJBRJSNJJHM-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[C@@H](C)[NH+]1CCC[NH2+]CCC1 50890872 573299919 /nfs/dbraw/zinc/29/99/19/573299919.db2.gz UTEYNNSOOMBEEB-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[N@H+](CC(C)(C)C)[C@@H](C)CC(N)=[NH2+] 308547626 573299940 /nfs/dbraw/zinc/29/99/40/573299940.db2.gz WEUVTCXQEYAEIE-VIFPVBQESA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H](C)[C@H]1C[N@@H+](C(C)C)CCC[NH2+]1 82941178 573300059 /nfs/dbraw/zinc/30/00/59/573300059.db2.gz HSYIJBRJSNJJHM-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](CC(C)(C)C)[C@H](C)CC(N)=[NH2+] 308547625 573300733 /nfs/dbraw/zinc/30/07/33/573300733.db2.gz WEUVTCXQEYAEIE-SECBINFHSA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H](C)[N@@H+]1C[C@H](C[NH3+])CCC1(C)C 259409982 573301944 /nfs/dbraw/zinc/30/19/44/573301944.db2.gz MTWBLTGSSOILOY-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[N@@H+]1C[C@H](C[NH3+])CCC1(C)C 259409981 573304283 /nfs/dbraw/zinc/30/42/83/573304283.db2.gz MTWBLTGSSOILOY-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[C@H]1C[N@@H+](C(C)C)CCC[NH2+]1 82941177 573305593 /nfs/dbraw/zinc/30/55/93/573305593.db2.gz HSYIJBRJSNJJHM-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C)C[C@@H](C)[N@H+](C)CCC1CC1 393661143 573307165 /nfs/dbraw/zinc/30/71/65/573307165.db2.gz WOFRAIKWWCMDNM-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1C[N@H+](CC(C)C)[C@H](C)CCN1 82943340 573307982 /nfs/dbraw/zinc/30/79/82/573307982.db2.gz LQKTYXFSDYPNKW-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)CCC1CC1 393661144 573307443 /nfs/dbraw/zinc/30/74/43/573307443.db2.gz WOFRAIKWWCMDNM-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CC[N@@H+]1C[C@@H](C)NCC[C@@H]1C 82942489 573307500 /nfs/dbraw/zinc/30/75/00/573307500.db2.gz NUOULLWZBXIJOA-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]1CCNCC[N@@H+]1CCC(C)(C)C 82942913 573307651 /nfs/dbraw/zinc/30/76/51/573307651.db2.gz DPQGQIISEUMHBE-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@@H+]1C[C@H](C)NCC[C@@H]1C 82942492 573307963 /nfs/dbraw/zinc/30/79/63/573307963.db2.gz NUOULLWZBXIJOA-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C[NH2+]C)C[N@H+](C)C1CCCC1 259082435 573308835 /nfs/dbraw/zinc/30/88/35/573308835.db2.gz VHQBUILTUDVSFD-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C[NH2+]C)C[N@H+](C)C1CCCC1 259082432 573309192 /nfs/dbraw/zinc/30/91/92/573309192.db2.gz VHQBUILTUDVSFD-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@@H+]1C[C@@H](C)NCC[C@H]1C 82942488 573309547 /nfs/dbraw/zinc/30/95/47/573309547.db2.gz NUOULLWZBXIJOA-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CC[N@@H+]1C[C@H](C)NCC[C@H]1C 82942491 573309571 /nfs/dbraw/zinc/30/95/71/573309571.db2.gz NUOULLWZBXIJOA-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@@H+]1CC(C)(C)NCC[C@H]1C 82942971 573309596 /nfs/dbraw/zinc/30/95/96/573309596.db2.gz FSDYNLNDDWWDNV-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1C[C@@](C)(CC)NCC[C@@H]1C 82943611 573310477 /nfs/dbraw/zinc/31/04/77/573310477.db2.gz YNJHHQHBHSDHKR-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 82941771 573310765 /nfs/dbraw/zinc/31/07/65/573310765.db2.gz RPLHAIKAWXNQSP-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)C[N@@H+]1C[C@H](C)NCC[C@@H]1C 82942601 573310544 /nfs/dbraw/zinc/31/05/44/573310544.db2.gz BEEDRJMVHBQZAW-SRVKXCTJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 82941777 573310553 /nfs/dbraw/zinc/31/05/53/573310553.db2.gz MVHHKZCDTVNZEK-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[C@H]1C[N@H+](CC)[C@H](C)CC[NH2+]1 82942355 573310688 /nfs/dbraw/zinc/31/06/88/573310688.db2.gz SVAVMMCJSOOBME-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[C@@H]1C[N@H+](CC)[C@H](C)CC[NH2+]1 82942350 573310906 /nfs/dbraw/zinc/31/09/06/573310906.db2.gz SVAVMMCJSOOBME-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[N@@H+]1CC(C)(C)NCC[C@@H]1C 82942973 573310939 /nfs/dbraw/zinc/31/09/39/573310939.db2.gz FSDYNLNDDWWDNV-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]([NH3+])CCC[C@@H](C)C[NH+]1CC=CC1 308546704 573311010 /nfs/dbraw/zinc/31/10/10/573311010.db2.gz PNXVJWNVQPKNCN-VXGBXAGGSA-N 2 0 196.338 2.012 10 0 AEAERP CC[C@@H](C)C[C@](CC)(C[NH3+])[NH+]1CCC1 308547275 573311278 /nfs/dbraw/zinc/31/12/78/573311278.db2.gz QDIPYGAJLYLXMH-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 82941779 573311363 /nfs/dbraw/zinc/31/13/63/573311363.db2.gz MVHHKZCDTVNZEK-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1(C)C 259415239 573311638 /nfs/dbraw/zinc/31/16/38/573311638.db2.gz NBQNVGDNWNMIKH-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)C[C@@](CC)(C[NH3+])[NH+]1CCC1 308547274 573313984 /nfs/dbraw/zinc/31/39/84/573313984.db2.gz QDIPYGAJLYLXMH-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@]1(C)C[N@H+](C(C)C)[C@H](C)CCN1 82943605 573315231 /nfs/dbraw/zinc/31/52/31/573315231.db2.gz CFZZPNPSPQUYLB-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1(C)C 259415236 573316216 /nfs/dbraw/zinc/31/62/16/573316216.db2.gz NBQNVGDNWNMIKH-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CC[C@H]([NH2+]CCCC(C)(C)[NH3+])C1 129491719 573316585 /nfs/dbraw/zinc/31/65/85/573316585.db2.gz GWTQDJUUFLYMBK-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 393661901 573317318 /nfs/dbraw/zinc/31/73/18/573317318.db2.gz WCKMRMZRCFNDRV-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@](C)(C[NH3+])C[NH2+][C@@H]1CCC1(C)C 308551961 573317351 /nfs/dbraw/zinc/31/73/51/573317351.db2.gz SIOYMZURCPKCFI-ZYHUDNBSSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@](C)(C[NH3+])C[NH2+][C@H]1CCC1(C)C 308551953 573317472 /nfs/dbraw/zinc/31/74/72/573317472.db2.gz SIOYMZURCPKCFI-CMPLNLGQSA-N 2 0 198.354 2.140 10 0 AEAERP CC[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 308552150 573318146 /nfs/dbraw/zinc/31/81/46/573318146.db2.gz SMXQZWLPGOHJGQ-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@@H](CC[NH3+])CCC[NH+]1CCC1 308551932 573318358 /nfs/dbraw/zinc/31/83/58/573318358.db2.gz SICXMNBJKDKJRX-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1CC(C)(C)C 238350716 573318918 /nfs/dbraw/zinc/31/89/18/573318918.db2.gz HTVUDXAEHFCSPV-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@](C)(C[NH3+])C[NH2+][C@@H]1CCC1(C)C 308551958 573319388 /nfs/dbraw/zinc/31/93/88/573319388.db2.gz SIOYMZURCPKCFI-PWSUYJOCSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H](CC[NH3+])CCC[NH+]1CCC1 308551938 573319688 /nfs/dbraw/zinc/31/96/88/573319688.db2.gz SICXMNBJKDKJRX-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@](C)(C[NH3+])C[NH2+][C@H]1CCC1(C)C 308551955 573320421 /nfs/dbraw/zinc/32/04/21/573320421.db2.gz SIOYMZURCPKCFI-JQWIXIFHSA-N 2 0 198.354 2.140 10 0 AEAERP C[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)CC1(C)C 106876331 573320956 /nfs/dbraw/zinc/32/09/56/573320956.db2.gz KWOMVCBAPLKOFV-JTQLQIEISA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)CC[N@@H+]1CC[C@H]([NH3+])CC1(C)C 106876249 573321219 /nfs/dbraw/zinc/32/12/19/573321219.db2.gz QBPLJCPHCKXFQL-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@H]1C[N@@H+](C(C)(C)C)CCC1(C)C 259415814 573321763 /nfs/dbraw/zinc/32/17/63/573321763.db2.gz YZRDULRHDPOPSS-JTQLQIEISA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H]1C[N@@H+](C(C)(C)C)CCC1(C)C 259415817 573322218 /nfs/dbraw/zinc/32/22/18/573322218.db2.gz YZRDULRHDPOPSS-SNVBAGLBSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H](CC(C)(C)C[NH3+])C1CCCC1 259419718 573327659 /nfs/dbraw/zinc/32/76/59/573327659.db2.gz NKDFNAVZLXBZRV-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[N@@H+]1CC[C@@H](CC[NH3+])C1(C)C 259420090 573330786 /nfs/dbraw/zinc/33/07/86/573330786.db2.gz NJKVWPWLJDLSHB-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@]1(C[C@@H]2CCCC[NH2+]2)CCCC[NH2+]1 258002899 573330635 /nfs/dbraw/zinc/33/06/35/573330635.db2.gz AMRQYQUYWCAQFK-RYUDHWBXSA-N 2 0 196.338 2.051 10 0 AEAERP CCC[C@@H](CC(C)(C)C[NH3+])[NH+](C)C 259421211 573332469 /nfs/dbraw/zinc/33/24/69/573332469.db2.gz HZKJYKGWAZSYHW-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]1 308559700 573332912 /nfs/dbraw/zinc/33/29/12/573332912.db2.gz WMXODLABPYWSRI-NEPJUHHUSA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+][C@H](CC(C)C)CC1CC[NH2+]CC1 259423455 573339636 /nfs/dbraw/zinc/33/96/36/573339636.db2.gz NPJWSPXWZJPABN-GFCCVEGCSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H](CC[NH3+])[NH2+]C1CCCCCC1 129575561 573340215 /nfs/dbraw/zinc/34/02/15/573340215.db2.gz DFAMZMSJDAXCJJ-JTQLQIEISA-N 2 0 184.327 2.036 10 0 AEAERP CCC[NH2+]C[C@](C)(CC)C[NH+]1CCC1 308554667 573340372 /nfs/dbraw/zinc/34/03/72/573340372.db2.gz UMBGYPQXMXKGRE-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@H]([NH3+])CCCC[N@@H+]1CCCC[C@@H]1C 223262100 573340580 /nfs/dbraw/zinc/34/05/80/573340580.db2.gz GGXFKLACVLEKBO-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[NH2+]C[C@@](C)(CC)C[NH+]1CCC1 308554666 573340968 /nfs/dbraw/zinc/34/09/68/573340968.db2.gz UMBGYPQXMXKGRE-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP C[NH2+]CCCC[NH2+][C@@H]1CCC(C)(C)C1 129587589 573343219 /nfs/dbraw/zinc/34/32/19/573343219.db2.gz XHOSJUYVJOOFLW-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP C[C@H](CC[NH3+])[NH2+]C1CCCCCC1 129575762 573344131 /nfs/dbraw/zinc/34/41/31/573344131.db2.gz DFAMZMSJDAXCJJ-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP CC(C)[N@@H+]1CC[C@@H](C/C=C\CC[NH3+])C1 258290263 573343951 /nfs/dbraw/zinc/34/39/51/573343951.db2.gz TXFVEPWNHCJZAQ-VSQXVHSFSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)(C)[NH2+]CC[C@@H]([NH3+])C(C)(C)C 129597317 573345139 /nfs/dbraw/zinc/34/51/39/573345139.db2.gz GTYDBJYBMWAQLE-SECBINFHSA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)(C)[NH2+]CC[C@H]([NH3+])C(C)(C)C 129597534 573345184 /nfs/dbraw/zinc/34/51/84/573345184.db2.gz GTYDBJYBMWAQLE-VIFPVBQESA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)[N@@H+]1CC[C@H](C/C=C\CC[NH3+])C1 258290259 573345492 /nfs/dbraw/zinc/34/54/92/573345492.db2.gz TXFVEPWNHCJZAQ-MVZIDQBPSA-N 2 0 196.338 2.012 10 0 AEAERP C[C@H]([NH3+])CCC[NH+]1[C@@H](C)CCC[C@@H]1C 223264838 573346473 /nfs/dbraw/zinc/34/64/73/573346473.db2.gz GTTYLEUYNRVCGA-SRVKXCTJSA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)(C)[C@@H]([NH3+])CC[NH2+]C1CCCC1 129600588 573349602 /nfs/dbraw/zinc/34/96/02/573349602.db2.gz OMNHBMDDOFOGNT-NSHDSACASA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[NH2+]CC[C@H]([NH3+])C(C)(C)C 129602543 573349701 /nfs/dbraw/zinc/34/97/01/573349701.db2.gz AKZNAFIRCYBREQ-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H](C)[NH2+]CC[C@H]([NH3+])C(C)(C)C 129598652 573349738 /nfs/dbraw/zinc/34/97/38/573349738.db2.gz DWRZRJMZTKVHMJ-ZJUUUORDSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@H](C[NH3+])CC[NH2+][C@@H]1CCC(C)(C)C1 129595570 573350070 /nfs/dbraw/zinc/35/00/70/573350070.db2.gz PFRFETHLBTZYER-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]1CC[C@H]1[NH2+]CCCCCCC[NH3+] 308559149 573351689 /nfs/dbraw/zinc/35/16/89/573351689.db2.gz WFTXCMGHODBZGU-NWDGAFQWSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1CC[C@@H]1[NH2+]CCCCCCC[NH3+] 308559150 573351276 /nfs/dbraw/zinc/35/12/76/573351276.db2.gz WFTXCMGHODBZGU-RYUDHWBXSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H]1CC[C@@H]1[NH2+]CCCCCCC[NH3+] 308559148 573352376 /nfs/dbraw/zinc/35/23/76/573352376.db2.gz WFTXCMGHODBZGU-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1CC(C)(C)C[C@H]1[N@H+](C)CCC[NH3+] 235570855 573352648 /nfs/dbraw/zinc/35/26/48/573352648.db2.gz XNJCJPNDEOADFZ-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+](C(C)C)[C@H](C)[C@@H]1C 86302925 573353070 /nfs/dbraw/zinc/35/30/70/573353070.db2.gz XSEQBNWKPIVOSD-QJPTWQEYSA-N 2 0 198.354 2.103 10 0 AEAERP CCC[N@H+](CC(C)=C1C[NH2+]C1)C(C)C 129477902 573354585 /nfs/dbraw/zinc/35/45/85/573354585.db2.gz ZUEKFIJAURVHCW-UHFFFAOYSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@H](C[NH3+])[C@@H](C)[N@@H+]1CCCC(C)(C)C1 86312689 573358631 /nfs/dbraw/zinc/35/86/31/573358631.db2.gz SDEPJWISXMEQDK-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](CC(C)(C)C)[C@@H]1C 86304153 573359822 /nfs/dbraw/zinc/35/98/22/573359822.db2.gz HTVZUMDSRPNFCZ-AXFHLTTASA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH2+][C@H]1CCC1(C)C 308562076 573362367 /nfs/dbraw/zinc/36/23/67/573362367.db2.gz XYHYMMDUCBEBDN-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](CC1CC1)[NH2+]CCC(C)(C)[NH3+] 308562127 573362750 /nfs/dbraw/zinc/36/27/50/573362750.db2.gz YCLNRWHOMISKOD-NSHDSACASA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]([C@H](C)C[NH3+])[N@@H+]1CCCC(C)(C)C1 86312691 573363009 /nfs/dbraw/zinc/36/30/09/573363009.db2.gz SDEPJWISXMEQDK-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@@H]1CCCC1(C)C 393663091 573365125 /nfs/dbraw/zinc/36/51/25/573365125.db2.gz YUJYVDYOOHMGKS-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP CC[N@@H+]1CCC[C@H]1C[C@]1(C)CCC[NH2+]1 258312381 573365220 /nfs/dbraw/zinc/36/52/20/573365220.db2.gz VNDSCQZPBWFLQU-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)(C)[C@@H]([NH3+])CC[NH2+][C@H]1CC1(C)C 129610769 573366799 /nfs/dbraw/zinc/36/67/99/573366799.db2.gz HIBWNQCZTSFGST-UWVGGRQHSA-N 2 0 198.354 2.138 10 0 AEAERP [NH3+][C@@H]1CCCC[C@@H]1CC[NH2+]C1CCC1 308563589 573367367 /nfs/dbraw/zinc/36/73/67/573367367.db2.gz GODRZZGVOKKGDA-ZYHUDNBSSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)(C)[C@@H]([NH3+])CC[NH2+][C@@H]1CC1(C)C 129610977 573367369 /nfs/dbraw/zinc/36/73/69/573367369.db2.gz HIBWNQCZTSFGST-VHSXEESVSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](CC)C1 133097116 573367405 /nfs/dbraw/zinc/36/74/05/573367405.db2.gz BSPLWZPPFMWXSI-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC1(C)C 129611420 573367918 /nfs/dbraw/zinc/36/79/18/573367918.db2.gz HIBWNQCZTSFGST-NXEZZACHSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1CC(C)(C)C1(C)C 690177163 573368033 /nfs/dbraw/zinc/36/80/33/573368033.db2.gz GMUIKUQDKXAUGU-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](CCC[NH3+])[N@@H+]1CC(C)(C)C1(C)C 690177167 573371795 /nfs/dbraw/zinc/37/17/95/573371795.db2.gz GMUIKUQDKXAUGU-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)(C)[C@@H]([NH3+])CC[NH2+]CCC1CC1 129624869 573371809 /nfs/dbraw/zinc/37/18/09/573371809.db2.gz KFZCOKMFZVXTBW-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CCCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133083617 573374726 /nfs/dbraw/zinc/37/47/26/573374726.db2.gz LTKHNJKVEPBIBT-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@]1([C@H]2CCCC[NH2+]2)CCCC[NH2+]1 258327696 573375030 /nfs/dbraw/zinc/37/50/30/573375030.db2.gz WTCBIWOQZBLIBD-NEPJUHHUSA-N 2 0 196.338 2.051 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H](C)CC[NH2+]C 323144042 573375056 /nfs/dbraw/zinc/37/50/56/573375056.db2.gz KOTROUJRUOXIPG-QWRGUYRKSA-N 2 0 186.343 2.010 10 0 AEAERP CC[C@]1([C@@H]2CCCC[NH2+]2)CCCC[NH2+]1 258327701 573375224 /nfs/dbraw/zinc/37/52/24/573375224.db2.gz WTCBIWOQZBLIBD-NWDGAFQWSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CCCC(C)(C)C 308565746 573375340 /nfs/dbraw/zinc/37/53/40/573375340.db2.gz APXSVSPGRAKYCR-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C(C)C 308565778 573375609 /nfs/dbraw/zinc/37/56/09/573375609.db2.gz APZZLKOWLCDQLI-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@H](C)CC[NH2+]C 323144040 573375681 /nfs/dbraw/zinc/37/56/81/573375681.db2.gz KOTROUJRUOXIPG-GHMZBOCLSA-N 2 0 186.343 2.010 10 0 AEAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCC(C)(C)C 308565705 573376024 /nfs/dbraw/zinc/37/60/24/573376024.db2.gz APXSVSPGRAKYCR-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C/C=C(\C)C[N@@H+]1CCC[C@H](CC[NH3+])C1 308376446 573376402 /nfs/dbraw/zinc/37/64/02/573376402.db2.gz SURSTBPQKLYVDV-NDZKXSSTSA-N 2 0 196.338 2.013 10 0 AEAERP [NH3+][C@H](C[NH2+]C1CC1)CC1CCCCC1 308565811 573376845 /nfs/dbraw/zinc/37/68/45/573376845.db2.gz YFYWXUYPFALPGO-NSHDSACASA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@]1([C@H]2CCCC[NH2+]2)CCCC[NH2+]1 258327710 573377709 /nfs/dbraw/zinc/37/77/09/573377709.db2.gz WTCBIWOQZBLIBD-VXGBXAGGSA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@@]1([C@@H]2CCCC[NH2+]2)CCCC[NH2+]1 258327706 573378048 /nfs/dbraw/zinc/37/80/48/573378048.db2.gz WTCBIWOQZBLIBD-RYUDHWBXSA-N 2 0 196.338 2.051 10 0 AEAERP [NH3+][C@@H](C[NH2+]C1CC1)CC1CCCCC1 308565809 573378134 /nfs/dbraw/zinc/37/81/34/573378134.db2.gz YFYWXUYPFALPGO-LLVKDONJSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C(C)C 308565767 573378201 /nfs/dbraw/zinc/37/82/01/573378201.db2.gz APZZLKOWLCDQLI-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C/C=C\CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C 308377132 573380354 /nfs/dbraw/zinc/38/03/54/573380354.db2.gz BMOJBNXSULSWHC-UMOJZNBSSA-N 2 0 196.338 2.010 10 0 AEAERP C/C=C\CC[N@H+]1CC[C@H]([NH2+]C)C[C@H]1C 308377660 573381439 /nfs/dbraw/zinc/38/14/39/573381439.db2.gz BNPNIZOGIBRUMB-JYYSYOFASA-N 2 0 196.338 2.025 10 0 AEAERP C[C@H](C[NH2+]CCCCCC[NH3+])C1CC1 133170353 573381657 /nfs/dbraw/zinc/38/16/57/573381657.db2.gz DEKVYBZPMIPUFF-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CCCC[C@H]([NH3+])C[NH2+]C[C@@H](C)C1CC1 133213888 573381519 /nfs/dbraw/zinc/38/15/19/573381519.db2.gz BMSZAVOJFHMTPF-PWSUYJOCSA-N 2 0 198.354 2.140 10 0 AEAERP CC/C=C(\C)C[N@@H+]1CCC[C@H](C[NH3+])C1 308377200 573382695 /nfs/dbraw/zinc/38/26/95/573382695.db2.gz UONQDLZUXLIKIH-JXDHDYMSSA-N 2 0 196.338 2.013 10 0 AEAERP CC[NH+](CC)[C@@H](C)C[C@H]1CCCC[NH2+]1 126151221 573384646 /nfs/dbraw/zinc/38/46/46/573384646.db2.gz MHVLJLHXHYHARJ-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC([NH3+])(CC)C[NH2+]C[C@@H](C)C1CC1 133208599 573384746 /nfs/dbraw/zinc/38/47/46/573384746.db2.gz FQNYADUZJVLBQD-SNVBAGLBSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)=CC[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 235580136 573384936 /nfs/dbraw/zinc/38/49/36/573384936.db2.gz XHBAVDAUTRKWAJ-RYUDHWBXSA-N 2 0 196.338 2.025 10 0 AEAERP CC[NH2+][C@H](C)c1cnc(CC(C)C)[nH]1 308566705 573385142 /nfs/dbraw/zinc/38/51/42/573385142.db2.gz YSAOEEIYXOXTCV-SECBINFHSA-N 2 0 195.310 2.279 10 0 AEAERP C[NH2+]CCC[C@H](C1CCCC1)[NH+](C)C 259435729 573387590 /nfs/dbraw/zinc/38/75/90/573387590.db2.gz IRQZTLYCAMDKFG-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H]([NH3+])CC[NH2+]C[C@@H](C)C1CC1 133209861 573387014 /nfs/dbraw/zinc/38/70/14/573387014.db2.gz YUXDQYJVPIKHEX-PWSUYJOCSA-N 2 0 198.354 2.140 10 0 AEAERP CCC([NH3+])(CC)C[NH2+]C[C@H](C)C1CC1 133208801 573387242 /nfs/dbraw/zinc/38/72/42/573387242.db2.gz FQNYADUZJVLBQD-JTQLQIEISA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)([NH3+])CC[C@@H]([NH3+])C1CCCCC1 259436252 573387789 /nfs/dbraw/zinc/38/77/89/573387789.db2.gz PTQDCQIQGHSRQV-LLVKDONJSA-N 2 0 198.354 2.412 10 0 AEAERP C[C@H]([NH3+])CCCC[NH2+]C[C@@H](C)C1CC1 133249188 573388045 /nfs/dbraw/zinc/38/80/45/573388045.db2.gz JRRJZLJGPWKZAG-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP C[NH+](C)[C@H](CCC[NH3+])C1CCCCC1 259435688 573388255 /nfs/dbraw/zinc/38/82/55/573388255.db2.gz IRCZCLJPMUJKJZ-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])CC1 235580507 573389811 /nfs/dbraw/zinc/38/98/11/573389811.db2.gz FKLUXFZSUCKETE-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)([NH3+])CC[C@H]([NH3+])C1CCCCC1 259436257 573390868 /nfs/dbraw/zinc/39/08/68/573390868.db2.gz PTQDCQIQGHSRQV-NSHDSACASA-N 2 0 198.354 2.412 10 0 AEAERP C[N@@H+]1CCCC[C@@H]1CCC1([NH3+])CCC1 258012327 573390981 /nfs/dbraw/zinc/39/09/81/573390981.db2.gz MVXWTIIOANDCGN-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CCC[C@](C)([NH3+])C[NH2+]C[C@@H](C)C1CC1 133253888 573391339 /nfs/dbraw/zinc/39/13/39/573391339.db2.gz OEXPSPVCCLXANM-PWSUYJOCSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@](C)([NH3+])C[NH2+]C[C@H](C)C1CC1 133254509 573391614 /nfs/dbraw/zinc/39/16/14/573391614.db2.gz OEXPSPVCCLXANM-CMPLNLGQSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH+](C)[C@@H](CCC[NH3+])C1CCCCC1 259435691 573391896 /nfs/dbraw/zinc/39/18/96/573391896.db2.gz IRCZCLJPMUJKJZ-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](C[NH2+]CCCC(C)(C)[NH3+])C1CC1 133257559 573393470 /nfs/dbraw/zinc/39/34/70/573393470.db2.gz JZKSGKNQDINLEH-JTQLQIEISA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1C[N@@H+](C2(C)CCCC2)CCCN1 83093866 573394913 /nfs/dbraw/zinc/39/49/13/573394913.db2.gz GHAGMSXVFSXSAF-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[C@H](CC)C[NH2+]C/C=C/C[NH3+] 308572833 573402214 /nfs/dbraw/zinc/40/22/14/573402214.db2.gz FUWYDNLHYMJPGT-SYTKJHMZSA-N 2 0 198.354 2.307 10 0 AEAERP CCC[C@H]1C[N@@H+](C2CCC2)CCC[NH2+]1 83106092 573402469 /nfs/dbraw/zinc/40/24/69/573402469.db2.gz CPUYYSIWPQSECF-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+]CCC[C@@H]([NH3+])c1sccc1C 259096372 573403158 /nfs/dbraw/zinc/40/31/58/573403158.db2.gz ASLGTJOFPYQZKM-SECBINFHSA-N 2 0 198.335 2.056 10 0 AEAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])C1)C1CCCC1 86400778 573403699 /nfs/dbraw/zinc/40/36/99/573403699.db2.gz FARAIUMTWNXNHH-DLOVCJGASA-N 2 0 196.338 2.035 10 0 AEAERP CC1(C[NH2+][C@H]2CC[C@@H]([NH3+])C2)CCCC1 86400637 573407776 /nfs/dbraw/zinc/40/77/76/573407776.db2.gz LKRMJKOLSDFHPY-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CC1(C[NH2+][C@H]2CC[C@H]([NH3+])C2)CCCC1 86400634 573407468 /nfs/dbraw/zinc/40/74/68/573407468.db2.gz LKRMJKOLSDFHPY-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CC1(C[NH2+][C@@H]2CC[C@H]([NH3+])C2)CCCC1 86400631 573407783 /nfs/dbraw/zinc/40/77/83/573407783.db2.gz LKRMJKOLSDFHPY-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 86400775 573408317 /nfs/dbraw/zinc/40/83/17/573408317.db2.gz FARAIUMTWNXNHH-ZMLRMANQSA-N 2 0 196.338 2.035 10 0 AEAERP C[NH+](C)[C@@H](C(C)(C)C)C1(C[NH3+])CCC1 259443014 573411452 /nfs/dbraw/zinc/41/14/52/573411452.db2.gz IWXYOFGSGUBNCD-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)(C)C(C)(C)[NH2+]C[C@H]1CCC[NH2+]1 308577014 573411768 /nfs/dbraw/zinc/41/17/68/573411768.db2.gz NCIHAWPIIQNXIG-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[N@H+](CC)[C@@H]1CC[NH2+][C@H](C)C1 252950709 573411914 /nfs/dbraw/zinc/41/19/14/573411914.db2.gz OTCJMVCXBLVNDY-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])C1 86410277 573415362 /nfs/dbraw/zinc/41/53/62/573415362.db2.gz RKDFUXQNCYERDA-JQWIXIFHSA-N 2 0 196.338 2.131 10 0 AEAERP C[N@H+](C1CCCC1)[C@@H]1CCC[C@H]([NH3+])C1 86410091 573415397 /nfs/dbraw/zinc/41/53/97/573415397.db2.gz ZOQJLWSRYUOZCH-CMPLNLGQSA-N 2 0 196.338 2.131 10 0 AEAERP [NH3+][C@@H]1CC[C@@H]([NH+]2CCCCCCC2)C1 86409989 573415566 /nfs/dbraw/zinc/41/55/66/573415566.db2.gz BNHCBVSBKNTSLR-VXGBXAGGSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+]CCCC[N@@H+]1CCCC12CCCC2 308580327 573416137 /nfs/dbraw/zinc/41/61/37/573416137.db2.gz OVIQFCHGQHDACL-UHFFFAOYSA-N 2 0 196.338 2.134 10 0 AEAERP [NH3+][C@H]1CC[C@H]([NH+]2CCCCCCC2)C1 86409988 573415747 /nfs/dbraw/zinc/41/57/47/573415747.db2.gz BNHCBVSBKNTSLR-RYUDHWBXSA-N 2 0 196.338 2.132 10 0 AEAERP C[N@H+](C1CCCC1)[C@H]1CCC[C@H]([NH3+])C1 86410093 573416054 /nfs/dbraw/zinc/41/60/54/573416054.db2.gz ZOQJLWSRYUOZCH-JQWIXIFHSA-N 2 0 196.338 2.131 10 0 AEAERP C[N@@H+]1CCC[C@@H]1CC[C@@]1(C)CCC[NH2+]1 258338782 573417248 /nfs/dbraw/zinc/41/72/48/573417248.db2.gz XQASKAUDNSUSPC-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP C/C=C(\C)C[N@@H+]1CCCC[C@@H]1CC[NH3+] 308387819 573418555 /nfs/dbraw/zinc/41/85/55/573418555.db2.gz GGGKCJSSRSUYJS-NDZKXSSTSA-N 2 0 196.338 2.156 10 0 AEAERP C[N@@H+]1CCC[C@H]1CC[C@@]1(C)CCC[NH2+]1 258338778 573418349 /nfs/dbraw/zinc/41/83/49/573418349.db2.gz XQASKAUDNSUSPC-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@@H+]1CCC[C@@H]1CC[C@]1(C)CCC[NH2+]1 258338776 573418385 /nfs/dbraw/zinc/41/83/85/573418385.db2.gz XQASKAUDNSUSPC-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])C1 86409772 573418570 /nfs/dbraw/zinc/41/85/70/573418570.db2.gz WARJIFHTMYZWRM-JQWIXIFHSA-N 2 0 196.338 2.131 10 0 AEAERP CC[C@@]1(CC[C@H]2CCC[NH2+]2)CCC[NH2+]1 258338833 573420083 /nfs/dbraw/zinc/42/00/83/573420083.db2.gz XQKCDYLEMFRAPG-NEPJUHHUSA-N 2 0 196.338 2.051 10 0 AEAERP CC[N@H+](CC[C@H]([NH3+])C1CC1)CC(C)C 130018294 573421206 /nfs/dbraw/zinc/42/12/06/573421206.db2.gz OCSMDXZRLCWTAL-LBPRGKRZSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]([NH3+])C1 86431632 573422239 /nfs/dbraw/zinc/42/22/39/573422239.db2.gz CMURZMPRJMYNGI-QJPTWQEYSA-N 2 0 196.338 2.131 10 0 AEAERP C/C=C(\CC)C[NH+]1CCC(C[NH3+])CC1 308388746 573422453 /nfs/dbraw/zinc/42/24/53/573422453.db2.gz HNPGMKSJZPMAOX-QDEBKDIKSA-N 2 0 196.338 2.013 10 0 AEAERP CC[N@H+](CC[C@@H]([NH3+])C1CC1)CC(C)C 130018536 573422593 /nfs/dbraw/zinc/42/25/93/573422593.db2.gz OCSMDXZRLCWTAL-GFCCVEGCSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC[C@H]([NH3+])C1CC1)C(C)C 130016043 573422904 /nfs/dbraw/zinc/42/29/04/573422904.db2.gz HPNLMPVCGYMYGH-LBPRGKRZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)C[N@H+](CC)CCCC(N)=[NH2+] 86437811 573422982 /nfs/dbraw/zinc/42/29/82/573422982.db2.gz XBNWPMWLNCSRIS-SNVBAGLBSA-N 2 0 199.342 2.071 10 0 AEAERP [NH3+]C1(CCC[NH+]2CCCCC2)CCC1 258025887 573423009 /nfs/dbraw/zinc/42/30/09/573423009.db2.gz NOZUOMQDHLHKGF-UHFFFAOYSA-N 2 0 196.338 2.134 10 0 AEAERP CC[C@H](C)[N@H+](CC)CC[C@H]([NH3+])C1CC1 130018977 573425490 /nfs/dbraw/zinc/42/54/90/573425490.db2.gz ZIQMORQYAMRWQN-JQWIXIFHSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86432917 573426036 /nfs/dbraw/zinc/42/60/36/573426036.db2.gz BSTVISXRZUDHOT-WDEREUQCSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@H]([N@H+](C)[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C 86432534 573426088 /nfs/dbraw/zinc/42/60/88/573426088.db2.gz ZCQMHSOUMBZLKQ-GARJFASQSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@@H]1CCCCC[N@@H+]1[C@@H]1CC[C@H]([NH3+])C1 86432945 573428010 /nfs/dbraw/zinc/42/80/10/573428010.db2.gz GVYMWQQTVNVCHC-GRYCIOLGSA-N 2 0 196.338 2.131 10 0 AEAERP [NH3+][C@@H](CC[NH2+]C1CCCCC1)C1CC1 130034383 573431586 /nfs/dbraw/zinc/43/15/86/573431586.db2.gz XDKLEPOCYBYZPY-LBPRGKRZSA-N 2 0 196.338 2.036 10 0 AEAERP CCC(CC)[N@H+](C)CC[C@H]([NH3+])C1CC1 130026744 573431623 /nfs/dbraw/zinc/43/16/23/573431623.db2.gz PXHRVRMUHZSMNF-LBPRGKRZSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([NH3+])c1ccc2c(c1)[C@H]([NH3+])CCC2 238394051 573431723 /nfs/dbraw/zinc/43/17/23/573431723.db2.gz AOOPXOWELAZUBO-PRHODGIISA-N 2 0 190.290 2.042 10 0 AEAERP CCC[C@H](C)[N@H+](C)CC[C@H]([NH3+])C1CC1 130027419 573431763 /nfs/dbraw/zinc/43/17/63/573431763.db2.gz VPHHVLHOVYUDMQ-JQWIXIFHSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C1CC1 130026512 573432220 /nfs/dbraw/zinc/43/22/20/573432220.db2.gz ZLNJFGNWJLDUEA-JQWIXIFHSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[NH2+]CCC1(C[NH3+])CCCCC1 133725922 573433728 /nfs/dbraw/zinc/43/37/28/573433728.db2.gz HXKZFXCPZHYKKE-UHFFFAOYSA-N 2 0 198.354 2.285 10 0 AEAERP C[C@@H]([NH3+])c1ccc2c(c1)[C@@H]([NH3+])CCC2 238394067 573432484 /nfs/dbraw/zinc/43/24/84/573432484.db2.gz AOOPXOWELAZUBO-PELKAZGASA-N 2 0 190.290 2.042 10 0 AEAERP CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)[NH3+] 308580958 573432669 /nfs/dbraw/zinc/43/26/69/573432669.db2.gz JTAVHSDBKPQWJU-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[NH2+]CCC1(C[NH3+])CCCCC1 133726372 573432735 /nfs/dbraw/zinc/43/27/35/573432735.db2.gz HDACDGAZIAKYQR-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP [NH3+]CC1(CC[NH2+]C2CC2)CCCCC1 133726963 573432745 /nfs/dbraw/zinc/43/27/45/573432745.db2.gz XQRFZBWRFMDJBX-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C1CC1 130026282 573432762 /nfs/dbraw/zinc/43/27/62/573432762.db2.gz ZLNJFGNWJLDUEA-PWSUYJOCSA-N 2 0 198.354 2.090 10 0 AEAERP CC[N@H+](C)CCC1(C[NH3+])CCCCC1 133723260 573433307 /nfs/dbraw/zinc/43/33/07/573433307.db2.gz FXFAOCCQTZVVJM-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](C)[NH3+] 308580959 573433527 /nfs/dbraw/zinc/43/35/27/573433527.db2.gz JTAVHSDBKPQWJU-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@@H+]1CCCCC[C@H]1C[C@@H](C)[NH3+] 308580956 573433607 /nfs/dbraw/zinc/43/36/07/573433607.db2.gz JTAVHSDBKPQWJU-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](C)[NH2+]CC[C@H]1CCCC[C@@H]1[NH3+] 308581281 573435094 /nfs/dbraw/zinc/43/50/94/573435094.db2.gz PGORISQPOVMXLE-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H](CCC[NH+](C)C)[NH2+]CCC1CC1 308580917 573435170 /nfs/dbraw/zinc/43/51/70/573435170.db2.gz PFDVGCGCLHMLPZ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[N@@H+]1CC[C@@H](C[NH3+])CC1(C)C 259448623 573435201 /nfs/dbraw/zinc/43/52/01/573435201.db2.gz OZRZUSIKCPZCAQ-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1[NH3+] 308581280 573435597 /nfs/dbraw/zinc/43/55/97/573435597.db2.gz PGORISQPOVMXLE-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[N@@H+]1CCC[C@H](C[NH3+])C1(C)C 259448794 573440262 /nfs/dbraw/zinc/44/02/62/573440262.db2.gz PBAOCMGKZJOCEF-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@H](N)C1(C)C 308582389 573440814 /nfs/dbraw/zinc/44/08/14/573440814.db2.gz PYRDWIKUDRJTPI-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)=CCN1CC[C@H](C)C[C@@H]1C[NH3+] 235595654 573437468 /nfs/dbraw/zinc/43/74/68/573437468.db2.gz UMQRUALSDHYELB-NWDGAFQWSA-N 2 0 196.338 2.012 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@@H](N)C1(C)C 308582390 573440085 /nfs/dbraw/zinc/44/00/85/573440085.db2.gz PYRDWIKUDRJTPI-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CC[C@H](N)C1(C)C 308582388 573440860 /nfs/dbraw/zinc/44/08/60/573440860.db2.gz PYRDWIKUDRJTPI-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)(C)CC(C)(C)[NH2+]C/C=C/C[NH3+] 308587246 573444095 /nfs/dbraw/zinc/44/40/95/573444095.db2.gz MVLMJGJSFALQSV-VOTSOKGWSA-N 2 0 198.354 2.306 10 0 AEAERP C[NH+](C)C(C)(C)[C@H]([NH3+])CC1(C)CCC1 308589316 573449021 /nfs/dbraw/zinc/44/90/21/573449021.db2.gz ULLHDMFBMSJYHI-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH+](C)C(C)(C)[C@@H]([NH3+])CC1(C)CCC1 308589315 573447478 /nfs/dbraw/zinc/44/74/78/573447478.db2.gz ULLHDMFBMSJYHI-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP CCCC1CC[NH+]([C@H](C)CC[NH3+])CC1 50893165 573447480 /nfs/dbraw/zinc/44/74/80/573447480.db2.gz NZULFUQIRKUQLX-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC1CC[NH+](C[C@@H](C)C[NH3+])CC1 50893181 573447872 /nfs/dbraw/zinc/44/78/72/573447872.db2.gz ZJUNCIIAUXJKJI-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]C/C=C\C[C@@H]1CCC[N@@H+]1C(C)C 258352288 573448114 /nfs/dbraw/zinc/44/81/14/573448114.db2.gz YPIGWOQYEZPSLN-QMAVJUDZSA-N 2 0 196.338 2.025 10 0 AEAERP CCCC1CC[NH+]([C@@H](C)CC[NH3+])CC1 50893164 573448201 /nfs/dbraw/zinc/44/82/01/573448201.db2.gz NZULFUQIRKUQLX-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCC1C[NH+]([C@@H](C)CCCC[NH3+])C1 308587656 573449048 /nfs/dbraw/zinc/44/90/48/573449048.db2.gz SVPBXUQEIHYKDR-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCC1C[NH+]([C@H](C)CCCC[NH3+])C1 308587655 573449224 /nfs/dbraw/zinc/44/92/24/573449224.db2.gz SVPBXUQEIHYKDR-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H](/C=C\CC[NH3+])C1 258346540 573449817 /nfs/dbraw/zinc/44/98/17/573449817.db2.gz YEWFZWLGLRICQZ-RYBZSIHZSA-N 2 0 196.338 2.012 10 0 AEAERP C[NH2+]C/C=C\C[C@H]1CCC[N@@H+]1C(C)C 258352291 573450647 /nfs/dbraw/zinc/45/06/47/573450647.db2.gz YPIGWOQYEZPSLN-RXNFCKPNSA-N 2 0 196.338 2.025 10 0 AEAERP CC[NH2+][C@H]1CCN(CCC(C)(C)C)C1 130067203 573450856 /nfs/dbraw/zinc/45/08/56/573450856.db2.gz KTNPFHIZLMROMA-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H](/C=C\CC[NH3+])C1 258346538 573451167 /nfs/dbraw/zinc/45/11/67/573451167.db2.gz YEWFZWLGLRICQZ-GCLPIYDQSA-N 2 0 196.338 2.012 10 0 AEAERP CCC1CC([NH2+]CCCC[NH+](C)C)C1 308593223 573453091 /nfs/dbraw/zinc/45/30/91/573453091.db2.gz LEBVJFRTUKAQDE-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@@H+]1CCC[C@@H]1[C@@]1(C)CCCC[NH2+]1 258362512 573456063 /nfs/dbraw/zinc/45/60/63/573456063.db2.gz ZKMYIFGMJJBMIV-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)CCC[N@@H+]1CCC[C@H]1CC[NH3+] 308591896 573459186 /nfs/dbraw/zinc/45/91/86/573459186.db2.gz PKVVGZPFWVTADT-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]1CCC[C@H]([NH2+]C/C=C\C[NH3+])CC1 308591852 573459262 /nfs/dbraw/zinc/45/92/62/573459262.db2.gz PJNUDZPJOWSIDG-DQOJRVPBSA-N 2 0 196.338 2.060 10 0 AEAERP C[C@@H]1CCC[C@@H]([NH2+]C/C=C/C[NH3+])CC1 308591857 573459555 /nfs/dbraw/zinc/45/95/55/573459555.db2.gz PJNUDZPJOWSIDG-JGLYPNHGSA-N 2 0 196.338 2.060 10 0 AEAERP C[N@H+](CC[C@@H]([NH3+])C1CC1)CC(C)(C)C 130078134 573463566 /nfs/dbraw/zinc/46/35/66/573463566.db2.gz AFLXKAJSWAFJNX-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C1CC1 130084928 573462727 /nfs/dbraw/zinc/46/27/27/573462727.db2.gz PWELLFLATXNVRH-ZYHUDNBSSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]1CCC[C@H]([NH2+]C/C=C/C[NH3+])CC1 308591854 573462908 /nfs/dbraw/zinc/46/29/08/573462908.db2.gz PJNUDZPJOWSIDG-FQVTYBBZSA-N 2 0 196.338 2.060 10 0 AEAERP CCCC[NH2+][C@H](C)C[C@@H]1CCCC[NH2+]1 86498712 573463163 /nfs/dbraw/zinc/46/31/63/573463163.db2.gz NRBJYSVKCVGKBJ-NEPJUHHUSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)[NH2+]C[C@H](C)[N@@H+]1C[C@H](C)C[C@@H]1C 158277661 573463950 /nfs/dbraw/zinc/46/39/50/573463950.db2.gz YCKOMLVJCHCULM-WOPDTQHZSA-N 2 0 198.354 2.103 10 0 AEAERP CCCC[C@@H](C)[NH2+]CC[C@H]([NH3+])C1CC1 130084488 573464230 /nfs/dbraw/zinc/46/42/30/573464230.db2.gz PWELLFLATXNVRH-PWSUYJOCSA-N 2 0 198.354 2.282 10 0 AEAERP C[N@H+](CC[C@H]([NH3+])C1CC1)CC(C)(C)C 130077897 573465464 /nfs/dbraw/zinc/46/54/64/573465464.db2.gz AFLXKAJSWAFJNX-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)CC1 235602421 573465799 /nfs/dbraw/zinc/46/57/99/573465799.db2.gz SDXJOZBUAUIJPJ-VOBJUBJWSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)[NH2+]C[C@H](C)[N@@H+]1C[C@H](C)C[C@H]1C 158277943 573466352 /nfs/dbraw/zinc/46/63/52/573466352.db2.gz YCKOMLVJCHCULM-UTUOFQBUSA-N 2 0 198.354 2.103 10 0 AEAERP Cc1ccsc1[C@H]([NH3+])C[C@@H](C)C[NH3+] 259469249 573476412 /nfs/dbraw/zinc/47/64/12/573476412.db2.gz RPZXZFQOVIENHT-VXNVDRBHSA-N 2 0 198.335 2.041 10 0 AEAERP Cc1ccsc1[C@@H]([NH3+])C[C@@H](C)C[NH3+] 259469245 573476612 /nfs/dbraw/zinc/47/66/12/573476612.db2.gz RPZXZFQOVIENHT-APPZFPTMSA-N 2 0 198.335 2.041 10 0 AEAERP C[NH2+][C@H](CC(C)C)C[C@@H]1CCCC[NH2+]1 259466541 573476738 /nfs/dbraw/zinc/47/67/38/573476738.db2.gz PWWGKXLTUWXJIH-NWDGAFQWSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H](CCC[NH3+])C[N@@H+]1CCC[C@H](C)C1 144922842 573477642 /nfs/dbraw/zinc/47/76/42/573477642.db2.gz FVCJKERHCYEHHR-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)[N@@H+]1CC[C@@H](C[NH3+])CC1(C)C 259468910 573477190 /nfs/dbraw/zinc/47/71/90/573477190.db2.gz QOKAGZBDLTYMSL-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@H](CC(C)C)C[C@H]1CCCC[NH2+]1 259466544 573477268 /nfs/dbraw/zinc/47/72/68/573477268.db2.gz PWWGKXLTUWXJIH-VXGBXAGGSA-N 2 0 198.354 2.153 10 0 AEAERP Cc1ccsc1[C@@H]([NH3+])C[C@H](C)C[NH3+] 259469246 573480543 /nfs/dbraw/zinc/48/05/43/573480543.db2.gz RPZXZFQOVIENHT-CBAPKCEASA-N 2 0 198.335 2.041 10 0 AEAERP Cc1ccsc1[C@H]([NH3+])C[C@H](C)C[NH3+] 259469247 573478874 /nfs/dbraw/zinc/47/88/74/573478874.db2.gz RPZXZFQOVIENHT-IONNQARKSA-N 2 0 198.335 2.041 10 0 AEAERP CC[C@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H](C)[NH3+] 308595653 573481950 /nfs/dbraw/zinc/48/19/50/573481950.db2.gz RSBOKKLFOBWFPD-GRYCIOLGSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@H](C)[N@@H+]1CCCC[C@H]1C[C@@H](C)[NH3+] 308595665 573482691 /nfs/dbraw/zinc/48/26/91/573482691.db2.gz RSBOKKLFOBWFPD-WOPDTQHZSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CC2)CC1 235604977 573482617 /nfs/dbraw/zinc/48/26/17/573482617.db2.gz GKKJTOPPCMPWCJ-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H](C)[N@@H+]1CCCC[C@H]1C[C@H](C)[NH3+] 308595661 573482626 /nfs/dbraw/zinc/48/26/26/573482626.db2.gz RSBOKKLFOBWFPD-SRVKXCTJSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@H](C)[N@@H+]1CCCC[C@@H]1C[C@H](C)[NH3+] 308595656 573482672 /nfs/dbraw/zinc/48/26/72/573482672.db2.gz RSBOKKLFOBWFPD-SDDRHHMPSA-N 2 0 198.354 2.377 10 0 AEAERP [NH3+]C1CCC([C@H]([NH3+])C2CCCC2)CC1 259470672 573482881 /nfs/dbraw/zinc/48/28/81/573482881.db2.gz RRMUOIVATNOCPT-HTAVTVPLSA-N 2 0 196.338 2.021 10 0 AEAERP CCC(C)(C)C[NH2+][C@H]1C[NH2+]C(C)(C)C1 258676256 573482898 /nfs/dbraw/zinc/48/28/98/573482898.db2.gz COOGWKYGTRGBPO-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP CCC(CC)[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 686245041 573482984 /nfs/dbraw/zinc/48/29/84/573482984.db2.gz ZIFMXFYOFNQLSR-ZJUUUORDSA-N 2 0 198.354 2.009 10 0 AEAERP CCC(C)(C)C[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258676251 573482998 /nfs/dbraw/zinc/48/29/98/573482998.db2.gz COOGWKYGTRGBPO-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CCC(CC)[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 686245038 573483025 /nfs/dbraw/zinc/48/30/25/573483025.db2.gz ZIFMXFYOFNQLSR-NXEZZACHSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[N@H+](C)CC[C@@H]1CCCC[C@H]1[NH3+] 308597110 573484573 /nfs/dbraw/zinc/48/45/73/573484573.db2.gz ZIKHGFBIPISQOA-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+](C)CC[C@@H]1CCCC[C@@H]1[NH3+] 308597111 573484707 /nfs/dbraw/zinc/48/47/07/573484707.db2.gz ZIKHGFBIPISQOA-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 686245039 573487135 /nfs/dbraw/zinc/48/71/35/573487135.db2.gz ZIFMXFYOFNQLSR-UWVGGRQHSA-N 2 0 198.354 2.009 10 0 AEAERP CCCC[N@@H+]1C[C@@H](C[NH3+])CCC1(C)C 259470477 573487287 /nfs/dbraw/zinc/48/72/87/573487287.db2.gz QSGLYUSLYODKGG-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H]([NH2+]CCC[NH+](C)C)C1CC1 126377079 573488213 /nfs/dbraw/zinc/48/82/13/573488213.db2.gz WHPJECJOZJHVEZ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 83418003 573488485 /nfs/dbraw/zinc/48/84/85/573488485.db2.gz QIDICFLATUOPHB-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@H]([NH2+]CCC[NH+](C)C)C1CC1 126376850 573488581 /nfs/dbraw/zinc/48/85/81/573488581.db2.gz WHPJECJOZJHVEZ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP [NH3+][C@@H](C1CCCCC1)[C@H]1CCCC[NH2+]1 259474320 573488779 /nfs/dbraw/zinc/48/87/79/573488779.db2.gz RYNBGUUWWOOGQF-NEPJUHHUSA-N 2 0 196.338 2.036 10 0 AEAERP C[N@@H+]1CCC[C@@H]([NH2+]C2CCCC2)CC1 83417724 573488977 /nfs/dbraw/zinc/48/89/77/573488977.db2.gz BLDKWLLFGAHZHJ-GFCCVEGCSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 83418000 573489114 /nfs/dbraw/zinc/48/91/14/573489114.db2.gz QIDICFLATUOPHB-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C/C=C\[C@@H]1CCCC[N@@H+]1C(C)C 258040142 573489803 /nfs/dbraw/zinc/48/98/03/573489803.db2.gz CLOPODVAUWKIFV-VFFGBVLKSA-N 2 0 196.338 2.025 10 0 AEAERP C[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)C)CC1 83418454 573489883 /nfs/dbraw/zinc/48/98/83/573489883.db2.gz VXPZBWURNNWLQI-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](CC[C@H](C)[NH3+])c1ccccc1 259473460 573489966 /nfs/dbraw/zinc/48/99/66/573489966.db2.gz QESVHXGWWWFFPW-CMPLNLGQSA-N 2 0 192.306 2.075 10 0 AEAERP C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1(C)C 259474520 573490008 /nfs/dbraw/zinc/49/00/08/573490008.db2.gz QYVIZGYTADBDOR-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP [NH3+][C@@H](C1CCCCC1)[C@@H]1CCCC[NH2+]1 259474322 573491522 /nfs/dbraw/zinc/49/15/22/573491522.db2.gz RYNBGUUWWOOGQF-RYUDHWBXSA-N 2 0 196.338 2.036 10 0 AEAERP CC[NH+](CC)[C@H](C)[C@@H]1CCC[NH2+]CC1 257821619 573491669 /nfs/dbraw/zinc/49/16/69/573491669.db2.gz DMWGJTOMIZIKKF-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP C[N@@H+]1CCC[C@H]([NH2+]C2CCCC2)CC1 83417721 573491870 /nfs/dbraw/zinc/49/18/70/573491870.db2.gz BLDKWLLFGAHZHJ-LBPRGKRZSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)C)CC1 83418442 573491955 /nfs/dbraw/zinc/49/19/55/573491955.db2.gz VXPZBWURNNWLQI-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)[C@H](C)[C@H]1CCC[NH2+]CC1 257821614 573491968 /nfs/dbraw/zinc/49/19/68/573491968.db2.gz DMWGJTOMIZIKKF-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1(C)C 259474523 573492013 /nfs/dbraw/zinc/49/20/13/573492013.db2.gz QYVIZGYTADBDOR-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H](CC[C@@H](C)[NH3+])c1ccccc1 259473464 573492046 /nfs/dbraw/zinc/49/20/46/573492046.db2.gz QESVHXGWWWFFPW-PWSUYJOCSA-N 2 0 192.306 2.075 10 0 AEAERP CC(C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 83417996 573492062 /nfs/dbraw/zinc/49/20/62/573492062.db2.gz QIDICFLATUOPHB-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH+](CC)[C@@H](C)[C@H]1CCC[NH2+]CC1 257821618 573492167 /nfs/dbraw/zinc/49/21/67/573492167.db2.gz DMWGJTOMIZIKKF-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+]CC(C)(C)C1CCC1 258694232 573492517 /nfs/dbraw/zinc/49/25/17/573492517.db2.gz GCUTURWIJSNTKH-SNVBAGLBSA-N 2 0 198.354 2.140 10 0 AEAERP C[N@@H+]1CCCC[C@H]1C1([NH3+])CCCCC1 258041654 573492548 /nfs/dbraw/zinc/49/25/48/573492548.db2.gz OLELRCPMNNCOJE-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CC[NH+](CC)[C@@H](C)[C@@H]1CCC[NH2+]CC1 257821616 573492591 /nfs/dbraw/zinc/49/25/91/573492591.db2.gz DMWGJTOMIZIKKF-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+]1CC=C(CC[C@@H](C)[NH2+]C)CC1 258041727 573492614 /nfs/dbraw/zinc/49/26/14/573492614.db2.gz KSRUDISAWFXCEJ-LLVKDONJSA-N 2 0 196.338 2.027 10 0 AEAERP C[NH2+][C@@H](CC[C@H](C)[NH3+])c1ccccc1 259473462 573493149 /nfs/dbraw/zinc/49/31/49/573493149.db2.gz QESVHXGWWWFFPW-JQWIXIFHSA-N 2 0 192.306 2.075 10 0 AEAERP C[NH2+]CC(C)(C)[NH2+]CCCC(C)C 258687964 573493203 /nfs/dbraw/zinc/49/32/03/573493203.db2.gz BIICBGUENGEKPH-UHFFFAOYSA-N 2 0 186.343 2.010 10 0 AEAERP CC[N@H+]1CC=C(CC[C@H](C)[NH2+]C)CC1 258041729 573493369 /nfs/dbraw/zinc/49/33/69/573493369.db2.gz KSRUDISAWFXCEJ-NSHDSACASA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)(CC[NH3+])C[NH2+]C1CCCCC1 258687776 573494879 /nfs/dbraw/zinc/49/48/79/573494879.db2.gz IXLIWYOUXPOADE-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CCCCC[NH2+]CCCC(C)(C)[NH3+] 258704128 573497201 /nfs/dbraw/zinc/49/72/01/573497201.db2.gz KJBFSZYGIQIDDB-UHFFFAOYSA-N 2 0 186.343 2.284 10 0 AEAERP CC(C)CC[NH2+]CCC1CC[NH2+]CC1 258707052 573497783 /nfs/dbraw/zinc/49/77/83/573497783.db2.gz KNUNPDBMBRNZLZ-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CC[C@@H](C)[NH2+]CC1CCC([NH2+]C)CC1 258700673 573497806 /nfs/dbraw/zinc/49/78/06/573497806.db2.gz KCUJVQRVVUSLMO-VOMCLLRMSA-N 2 0 198.354 2.153 10 0 AEAERP CC1CC[NH+](CC(C)(C)CC[NH3+])CC1 258700573 573497935 /nfs/dbraw/zinc/49/79/35/573497935.db2.gz KBFWMTFVTZPDBE-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC1CCN(CC[NH2+]CC)CC1 50893600 573498716 /nfs/dbraw/zinc/49/87/16/573498716.db2.gz QKADYIULQUAXCI-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCC1(C[NH2+]C/C=C/C[NH3+])CCCC1 308607397 573498761 /nfs/dbraw/zinc/49/87/61/573498761.db2.gz WXKZGTFNEQIHTQ-AATRIKPKSA-N 2 0 196.338 2.061 10 0 AEAERP CC(C)([NH3+])C[NH2+]CC(C)(C)C1CCC1 258698514 573499567 /nfs/dbraw/zinc/49/95/67/573499567.db2.gz CACRFPYBTYSOQQ-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)[NH2+]CC1CCC([NH2+]C)CC1 258700669 573499430 /nfs/dbraw/zinc/49/94/30/573499430.db2.gz KCUJVQRVVUSLMO-UNXYVOJBSA-N 2 0 198.354 2.153 10 0 AEAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])cc1C 259481107 573502730 /nfs/dbraw/zinc/50/27/30/573502730.db2.gz SJLQHIGJDYPAHE-LBPRGKRZSA-N 2 0 192.306 2.042 10 0 AEAERP CC(C)C[C@H]([NH3+])/C=C\[C@H]([NH3+])CC(C)C 308399218 573501892 /nfs/dbraw/zinc/50/18/92/573501892.db2.gz VFJAEXJWQDHRKK-DLXAAPBESA-N 2 0 198.354 2.289 10 0 AEAERP CC(C)(CC[NH3+])[C@@H]([NH3+])C1CCCCC1 259479650 573502091 /nfs/dbraw/zinc/50/20/91/573502091.db2.gz SHUPZEMXGYMLIY-NSHDSACASA-N 2 0 198.354 2.269 10 0 AEAERP CC(C)(CC[NH3+])[C@H]([NH3+])C1CCCCC1 259479648 573504199 /nfs/dbraw/zinc/50/41/99/573504199.db2.gz SHUPZEMXGYMLIY-LLVKDONJSA-N 2 0 198.354 2.269 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1C/C=C\CC[NH3+] 258049068 573504208 /nfs/dbraw/zinc/50/42/08/573504208.db2.gz CYRVCHDWAODDQX-MVZIDQBPSA-N 2 0 196.338 2.156 10 0 AEAERP Cc1ccc([C@@H]([NH3+])C[C@@H](C)[NH3+])c(C)c1 259110491 573504291 /nfs/dbraw/zinc/50/42/91/573504291.db2.gz BLRUXLYYMWZNIK-PWSUYJOCSA-N 2 0 192.306 2.041 10 0 AEAERP CCC[C@H]1CCC[C@]([NH3+])(C[NH3+])CC1 83437699 573504329 /nfs/dbraw/zinc/50/43/29/573504329.db2.gz OKCBUPQTOMRLIK-WDEREUQCSA-N 2 0 184.327 2.023 10 0 AEAERP CCC[C@H]1CCC[C@@]([NH3+])(C[NH3+])CC1 83437701 573504563 /nfs/dbraw/zinc/50/45/63/573504563.db2.gz OKCBUPQTOMRLIK-QWRGUYRKSA-N 2 0 184.327 2.023 10 0 AEAERP CC/C=C(\C)C[NH+]1CCC(C[NH3+])CC1 308395914 573505815 /nfs/dbraw/zinc/50/58/15/573505815.db2.gz PEISRYLMDYTEST-NYYWCZLTSA-N 2 0 196.338 2.013 10 0 AEAERP CCCCC[N@@H+]1CCC[C@H]1C[C@H](C)[NH3+] 308602019 573509825 /nfs/dbraw/zinc/50/98/25/573509825.db2.gz VDMPLWIFMQYYCE-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@H](CC[NH3+])[N@@H+]1CCC[C@H](C)[C@@H]1C 50563687 573509985 /nfs/dbraw/zinc/50/99/85/573509985.db2.gz FQSQIKKWQFXVSW-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH+](C)CCC[NH2+]CCC1CCCC1 78526294 573511677 /nfs/dbraw/zinc/51/16/77/573511677.db2.gz LFTQLFGFLDFIKG-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCCCC[N@@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 308602023 573511335 /nfs/dbraw/zinc/51/13/35/573511335.db2.gz VDMPLWIFMQYYCE-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP C[N@H+]([C@@H]1CC[NH2+]C(C)(C)C1)C(C)(C)C 258730593 573513395 /nfs/dbraw/zinc/51/33/95/573513395.db2.gz HDJBNAGPQPXMSN-SNVBAGLBSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@H]1CCC[N@H+](CCCCC[NH3+])[C@@H]1C 50563651 573513447 /nfs/dbraw/zinc/51/34/47/573513447.db2.gz UOXYBPDHNJPATI-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH2+]CCCC[NH2+][C@H]1CC[C@@H]1C 308602830 573515803 /nfs/dbraw/zinc/51/58/03/573515803.db2.gz OTNWSOJWTFRYIA-RYUDHWBXSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H](CCCC[NH+](C)C)[NH2+]C1CCC1 308605137 573514968 /nfs/dbraw/zinc/51/49/68/573514968.db2.gz BNWBRZKLKMSDKQ-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C1CCCCC1)[C@@H](C)CC[NH3+] 259110996 573515776 /nfs/dbraw/zinc/51/57/76/573515776.db2.gz AVMRJKHWARVCST-JQWIXIFHSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+][C@H](C1CCC([NH3+])CC1)C(C)(C)C 259484938 573515890 /nfs/dbraw/zinc/51/58/90/573515890.db2.gz QWBNYLWCCZZGBD-VQXHTEKXSA-N 2 0 198.354 2.138 10 0 AEAERP C[NH2+][C@@H](C1CCCCC1)[C@H](C)CC[NH3+] 259111004 573516030 /nfs/dbraw/zinc/51/60/30/573516030.db2.gz AVMRJKHWARVCST-ZYHUDNBSSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CCCC[NH+](C)C)[NH2+]C1CCC1 308605131 573516056 /nfs/dbraw/zinc/51/60/56/573516056.db2.gz BNWBRZKLKMSDKQ-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H]([NH2+]C)C1 86618989 573516303 /nfs/dbraw/zinc/51/63/03/573516303.db2.gz POKOKGDJZHPUTN-QJPTWQEYSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H](C1CCC([NH3+])CC1)C(C)(C)C 259484934 573516317 /nfs/dbraw/zinc/51/63/17/573516317.db2.gz QWBNYLWCCZZGBD-ILDUYXDCSA-N 2 0 198.354 2.138 10 0 AEAERP CC1CC[NH+](C(C)(C)CCC[NH3+])CC1 308604073 573516433 /nfs/dbraw/zinc/51/64/33/573516433.db2.gz GEHVFBWNIAENAF-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@H]1CC[C@H]([N@@H+]2CCCC2(C)C)C1 86619446 573516558 /nfs/dbraw/zinc/51/65/58/573516558.db2.gz RVOVEADAMHRTAG-QWRGUYRKSA-N 2 0 196.338 2.001 10 0 AEAERP C[N@H+](C1CCC1)[C@@H]1CC[NH2+]C(C)(C)C1 258733489 573516625 /nfs/dbraw/zinc/51/66/25/573516625.db2.gz HGMROSFEHGLANJ-LLVKDONJSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H]1CC[C@@H]([N@H+](C)C2CCCC2)C1 86618723 573516687 /nfs/dbraw/zinc/51/66/87/573516687.db2.gz FRASXKLBFKNZSC-ZYHUDNBSSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H]1CC[C@H]([N@H+](C)C2CCCC2)C1 86618721 573516798 /nfs/dbraw/zinc/51/67/98/573516798.db2.gz FRASXKLBFKNZSC-PWSUYJOCSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)CC[N@H+](C)C(C)(C)CC[NH3+] 258735048 573516804 /nfs/dbraw/zinc/51/68/04/573516804.db2.gz FKGPFYRPXJJMEU-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CCC(=[NH2+])NC(C)(C)C[NH+](CC)CC 308605676 573516822 /nfs/dbraw/zinc/51/68/22/573516822.db2.gz IYRYKIGEKQXMMP-UHFFFAOYSA-N 2 0 199.342 2.084 10 0 AEAERP CC(C)[NH2+]CCCC[NH2+][C@@H]1CC[C@@H]1C 308602829 573516836 /nfs/dbraw/zinc/51/68/36/573516836.db2.gz OTNWSOJWTFRYIA-NWDGAFQWSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)[NH2+]CCCC[NH2+][C@H]1CC[C@H]1C 308602828 573517305 /nfs/dbraw/zinc/51/73/05/573517305.db2.gz OTNWSOJWTFRYIA-NEPJUHHUSA-N 2 0 198.354 2.153 10 0 AEAERP C[N@H+](C1CCC1)[C@H]1CC[NH2+]C(C)(C)C1 258733490 573517805 /nfs/dbraw/zinc/51/78/05/573517805.db2.gz HGMROSFEHGLANJ-NSHDSACASA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@H]1CC[C@H]([NH+]2CCCCCC2)C1 86618401 573518322 /nfs/dbraw/zinc/51/83/22/573518322.db2.gz NYHIXBRLUVDYAY-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C)C1 86618985 573518588 /nfs/dbraw/zinc/51/85/88/573518588.db2.gz XKEIQRURFSYJIV-TUAOUCFPSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H]1CC[C@H]([NH+]2CCCCCC2)C1 86618400 573520581 /nfs/dbraw/zinc/52/05/81/573520581.db2.gz NYHIXBRLUVDYAY-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)(C)C[NH2+][C@H]1CC[NH2+]C(C)(C)C1 258733479 573520612 /nfs/dbraw/zinc/52/06/12/573520612.db2.gz HGDUHMLUNNDFHM-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+][C@@H]1CC[C@@H]([NH+]2CCCCCC2)C1 86618402 573520641 /nfs/dbraw/zinc/52/06/41/573520641.db2.gz NYHIXBRLUVDYAY-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+][C@H]1CC[C@@H]([NH+]2CCCCCC2)C1 86618403 573520810 /nfs/dbraw/zinc/52/08/10/573520810.db2.gz NYHIXBRLUVDYAY-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)CC[NH2+]CCCC(C)(C)[NH3+] 258735287 573521244 /nfs/dbraw/zinc/52/12/44/573521244.db2.gz MZTNTVWMBHUXAU-UHFFFAOYSA-N 2 0 186.343 2.140 10 0 AEAERP CC[NH2+][C@H]1CC[C@@H]([NH+]2CCCCC2)C1 86618459 573522213 /nfs/dbraw/zinc/52/22/13/573522213.db2.gz ZRSKQSICQWWSBT-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@H]1CC[C@H]([NH+]2CCCCC2)C1 86618457 573523081 /nfs/dbraw/zinc/52/30/81/573523081.db2.gz ZRSKQSICQWWSBT-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 86618987 573523132 /nfs/dbraw/zinc/52/31/32/573523132.db2.gz XKEIQRURFSYJIV-QJPTWQEYSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H](CC[NH+](C)C)CC1(C)CCC1 308607299 573525134 /nfs/dbraw/zinc/52/51/34/573525134.db2.gz JEGHFCQFEJAOBU-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C1CCC([C@@H]([NH3+])C(C)(C)C)CC1 259487127 573525193 /nfs/dbraw/zinc/52/51/93/573525193.db2.gz SRGUUWVLRJFJDA-VQXHTEKXSA-N 2 0 198.354 2.138 10 0 AEAERP CC[NH+](CC)CC1CCC([NH2+]C)CC1 258743866 573525235 /nfs/dbraw/zinc/52/52/35/573525235.db2.gz NNSBWLNRBCOGAU-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[NH2+]CC1CCC([NH3+])CC1 258750250 573525820 /nfs/dbraw/zinc/52/58/20/573525820.db2.gz OBWGNTNMPLKJLZ-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H](CC1CC[NH2+]CC1)[NH+](C)C 259485860 573525826 /nfs/dbraw/zinc/52/58/26/573525826.db2.gz KWWHMEFYFGZFFD-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[NH2+]CC[C@H]1CCC[NH2+]C1 258743859 573525937 /nfs/dbraw/zinc/52/59/37/573525937.db2.gz NNHJLRJQEPKTKL-GFCCVEGCSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[C@H](CC1CC[NH2+]CC1)[NH+](C)C 259485858 573526349 /nfs/dbraw/zinc/52/63/49/573526349.db2.gz KWWHMEFYFGZFFD-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H](C(C)(C)C[NH3+])C1 259490790 573529912 /nfs/dbraw/zinc/52/99/12/573529912.db2.gz PNKRCHGCHVZKEP-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)[C@@H](C)C[C@H]1CCC[NH2+]C1 257827809 573527406 /nfs/dbraw/zinc/52/74/06/573527406.db2.gz GGHRWQNRVRDTKX-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCN1CCCC[C@H]1[C@@]1(C)CCC[NH2+]1 258051566 573527682 /nfs/dbraw/zinc/52/76/82/573527682.db2.gz DCMFLISDVAQRTG-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCN1CCCC[C@H]1[C@]1(C)CCC[NH2+]1 258051569 573527704 /nfs/dbraw/zinc/52/77/04/573527704.db2.gz DCMFLISDVAQRTG-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH+](CC)[C@H](C)C[C@H]1CCC[NH2+]C1 257827812 573527923 /nfs/dbraw/zinc/52/79/23/573527923.db2.gz GGHRWQNRVRDTKX-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)[C@H](C)C[C@@H]1CCC[NH2+]C1 257827807 573528243 /nfs/dbraw/zinc/52/82/43/573528243.db2.gz GGHRWQNRVRDTKX-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](CCC[NH3+])c1sccc1C 259490996 573528280 /nfs/dbraw/zinc/52/82/80/573528280.db2.gz RISKHROXVQAEOR-SECBINFHSA-N 2 0 198.335 2.056 10 0 AEAERP Cc1cccc([C@H]([NH3+])CC[C@H](C)[NH3+])c1 259491462 573528357 /nfs/dbraw/zinc/52/83/57/573528357.db2.gz SZIMNBAGPBYZBJ-CMPLNLGQSA-N 2 0 192.306 2.122 10 0 AEAERP C[C@H]1C[N@@H+](C2CCCC2)CCCCN1 259491639 573528380 /nfs/dbraw/zinc/52/83/80/573528380.db2.gz SEHONAQIMXUSTH-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CCCCC[NH2+]CCC1CC[NH2+]CC1 258681763 573528692 /nfs/dbraw/zinc/52/86/92/573528692.db2.gz IMZRJPJUJIOASF-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP Cc1cccc([C@@H]([NH3+])CC[C@@H](C)[NH3+])c1 259491464 573528793 /nfs/dbraw/zinc/52/87/93/573528793.db2.gz SZIMNBAGPBYZBJ-PWSUYJOCSA-N 2 0 192.306 2.122 10 0 AEAERP CC[NH+](CC)[C@@H](C)C[C@@H]1CCC[NH2+]C1 257827811 573530428 /nfs/dbraw/zinc/53/04/28/573530428.db2.gz GGHRWQNRVRDTKX-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP [NH3+]C1(CC[C@H]2CCC[NH2+]C2)CCCC1 258051766 573528916 /nfs/dbraw/zinc/52/89/16/573528916.db2.gz PCPIQHSPJMECBO-LLVKDONJSA-N 2 0 196.338 2.038 10 0 AEAERP C[C@@H]1C[N@@H+](C2CCCC2)CCCCN1 259491636 573528919 /nfs/dbraw/zinc/52/89/19/573528919.db2.gz SEHONAQIMXUSTH-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CC1(C)C[C@H]([NH2+]C2CCCCC2)C[NH2+]1 258760033 573529116 /nfs/dbraw/zinc/52/91/16/573529116.db2.gz PAGWLRDFXHXIBU-NSHDSACASA-N 2 0 196.338 2.049 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H](C(C)(C)C[NH3+])C1 259490793 573530441 /nfs/dbraw/zinc/53/04/41/573530441.db2.gz PNKRCHGCHVZKEP-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCN1CCCC[C@@H]1[C@@]1(C)CCC[NH2+]1 258051573 573529483 /nfs/dbraw/zinc/52/94/83/573529483.db2.gz DCMFLISDVAQRTG-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CCN1CCCC[C@@H]1[C@]1(C)CCC[NH2+]1 258051563 573529606 /nfs/dbraw/zinc/52/96/06/573529606.db2.gz DCMFLISDVAQRTG-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP Cc1cccc([C@H]([NH3+])CC[C@@H](C)[NH3+])c1 259491465 573529676 /nfs/dbraw/zinc/52/96/76/573529676.db2.gz SZIMNBAGPBYZBJ-ZYHUDNBSSA-N 2 0 192.306 2.122 10 0 AEAERP [NH3+]C1(CC[C@@H]2CCC[NH2+]C2)CCCC1 258051769 573530090 /nfs/dbraw/zinc/53/00/90/573530090.db2.gz PCPIQHSPJMECBO-NSHDSACASA-N 2 0 196.338 2.038 10 0 AEAERP C[NH2+][C@@H](CCC[NH3+])c1sccc1C 259491000 573530848 /nfs/dbraw/zinc/53/08/48/573530848.db2.gz RISKHROXVQAEOR-VIFPVBQESA-N 2 0 198.335 2.056 10 0 AEAERP CC[N@@H+]1CCCC[C@@H]1CC(C)(C)C[NH3+] 259494873 573533724 /nfs/dbraw/zinc/53/37/24/573533724.db2.gz QBPYUBAQPQDKTA-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@@H](C[C@@H]1CCC[NH2+]1)[NH+](C)C 259494092 573535205 /nfs/dbraw/zinc/53/52/05/573535205.db2.gz LIMOQBHLLBWTSY-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC1(C)C[C@@H]([NH2+]C2CCCCC2)C[NH2+]1 258760028 573532734 /nfs/dbraw/zinc/53/27/34/573532734.db2.gz PAGWLRDFXHXIBU-LLVKDONJSA-N 2 0 196.338 2.049 10 0 AEAERP Cc1cccc([C@@H]([NH3+])CC[C@H](C)[NH3+])c1 259491463 573532897 /nfs/dbraw/zinc/53/28/97/573532897.db2.gz SZIMNBAGPBYZBJ-JQWIXIFHSA-N 2 0 192.306 2.122 10 0 AEAERP CC[N@H+](CCC[C@@H](C)[NH3+])C(C)(C)C 394343766 573533031 /nfs/dbraw/zinc/53/30/31/573533031.db2.gz IOVOGBDGOQSMRB-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)C[C@H](C[C@H]1CCC[NH2+]1)[NH+](C)C 259494095 573534159 /nfs/dbraw/zinc/53/41/59/573534159.db2.gz LIMOQBHLLBWTSY-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1CC(C)(C)C[NH3+] 259494875 573534638 /nfs/dbraw/zinc/53/46/38/573534638.db2.gz QBPYUBAQPQDKTA-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)C[NH2+]C[C@]1(C)CC[NH2+]C1 130423718 573534741 /nfs/dbraw/zinc/53/47/41/573534741.db2.gz GLPKBPVWAJYPRL-GFCCVEGCSA-N 2 0 198.354 2.012 10 0 AEAERP CCC(CC)C[NH2+]CC[C@H]1CCC[NH2+]1 130423488 573534759 /nfs/dbraw/zinc/53/47/59/573534759.db2.gz LQSFNQARYJFQNI-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP C[NH2+][C@H](C[C@H]1CCCC[NH2+]1)C(C)(C)C 259493472 573534849 /nfs/dbraw/zinc/53/48/49/573534849.db2.gz RMXGDTKQAZTNIY-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C[C@@H]1CCC[NH2+]1)[NH+](C)C 259494090 573535328 /nfs/dbraw/zinc/53/53/28/573535328.db2.gz LIMOQBHLLBWTSY-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C[C@@H]1CCCC[NH2+]1)C(C)(C)C 259493477 573535949 /nfs/dbraw/zinc/53/59/49/573535949.db2.gz RMXGDTKQAZTNIY-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H](C[NH3+])CC[NH2+]CC1CCCCC1 258760745 573535960 /nfs/dbraw/zinc/53/59/60/573535960.db2.gz ADMFMJORWUHBCA-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP C[C@@H](C[NH3+])CC[NH2+]CC1CCCCC1 258760744 573538386 /nfs/dbraw/zinc/53/83/86/573538386.db2.gz ADMFMJORWUHBCA-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CCC(CC)C[NH2+]CC[C@@H]([NH3+])C1CC1 130427815 573538539 /nfs/dbraw/zinc/53/85/39/573538539.db2.gz YDIARBQQFVJKJZ-GFCCVEGCSA-N 2 0 198.354 2.140 10 0 AEAERP C/C=C/C[N@@H+](CCC)CC(C)(C)C[NH3+] 86640321 573539794 /nfs/dbraw/zinc/53/97/94/573539794.db2.gz LGVQNEWNPLTQIH-FNORWQNLSA-N 2 0 198.354 2.259 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@@H]1/C=C\CC[NH3+] 258056388 573540679 /nfs/dbraw/zinc/54/06/79/573540679.db2.gz DJYQNKXXCDFASL-MIBUCLJRSA-N 2 0 196.338 2.154 10 0 AEAERP CC1(C)C[C@H]([NH3+])CC[N@@H+]1C1CCCC1 259501529 573541265 /nfs/dbraw/zinc/54/12/65/573541265.db2.gz SYWQTHPGBZZJIB-SNVBAGLBSA-N 2 0 196.338 2.131 10 0 AEAERP CCCC1C[NH+](C(C)(C)CCC[NH3+])C1 308618065 573541387 /nfs/dbraw/zinc/54/13/87/573541387.db2.gz SFNQZTHCGYECON-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[N@@H+]1C[C@@H](CC[NH3+])CC1(C)C 259499974 573542872 /nfs/dbraw/zinc/54/28/72/573542872.db2.gz SXVKJQMRDYNOTL-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]CCC1CCCC1 258767928 573543415 /nfs/dbraw/zinc/54/34/15/573543415.db2.gz AKUBCRLYVQCYHC-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)C[N@H+](C)[C@@H]1CC[NH2+]C(C)(C)C1 258768215 573543440 /nfs/dbraw/zinc/54/34/40/573543440.db2.gz JVCZLPMKHWMUBV-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC1(C[C@H]([NH3+])CC[NH+](C)C)CCC1 308618676 573543710 /nfs/dbraw/zinc/54/37/10/573543710.db2.gz TXWQTZNDYVFMTK-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CCC[NH2+]CCC[C@H](C)[NH3+] 258768035 573543860 /nfs/dbraw/zinc/54/38/60/573543860.db2.gz ANZNVLQGBVYGDL-NSHDSACASA-N 2 0 186.343 2.140 10 0 AEAERP CCC1(C[C@@H]([NH3+])CC[NH+](C)C)CCC1 308618677 573544058 /nfs/dbraw/zinc/54/40/58/573544058.db2.gz TXWQTZNDYVFMTK-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[NH2+]CC[C@@H]1CCCC[C@H]1[NH3+] 308611103 573544116 /nfs/dbraw/zinc/54/41/16/573544116.db2.gz MPFTWLJLWBIUKA-NWDGAFQWSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]CCC1CCCC1 258767931 573544127 /nfs/dbraw/zinc/54/41/27/573544127.db2.gz AKUBCRLYVQCYHC-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](C)[N@@H+]1C[C@@H](CC[NH3+])CC1(C)C 259499977 573545437 /nfs/dbraw/zinc/54/54/37/573545437.db2.gz SXVKJQMRDYNOTL-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1(C)C 259503297 573547273 /nfs/dbraw/zinc/54/72/73/573547273.db2.gz TXXPMUMXDRWSPD-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[NH2+]CC[C@H]1CCCC[C@@H]1[NH3+] 308611101 573547299 /nfs/dbraw/zinc/54/72/99/573547299.db2.gz MPFTWLJLWBIUKA-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP CCCC[NH2+]CC[C@@H]1CCCC[C@@H]1[NH3+] 308611105 573547645 /nfs/dbraw/zinc/54/76/45/573547645.db2.gz MPFTWLJLWBIUKA-RYUDHWBXSA-N 2 0 198.354 2.284 10 0 AEAERP C[NH2+]C1CCC([N@@H+]2CCC[C@@H]2C)CC1 86658271 573547807 /nfs/dbraw/zinc/54/78/07/573547807.db2.gz AYVPUUYNKJPHIW-UNXYVOJBSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)([NH3+])CC[C@@H]([NH3+])c1cccs1 259503796 573551032 /nfs/dbraw/zinc/55/10/32/573551032.db2.gz UPMSJPBYLIYHHZ-MRVPVSSYSA-N 2 0 198.335 2.265 10 0 AEAERP C/C=C\CN1CCC[C@@H]([NH2+]C(C)C)C1 308629122 573551312 /nfs/dbraw/zinc/55/13/12/573551312.db2.gz YFAGUBYLNSMLIX-QMAVJUDZSA-N 2 0 196.338 2.025 10 0 AEAERP CCC[N@@H+]1CCC[C@H](C[NH2+]C)C1(C)C 259503294 573551399 /nfs/dbraw/zinc/55/13/99/573551399.db2.gz TXXPMUMXDRWSPD-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)[C@@H]1CC[NH2+]C2(CCC2)C1 86662825 573551492 /nfs/dbraw/zinc/55/14/92/573551492.db2.gz BOPGHMLWPZQQSQ-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH+](C)[C@H]1CC[NH2+]C2(CCCCC2)C1 86662848 573551698 /nfs/dbraw/zinc/55/16/98/573551698.db2.gz SAXRDSUXKYRILR-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)([NH3+])CC[C@H]([NH3+])c1cccs1 259503797 573552183 /nfs/dbraw/zinc/55/21/83/573552183.db2.gz UPMSJPBYLIYHHZ-QMMMGPOBSA-N 2 0 198.335 2.265 10 0 AEAERP C[NH+](C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 86662847 573552619 /nfs/dbraw/zinc/55/26/19/573552619.db2.gz SAXRDSUXKYRILR-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH+](CC)[C@H]1CC[NH2+]C2(CCC2)C1 86662826 573552636 /nfs/dbraw/zinc/55/26/36/573552636.db2.gz BOPGHMLWPZQQSQ-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP [NH3+]Cc1cnccc1Nc1ccccc1 258063021 573553108 /nfs/dbraw/zinc/55/31/08/573553108.db2.gz KWBDZWPFBHAFIW-UHFFFAOYSA-N 2 0 199.257 2.284 10 0 AEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(Cl)cc1 259120136 573553800 /nfs/dbraw/zinc/55/38/00/573553800.db2.gz BWLWCQIQOAXAED-JTQLQIEISA-N 2 0 198.697 2.079 10 0 AEAERP C[NH+]1CCC(CCCC(C)(C)[NH3+])CC1 259121131 573555542 /nfs/dbraw/zinc/55/55/42/573555542.db2.gz LSPXROLZDBXFMM-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 86678586 573556704 /nfs/dbraw/zinc/55/67/04/573556704.db2.gz XTMJWAYMMLDOGO-DCAQKATOSA-N 2 0 184.327 2.035 10 0 AEAERP [NH3+]C1(CCC[NH+]2CCCC2)CCCC1 258061089 573558798 /nfs/dbraw/zinc/55/87/98/573558798.db2.gz PSNUOJMRNODBLP-UHFFFAOYSA-N 2 0 196.338 2.134 10 0 AEAERP CCC(CC)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 224821154 573563474 /nfs/dbraw/zinc/56/34/74/573563474.db2.gz PRNLPMJWLDFSDF-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP Cc1ccc(C)c([C@@H]([NH3+])CCC[NH3+])c1 259511611 573565086 /nfs/dbraw/zinc/56/50/86/573565086.db2.gz VGJCGIOUDGZHFE-LBPRGKRZSA-N 2 0 192.306 2.042 10 0 AEAERP CC[C@@H](C)[NH2+]CC(C)(C)N1CCCC1 308624984 573566135 /nfs/dbraw/zinc/56/61/35/573566135.db2.gz VNWVTNCGODTEFJ-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCC[NH+](C)C 308625749 573566561 /nfs/dbraw/zinc/56/65/61/573566561.db2.gz WAGPEMSQINXSES-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CCN(CC)[C@H](C)C[NH2+][C@H]1CC[C@H]1C 308633474 573566596 /nfs/dbraw/zinc/56/65/96/573566596.db2.gz ZZSPMWYYKAXFPG-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C1CCC([N@@H+]2CC[C@@H]2C)CC1 86681037 573566713 /nfs/dbraw/zinc/56/67/13/573566713.db2.gz AMHLYJWINDLYSE-UNXYVOJBSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCC[NH+](C)C 308625747 573567956 /nfs/dbraw/zinc/56/79/56/573567956.db2.gz WAGPEMSQINXSES-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]1C[C@H]1[NH2+][C@H](C)CCC[NH+](C)C 308625746 573569149 /nfs/dbraw/zinc/56/91/49/573569149.db2.gz WAGPEMSQINXSES-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[NH2+]CC1CCC([NH3+])CC1 258781893 573570502 /nfs/dbraw/zinc/57/05/02/573570502.db2.gz QPNZXCOWMFMHPJ-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](C[NH2+][C@@H](C)C1CCC1)N(C)C 308625534 573570506 /nfs/dbraw/zinc/57/05/06/573570506.db2.gz VWILEJDYDFLMFC-CMPLNLGQSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[NH2+]CC(C)(C)N1CCCC1 308624985 573570519 /nfs/dbraw/zinc/57/05/19/573570519.db2.gz VNWVTNCGODTEFJ-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C[NH2+][C@@H](C)C1CCC1)N(C)C 308625535 573570572 /nfs/dbraw/zinc/57/05/72/573570572.db2.gz VWILEJDYDFLMFC-JQWIXIFHSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](C)CCC1([NH2+]C)CCCCC1 83632734 573574416 /nfs/dbraw/zinc/57/44/16/573574416.db2.gz XWUAKAVRIARGPL-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[NH2+][C@@H]1CCCC[C@H]1[NH2+]C(C)C 715938145 573576425 /nfs/dbraw/zinc/57/64/25/573576425.db2.gz JYHCHNNQVJCFPQ-VXGBXAGGSA-N 2 0 198.354 2.295 10 0 AEAERP CC(C)C[C@H](C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 308635907 573577641 /nfs/dbraw/zinc/57/76/41/573577641.db2.gz AWZLGMCERAGCLQ-SDDRHHMPSA-N 2 0 198.354 2.138 10 0 AEAERP C[NH2+]CCCC[NH2+]CCC1CCCC1 258792732 573577751 /nfs/dbraw/zinc/57/77/51/573577751.db2.gz CFCYJCNSAIXXIC-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP CCC(CC)C[NH2+]C[C@H]1CC[NH2+][C@@H]1C 130437075 573577748 /nfs/dbraw/zinc/57/77/48/573577748.db2.gz IDAZCQMDBKWQQK-ZYHUDNBSSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 308635911 573578018 /nfs/dbraw/zinc/57/80/18/573578018.db2.gz AWZLGMCERAGCLQ-TUAOUCFPSA-N 2 0 198.354 2.138 10 0 AEAERP CCC(CC)C[NH2+]C[C@H]1CC[C@H]([NH3+])C1 130434800 573578048 /nfs/dbraw/zinc/57/80/48/573578048.db2.gz WCSKZECFRYHXPU-RYUDHWBXSA-N 2 0 198.354 2.140 10 0 AEAERP CCN(CC1([NH2+]C)CCCC1)C(C)C 308636846 573578196 /nfs/dbraw/zinc/57/81/96/573578196.db2.gz BFKBBUOWSFCAHN-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[C@@H]([NH3+])C1 308635905 573578585 /nfs/dbraw/zinc/57/85/85/573578585.db2.gz AWZLGMCERAGCLQ-QJPTWQEYSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]1CC[N@H+](CC(C)(C)C(C)(C)[NH3+])C1 83645662 573578957 /nfs/dbraw/zinc/57/89/57/573578957.db2.gz XGWJQUASSKRAKY-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP C[N@H+](C1CCCCC1)C(C)(C)CC[NH3+] 258794550 573578974 /nfs/dbraw/zinc/57/89/74/573578974.db2.gz JNZGZPIRCGZKAE-UHFFFAOYSA-N 2 0 198.354 2.378 10 0 AEAERP CCC1(C[NH2+][C@H](C)CC[NH+](C)C)CC1 308635862 573579082 /nfs/dbraw/zinc/57/90/82/573579082.db2.gz AWGRXJYHQZFVDT-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCCc1[nH+]c([C@@H](C)CC[NH3+])[nH]c1C 258800364 573581614 /nfs/dbraw/zinc/58/16/14/573581614.db2.gz WRPCXQXCSCEAAG-QMMMGPOBSA-N 2 0 195.310 2.123 10 0 AEAERP C[C@H]1CCC[N@@H+]1CC(C)(C)C(C)(C)[NH3+] 83645615 573579207 /nfs/dbraw/zinc/57/92/07/573579207.db2.gz BRNRNGHNCMIWNB-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP CCC1(C[NH2+][C@@H](C)CC[NH+](C)C)CC1 308635864 573579449 /nfs/dbraw/zinc/57/94/49/573579449.db2.gz AWGRXJYHQZFVDT-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@H]1CCCC[C@@H]1[NH2+]C(C)C 715938128 573579464 /nfs/dbraw/zinc/57/94/64/573579464.db2.gz JYHCHNNQVJCFPQ-RYUDHWBXSA-N 2 0 198.354 2.295 10 0 AEAERP CCC(CC)C[NH2+]C[C@@H]1CC[NH2+][C@H]1C 130437269 573579767 /nfs/dbraw/zinc/57/97/67/573579767.db2.gz IDAZCQMDBKWQQK-JQWIXIFHSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H]([NH3+])c1ccc2c(c1)CCC[C@@H]2[NH3+] 238445574 573579827 /nfs/dbraw/zinc/57/98/27/573579827.db2.gz OEISVPFPFZIURH-UFBFGSQYSA-N 2 0 190.290 2.042 10 0 AEAERP CCC[NH2+][C@H]1CCCC[C@H]1[NH2+]C(C)C 715938125 573579837 /nfs/dbraw/zinc/57/98/37/573579837.db2.gz JYHCHNNQVJCFPQ-NWDGAFQWSA-N 2 0 198.354 2.295 10 0 AEAERP CC(C)[N@H+](C)CCCC(C)(C)C[NH3+] 83640718 573580373 /nfs/dbraw/zinc/58/03/73/573580373.db2.gz WBQBETNQYSCDSG-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CCC(CC)C[NH2+]CCCCC[NH3+] 130429281 573580566 /nfs/dbraw/zinc/58/05/66/573580566.db2.gz CDCVSYHXLDDVCF-UHFFFAOYSA-N 2 0 186.343 2.141 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CC(C)(C)C(C)(C)[NH3+] 83645613 573580858 /nfs/dbraw/zinc/58/08/58/573580858.db2.gz BRNRNGHNCMIWNB-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH2+][C@H](C)C1CCCCC1)[C@@H](C)[NH3+] 308637373 573581091 /nfs/dbraw/zinc/58/10/91/573581091.db2.gz BLOCXECDQSJXJN-OUAUKWLOSA-N 2 0 198.354 2.281 10 0 AEAERP CCC(CC)C[NH2+]C[C@@H]1CC[NH2+][C@@H]1C 130436874 573581111 /nfs/dbraw/zinc/58/11/11/573581111.db2.gz IDAZCQMDBKWQQK-PWSUYJOCSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]CC/C=C\C[C@H]1CCCC[N@@H+]1C 258065954 573583456 /nfs/dbraw/zinc/58/34/56/573583456.db2.gz FAGCXECHLGZVCA-MVZIDQBPSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@H]1CC[N@H+](CC(C)(C)C(C)(C)[NH3+])C1 83645665 573581447 /nfs/dbraw/zinc/58/14/47/573581447.db2.gz XGWJQUASSKRAKY-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C1(C[NH2+]C(C)(C)C)CCCCC1 308637397 573581521 /nfs/dbraw/zinc/58/15/21/573581521.db2.gz BMAMCWBMXXEQBU-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP C[NH2+]CC/C=C\C[C@@H]1CCCC[N@@H+]1C 258065957 573583489 /nfs/dbraw/zinc/58/34/89/573583489.db2.gz FAGCXECHLGZVCA-VSQXVHSFSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@H]([NH3+])c1ccc2c(c1)CCC[C@H]2[NH3+] 238445593 573582174 /nfs/dbraw/zinc/58/21/74/573582174.db2.gz OEISVPFPFZIURH-QPUJVOFHSA-N 2 0 190.290 2.042 10 0 AEAERP CCC(CC)C[NH2+]CCC[C@H](C)[NH3+] 130458411 573582455 /nfs/dbraw/zinc/58/24/55/573582455.db2.gz NRQROLSWMAHCNX-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)([NH3+])C(C)(C)C[NH+]1CCCCC1 83645502 573582552 /nfs/dbraw/zinc/58/25/52/573582552.db2.gz DCCDXTJDPCQBOX-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(CC[NH3+])[NH2+]CCC1CCCC1 258800742 573582687 /nfs/dbraw/zinc/58/26/87/573582687.db2.gz JZIYSIOTOBARGE-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP C[NH2+]CCCC[N@H+](C)CCC1CCC1 258802793 573583012 /nfs/dbraw/zinc/58/30/12/573583012.db2.gz DAPUPZLFLQDXFZ-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC(C)(C)[C@@H]([NH3+])c1cccc(C[NH3+])c1 259518142 573583222 /nfs/dbraw/zinc/58/32/22/573583222.db2.gz VPWRTEGGQYYKHB-NSHDSACASA-N 2 0 192.306 2.191 10 0 AEAERP C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1CCCCC1 308637375 573583255 /nfs/dbraw/zinc/58/32/55/573583255.db2.gz BLOCXECDQSJXJN-VWYCJHECSA-N 2 0 198.354 2.281 10 0 AEAERP CC(C)(C)[C@H]([NH3+])c1cccc(C[NH3+])c1 259518141 573583277 /nfs/dbraw/zinc/58/32/77/573583277.db2.gz VPWRTEGGQYYKHB-LLVKDONJSA-N 2 0 192.306 2.191 10 0 AEAERP CCC(CC)C[NH2+]CCC1([NH3+])CCC1 130455787 573584619 /nfs/dbraw/zinc/58/46/19/573584619.db2.gz BMZLVOWNJJXZOT-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)=CC[NH2+][C@H](C)CCC[NH+](C)C 308637382 573585386 /nfs/dbraw/zinc/58/53/86/573585386.db2.gz CUQIMZCYUNSKAT-GFCCVEGCSA-N 2 0 198.354 2.273 10 0 AEAERP C[C@@H](CC[NH+](C)C)[NH2+]CCC1(C)CC1 308637411 573586545 /nfs/dbraw/zinc/58/65/45/573586545.db2.gz CUXMWAYZATVKDY-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CCC[N@H+](C)CC1(C[NH3+])CC1 258805524 573586650 /nfs/dbraw/zinc/58/66/50/573586650.db2.gz AWIYAIHNTIJSMT-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP Cc1ccc([C@@H]([NH3+])CC[C@H](C)[NH3+])cc1 259521725 573589517 /nfs/dbraw/zinc/58/95/17/573589517.db2.gz VVRBWTZSRKJSNX-JQWIXIFHSA-N 2 0 192.306 2.122 10 0 AEAERP C[C@H](CC[NH3+])[N@@H+]1CCCC(C)(C)CC1 83680146 573589548 /nfs/dbraw/zinc/58/95/48/573589548.db2.gz VYLAZHXAUCWMFU-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](C[NH3+])C[N@@H+]1CCCC(C)(C)CC1 83680126 573589648 /nfs/dbraw/zinc/58/96/48/573589648.db2.gz LZBOQDWWUVNLEX-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH3+])C1(C)C 259520966 573590193 /nfs/dbraw/zinc/59/01/93/573590193.db2.gz VGXUYAFQCAGQHR-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](CC[NH3+])[N@@H+]1CCCC(C)(C)CC1 83680145 573591275 /nfs/dbraw/zinc/59/12/75/573591275.db2.gz VYLAZHXAUCWMFU-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](CC(C)C)C(C)(C)C1 259520999 573591796 /nfs/dbraw/zinc/59/17/96/573591796.db2.gz VHHXDSQHNHMWLQ-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP Cc1ccc([C@H]([NH3+])CC[C@@H](C)[NH3+])cc1 259521727 573593810 /nfs/dbraw/zinc/59/38/10/573593810.db2.gz VVRBWTZSRKJSNX-ZYHUDNBSSA-N 2 0 192.306 2.122 10 0 AEAERP C[C@H](C[NH3+])C[N@@H+]1CCCC(C)(C)CC1 83680129 573593827 /nfs/dbraw/zinc/59/38/27/573593827.db2.gz LZBOQDWWUVNLEX-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](C)[NH2+]C(C)(C)CCC[NH3+] 393539397 573593704 /nfs/dbraw/zinc/59/37/04/573593704.db2.gz RRWBJUSQXNROSX-JTQLQIEISA-N 2 0 186.343 2.282 10 0 AEAERP CCC(CC)C[NH2+]CC[C@H]([NH3+])CC 130467982 573595029 /nfs/dbraw/zinc/59/50/29/573595029.db2.gz LQSNEOKAGYYOMU-LLVKDONJSA-N 2 0 186.343 2.140 10 0 AEAERP CCN(C[C@]1(CC)CCC[NH2+]1)C(C)C 215405158 573595685 /nfs/dbraw/zinc/59/56/85/573595685.db2.gz DKLJMMYGUCJZSV-LBPRGKRZSA-N 2 0 198.354 2.249 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H](C[NH2+]C)[C@@H]1C 259136819 573595900 /nfs/dbraw/zinc/59/59/00/573595900.db2.gz DLLYUDBSKDSCMH-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@@H+]1CC[C@H](C[NH2+]C)[C@H]1C 259136821 573596462 /nfs/dbraw/zinc/59/64/62/573596462.db2.gz DLLYUDBSKDSCMH-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCN(CC)C[C@@]1(CC)CCC[NH2+]1 215364237 573596532 /nfs/dbraw/zinc/59/65/32/573596532.db2.gz YNRQEOBNBLPYAV-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@]1(CN(C)CC(C)C)CCC[NH2+]1 215370630 573597696 /nfs/dbraw/zinc/59/76/96/573597696.db2.gz SIMMSASNJLGPNA-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@@H+]1C[C@@H](C[NH3+])CC1(C)C 259523007 573597726 /nfs/dbraw/zinc/59/77/26/573597726.db2.gz VMDCXNUGVZBYDF-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CCCC[NH3+])[N@@H+]1CCCC1(C)C 308646521 573599098 /nfs/dbraw/zinc/59/90/98/573599098.db2.gz HQTGHPRJAJFSSG-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCCCC[N@@H+]1C[C@H](C[NH3+])CC1(C)C 259523011 573598990 /nfs/dbraw/zinc/59/89/90/573598990.db2.gz VMDCXNUGVZBYDF-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)CCCC[NH2+][C@@H](C)C1C[NH2+]C1 686243550 573600243 /nfs/dbraw/zinc/60/02/43/573600243.db2.gz GWPSRPBZOMNGLL-NSHDSACASA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@@H](C[NH3+])[C@@H]([NH3+])C1CCCCC1 259139191 573600798 /nfs/dbraw/zinc/60/07/98/573600798.db2.gz BAOHSRPTCARVJT-NEPJUHHUSA-N 2 0 198.354 2.125 10 0 AEAERP C[NH2+]CCC[NH2+]CC(C)(C)C1CCC1 258815621 573600931 /nfs/dbraw/zinc/60/09/31/573600931.db2.gz SWZFPFVCZRSBCD-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CC[C@]1(C[NH2+]CC(C)(C)C)CCC[NH2+]1 215407960 573601174 /nfs/dbraw/zinc/60/11/74/573601174.db2.gz LZOICIUQYUKABO-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@H](C)C[NH2+]C[C@@]1(CC)CCC[NH2+]1 215371341 573601386 /nfs/dbraw/zinc/60/13/86/573601386.db2.gz YJRHYEVVEZEEPM-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@]1(C[NH2+]CC(C)(C)C)CCC[NH2+]1 215408006 573601606 /nfs/dbraw/zinc/60/16/06/573601606.db2.gz LZOICIUQYUKABO-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@]1(CN(C)CC(C)C)CCC[NH2+]1 215370675 573601628 /nfs/dbraw/zinc/60/16/28/573601628.db2.gz SIMMSASNJLGPNA-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CCC[NH+](C)C)[NH2+]C1CC=CC1 308648377 573602892 /nfs/dbraw/zinc/60/28/92/573602892.db2.gz IZEUNUCWESKZQJ-NSHDSACASA-N 2 0 196.338 2.025 10 0 AEAERP CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])[C@@H]1C 308648907 573603162 /nfs/dbraw/zinc/60/31/62/573603162.db2.gz IWAHFYNWTXDVTL-ROHXPCBUSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1CCC[N@@H+]([C@H](C)CCCC[NH3+])C1 308647232 573603209 /nfs/dbraw/zinc/60/32/09/573603209.db2.gz HZDJSMQLMYCMJU-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](CCC[NH+](C)C)[NH2+]C1CC=CC1 308648375 573603577 /nfs/dbraw/zinc/60/35/77/573603577.db2.gz IZEUNUCWESKZQJ-LLVKDONJSA-N 2 0 196.338 2.025 10 0 AEAERP CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])[C@H]1C 308648904 573603736 /nfs/dbraw/zinc/60/37/36/573603736.db2.gz IWAHFYNWTXDVTL-HGCLJGPKSA-N 2 0 198.354 2.136 10 0 AEAERP CCC(CC)[NH2+]C[C@]1(C)C[NH2+]C[C@@H]1C 308647764 573603924 /nfs/dbraw/zinc/60/39/24/573603924.db2.gz IEDHHTKTPAIFIC-JQWIXIFHSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[N@@H+]1C[C@@H](CC[NH3+])CCC1(C)C 259525091 573604118 /nfs/dbraw/zinc/60/41/18/573604118.db2.gz VOEDQXSFBNFQEZ-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@H]1CC[C@H](C)CC1 308648918 573606210 /nfs/dbraw/zinc/60/62/10/573606210.db2.gz IWPFRTVZKGIIQT-XYPYZODXSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]1CC[C@@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1C 308648494 573604385 /nfs/dbraw/zinc/60/43/85/573604385.db2.gz IPKIWLULNLBUFN-IRCOFANPSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[N@@H+]1CCC(C)(C)[C@@H](C[NH3+])C1 259123217 573604701 /nfs/dbraw/zinc/60/47/01/573604701.db2.gz CGZMPQVIOZDGTD-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](CCC[NH2+]C1CC1)C[NH2+]C 213245717 573605360 /nfs/dbraw/zinc/60/53/60/573605360.db2.gz QMVSMUODZRMYDU-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H](CCC[NH2+]C1CC1)C[NH2+]C 213245770 573605534 /nfs/dbraw/zinc/60/55/34/573605534.db2.gz QMVSMUODZRMYDU-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1C 308649260 573605687 /nfs/dbraw/zinc/60/56/87/573605687.db2.gz JCOQZICXZKPJGA-MXWKQRLJSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])[C@@H]1C 308648906 573605827 /nfs/dbraw/zinc/60/58/27/573605827.db2.gz IWAHFYNWTXDVTL-OOCWMUITSA-N 2 0 198.354 2.136 10 0 AEAERP CCC(CC)[NH2+]C[C@@]1(C)C[NH2+]C[C@@H]1C 308647763 573605894 /nfs/dbraw/zinc/60/58/94/573605894.db2.gz IEDHHTKTPAIFIC-CMPLNLGQSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH3+])[C@H]1C 308649259 573606107 /nfs/dbraw/zinc/60/61/07/573606107.db2.gz JCOQZICXZKPJGA-HBNTYKKESA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1C 308649258 573606167 /nfs/dbraw/zinc/60/61/67/573606167.db2.gz JCOQZICXZKPJGA-GMTAPVOTSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[N@@H+]1CCC(C)(C)[C@H](C[NH3+])C1 259123215 573606435 /nfs/dbraw/zinc/60/64/35/573606435.db2.gz CGZMPQVIOZDGTD-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)[C@H]1C 308648493 573606468 /nfs/dbraw/zinc/60/64/68/573606468.db2.gz IPKIWLULNLBUFN-DDHJBXDOSA-N 2 0 198.354 2.138 10 0 AEAERP C[NH2+]CCC[C@@H]([NH2+]C)c1cccs1 259129661 573607620 /nfs/dbraw/zinc/60/76/20/573607620.db2.gz BPIQHLBXVVAAGT-SECBINFHSA-N 2 0 198.335 2.008 10 0 AEAERP CC[C@H](C[NH3+])[C@H]([NH2+]C)C1CCCCC1 259128053 573607854 /nfs/dbraw/zinc/60/78/54/573607854.db2.gz GTQHKSMYMCYQNZ-PWSUYJOCSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)([NH3+])CCCNc1cc[nH+]cc1 258820752 573608403 /nfs/dbraw/zinc/60/84/03/573608403.db2.gz FHPMJYXPDOACEW-UHFFFAOYSA-N 2 0 193.294 2.011 10 0 AEAERP CCC[C@H]([NH2+]C)c1cccc(C[NH3+])c1 259616326 573610842 /nfs/dbraw/zinc/61/08/42/573610842.db2.gz YQNXKKDBNNJPOI-LBPRGKRZSA-N 2 0 192.306 2.206 10 0 AEAERP CCC[C@@H]([NH2+]C)c1cccc(C[NH3+])c1 259616323 573610958 /nfs/dbraw/zinc/61/09/58/573610958.db2.gz YQNXKKDBNNJPOI-GFCCVEGCSA-N 2 0 192.306 2.206 10 0 AEAERP CC/C=C\[C@](CC)(C[NH3+])CCC[NH3+] 213390407 573612317 /nfs/dbraw/zinc/61/23/17/573612317.db2.gz GCWJLRBDRHOYMP-XOIDGJRKSA-N 2 0 184.327 2.047 10 0 AEAERP C[C@H]1[C@H](C)CC[C@H]1[NH2+]CCC(C)(C)[NH3+] 393667489 573614881 /nfs/dbraw/zinc/61/48/81/573614881.db2.gz DIXCGKLEFPLWSL-OUAUKWLOSA-N 2 0 198.354 2.138 10 0 AEAERP C[NH2+][C@@H](CCC(C)(C)[NH3+])C1CCCC1 259529889 573614980 /nfs/dbraw/zinc/61/49/80/573614980.db2.gz UQCJIADWBUABPC-NSHDSACASA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[N@@H+]1CCC[NH2+]C(C)(C)CC1 259530503 573617602 /nfs/dbraw/zinc/61/76/02/573617602.db2.gz VWJWHGBRHXUHNB-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@H](C)[N@H+](C)C1CC[NH2+]CC1 308644883 573620296 /nfs/dbraw/zinc/62/02/96/573620296.db2.gz GMTVCJLBULHXIM-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C/C=C\C[N@@H+]1CCC[NH2+][C@](C)(CC)C1 308407314 573618058 /nfs/dbraw/zinc/61/80/58/573618058.db2.gz ULOYCWWADTYYCL-TXNVCOODSA-N 2 0 196.338 2.027 10 0 AEAERP C[NH2+]C[C@H]1C[N@H+](C(C)(C)C)C(C)(C)C1 259528568 573618673 /nfs/dbraw/zinc/61/86/73/573618673.db2.gz VTYTXVJVZAINGA-JTQLQIEISA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C[C@@H]1C[N@H+](C(C)(C)C)C(C)(C)C1 259528572 573619758 /nfs/dbraw/zinc/61/97/58/573619758.db2.gz VTYTXVJVZAINGA-SNVBAGLBSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)C[NH+]1CCC[NH2+]CCC1 130519139 573620867 /nfs/dbraw/zinc/62/08/67/573620867.db2.gz RQUDHQUJWYWMFP-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCCCC[NH2+]CC[C@@H]1CCC[NH2+]C1 258822612 573624220 /nfs/dbraw/zinc/62/42/20/573624220.db2.gz VCQQYGYOVKPLTK-LBPRGKRZSA-N 2 0 198.354 2.156 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@H](C)C1CCCC1 308644175 573624427 /nfs/dbraw/zinc/62/44/27/573624427.db2.gz GAZUXJBBFZZGDI-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP CCCCC[NH2+]CC[C@H]1CCC[NH2+]C1 258822610 573624813 /nfs/dbraw/zinc/62/48/13/573624813.db2.gz VCQQYGYOVKPLTK-GFCCVEGCSA-N 2 0 198.354 2.156 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@@H](C)C1CCCC1 308644174 573624999 /nfs/dbraw/zinc/62/49/99/573624999.db2.gz GAZUXJBBFZZGDI-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+]C1(C[NH2+]C2(C)CC2)CCCCC1 308658376 573625122 /nfs/dbraw/zinc/62/51/22/573625122.db2.gz OPLBCERGXSNZCS-UHFFFAOYSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CC=CCC1 308650239 573626024 /nfs/dbraw/zinc/62/60/24/573626024.db2.gz KAFHEGKXDIAJOQ-RYUDHWBXSA-N 2 0 196.338 2.025 10 0 AEAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC=CCC1 308650238 573626246 /nfs/dbraw/zinc/62/62/46/573626246.db2.gz KAFHEGKXDIAJOQ-NWDGAFQWSA-N 2 0 196.338 2.025 10 0 AEAERP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H](C)CCCC[NH3+] 308660669 573630585 /nfs/dbraw/zinc/63/05/85/573630585.db2.gz PSDJSQUXEQVBOJ-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](CCCC[NH3+])[N@H+](C)C[C@H]1C[C@H]1C 308660668 573630757 /nfs/dbraw/zinc/63/07/57/573630757.db2.gz PSDJSQUXEQVBOJ-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 308659948 573631165 /nfs/dbraw/zinc/63/11/65/573631165.db2.gz PEPQUDQRYQOXIS-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H]([NH+](C)C)C1(C[NH2+]C)CCC1 259536268 573633188 /nfs/dbraw/zinc/63/31/88/573633188.db2.gz NMUPATMRHMQJKJ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H]([NH+](C)C)C1(C[NH2+]C)CCC1 259536264 573634010 /nfs/dbraw/zinc/63/40/10/573634010.db2.gz NMUPATMRHMQJKJ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)CC(C)(C)CC1([NH3+])CC1 258073174 573634064 /nfs/dbraw/zinc/63/40/64/573634064.db2.gz LPWAHSKCXNMNBC-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@@H](C1CCC([NH3+])CC1)[NH+](C)C 259536204 573635406 /nfs/dbraw/zinc/63/54/06/573635406.db2.gz NMKUERQAVRYAGE-MCIGGMRASA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@H](C1CCC([NH3+])CC1)[NH+](C)C 259536199 573636764 /nfs/dbraw/zinc/63/67/64/573636764.db2.gz NMKUERQAVRYAGE-HTAVTVPLSA-N 2 0 198.354 2.090 10 0 AEAERP CCCC[N@@H+]1CCC[NH2+]CC(C)(C)C1 259537935 573636897 /nfs/dbraw/zinc/63/68/97/573636897.db2.gz WLXWYUVNLZWRIQ-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@@]1(C)C[NH2+]C[C@H]1C 308651204 573636904 /nfs/dbraw/zinc/63/69/04/573636904.db2.gz KEYFMRDKPOXLQN-GRYCIOLGSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 126714357 573642744 /nfs/dbraw/zinc/64/27/44/573642744.db2.gz GQENWUUDWFSBLK-QJPTWQEYSA-N 2 0 198.354 2.090 10 0 AEAERP CCCCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C 308651238 573639660 /nfs/dbraw/zinc/63/96/60/573639660.db2.gz KGXYEIBJLXTYCZ-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP C[C@@H](CC[NH+](C)C)[NH2+]CCCC1CC1 308652899 573639792 /nfs/dbraw/zinc/63/97/92/573639792.db2.gz LZXRPRZZSAKCGA-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP Cc1ccccc1[C@@H]([NH3+])CC(C)(C)[NH3+] 259536503 573642790 /nfs/dbraw/zinc/64/27/90/573642790.db2.gz WTQRJKYCBMNQOX-NSHDSACASA-N 2 0 192.306 2.122 10 0 AEAERP C[C@H](CC[NH+](C)C)[NH2+]CCCC1CC1 308652898 573641366 /nfs/dbraw/zinc/64/13/66/573641366.db2.gz LZXRPRZZSAKCGA-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H](C[C@@H](C)C[NH3+])C1 259536898 573641510 /nfs/dbraw/zinc/64/15/10/573641510.db2.gz UYYNJCDVGYZEPX-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H](C[C@H](C)C[NH3+])C1 259536900 573641628 /nfs/dbraw/zinc/64/16/28/573641628.db2.gz UYYNJCDVGYZEPX-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC/C=C/CCC[NH2+]CCC[NH+](C)C 221763123 573641733 /nfs/dbraw/zinc/64/17/33/573641733.db2.gz BZDWAWQQWLNJOO-AATRIKPKSA-N 2 0 198.354 2.274 10 0 AEAERP CCCCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C 308651239 573641765 /nfs/dbraw/zinc/64/17/65/573641765.db2.gz KGXYEIBJLXTYCZ-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP Cc1ccccc1[C@H]([NH3+])CC(C)(C)[NH3+] 259536497 573641777 /nfs/dbraw/zinc/64/17/77/573641777.db2.gz WTQRJKYCBMNQOX-LLVKDONJSA-N 2 0 192.306 2.122 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H](C[C@H](C)C[NH3+])C1 259536899 573642120 /nfs/dbraw/zinc/64/21/20/573642120.db2.gz UYYNJCDVGYZEPX-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@]1(C)C[NH2+]C[C@H]1C 308651207 573642162 /nfs/dbraw/zinc/64/21/62/573642162.db2.gz KEYFMRDKPOXLQN-WOPDTQHZSA-N 2 0 198.354 2.010 10 0 AEAERP CCN(C)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C 86842169 573644530 /nfs/dbraw/zinc/64/45/30/573644530.db2.gz KFFAMBFBSQAQKG-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP Cc1nccn1-c1ccncc1Cl 86841438 573643664 /nfs/dbraw/zinc/64/36/64/573643664.db2.gz LUOBJIULWGLFQD-UHFFFAOYSA-N 2 0 193.637 2.229 10 0 AEAERP CCC1(C[NH2+][C@H](C)CCC[NH3+])CCC1 308654748 573643919 /nfs/dbraw/zinc/64/39/19/573643919.db2.gz MVJWUUXBGPEIHM-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)CC 43334697 573644051 /nfs/dbraw/zinc/64/40/51/573644051.db2.gz IAJBOPDOCPRHHT-MWLCHTKSSA-N 2 0 196.294 2.010 10 0 AEAERP CC(C)[NH2+]CC[NH2+][C@@H]1CCCC1(C)C 308654426 573645124 /nfs/dbraw/zinc/64/51/24/573645124.db2.gz NDBQJRQARXTAIL-LLVKDONJSA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@H](C)C1 308653841 573645210 /nfs/dbraw/zinc/64/52/10/573645210.db2.gz MEFJFLILUGCADY-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 126714557 573645571 /nfs/dbraw/zinc/64/55/71/573645571.db2.gz GQENWUUDWFSBLK-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)N(C)[C@@H](c1ccco1)[C@@H](C)[NH3+] 43334374 573645700 /nfs/dbraw/zinc/64/57/00/573645700.db2.gz BHLAIFXSUASJKT-MWLCHTKSSA-N 2 0 196.294 2.008 10 0 AEAERP CC(C)N(C)[C@H](c1ccco1)[C@@H](C)[NH3+] 43334375 573645965 /nfs/dbraw/zinc/64/59/65/573645965.db2.gz BHLAIFXSUASJKT-KOLCDFICSA-N 2 0 196.294 2.008 10 0 AEAERP CCCC(C)(C)C[NH2+]C1CC[NH2+]CC1 258832813 573646058 /nfs/dbraw/zinc/64/60/58/573646058.db2.gz DIAFQQDWFULMMN-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC=CCC1 308654012 573646265 /nfs/dbraw/zinc/64/62/65/573646265.db2.gz MFYPKIPNSIJEBN-NWDGAFQWSA-N 2 0 196.338 2.060 10 0 AEAERP CCCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C1 308653441 573646483 /nfs/dbraw/zinc/64/64/83/573646483.db2.gz LXDNOXSKNMRJRN-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C[NH3+])c1nc(C(C)C)c(C)[nH]1 258829255 573646506 /nfs/dbraw/zinc/64/65/06/573646506.db2.gz ZLSAJOMWFHESIG-SECBINFHSA-N 2 0 195.310 2.294 10 0 AEAERP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC=CCC1 308654011 573646614 /nfs/dbraw/zinc/64/66/14/573646614.db2.gz MFYPKIPNSIJEBN-NEPJUHHUSA-N 2 0 196.338 2.060 10 0 AEAERP CC(C)[NH2+]CC[NH2+][C@H]1CCCC1(C)C 308654427 573646793 /nfs/dbraw/zinc/64/67/93/573646793.db2.gz NDBQJRQARXTAIL-NSHDSACASA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 126714796 573646836 /nfs/dbraw/zinc/64/68/36/573646836.db2.gz GQENWUUDWFSBLK-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP C[NH2+]CC1(C[NH2+]CCC(C)(C)C)CC1 258829057 573646899 /nfs/dbraw/zinc/64/68/99/573646899.db2.gz CZIQHBKYGBUXLE-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC=CCC1 308654014 573646966 /nfs/dbraw/zinc/64/69/66/573646966.db2.gz MFYPKIPNSIJEBN-VXGBXAGGSA-N 2 0 196.338 2.060 10 0 AEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)CC 43334695 573646977 /nfs/dbraw/zinc/64/69/77/573646977.db2.gz IAJBOPDOCPRHHT-KOLCDFICSA-N 2 0 196.294 2.010 10 0 AEAERP C[C@@H](CCC[NH+](C)C)[NH2+][C@H]1CC1(C)C 308655573 573649392 /nfs/dbraw/zinc/64/93/92/573649392.db2.gz NWAJOPKRFBPNRR-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CCC[NH+](C)C)[NH2+][C@@H]1CC1(C)C 308655571 573649812 /nfs/dbraw/zinc/64/98/12/573649812.db2.gz NWAJOPKRFBPNRR-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](C)C[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86850904 573649971 /nfs/dbraw/zinc/64/99/71/573649971.db2.gz QAJCDHBWICCLMB-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](CCC[NH+](C)C)[NH2+][C@H](C)C1CC1 308658129 573650187 /nfs/dbraw/zinc/65/01/87/573650187.db2.gz OWPMLYAGLJDFRL-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H](CCC[NH+](C)C)[NH2+][C@H](C)C1CC1 308658132 573650451 /nfs/dbraw/zinc/65/04/51/573650451.db2.gz OWPMLYAGLJDFRL-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C)CC1=CCC[N@@H+](C(C)C)C1 258075231 573650472 /nfs/dbraw/zinc/65/04/72/573650472.db2.gz MNGHZTBTJJGREU-LLVKDONJSA-N 2 0 196.338 2.025 10 0 AEAERP C[C@H](CCC[NH+](C)C)[NH2+][C@H]1CC1(C)C 308655572 573650789 /nfs/dbraw/zinc/65/07/89/573650789.db2.gz NWAJOPKRFBPNRR-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@H+](C)CC(C)(C)CC[NH3+] 258843829 573654202 /nfs/dbraw/zinc/65/42/02/573654202.db2.gz XATGJMULEPXXGE-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CCCC[N@@H+]1CC[C@H](C[NH2+]C)C1(C)C 259543712 573654320 /nfs/dbraw/zinc/65/43/20/573654320.db2.gz WUSTVHLWBXVPHJ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC1(C)CCC[N@@H+]1CCC1([NH3+])CCC1 86854065 573654342 /nfs/dbraw/zinc/65/43/42/573654342.db2.gz UUMUXCXLUJPEMI-UHFFFAOYSA-N 2 0 196.338 2.132 10 0 AEAERP C[C@H]1CCCC[N@@H+]1CCC1([NH3+])CCC1 86853795 573654447 /nfs/dbraw/zinc/65/44/47/573654447.db2.gz JEUMZTSTTQJHAN-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP C[C@H]1CC[C@@H]1[NH2+][C@H](C)CCC[NH+](C)C 308664716 573659896 /nfs/dbraw/zinc/65/98/96/573659896.db2.gz RXBOBBUIERQXSY-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CCC[NH+](C)C)[NH2+][C@H]1CC[C@H]1C 308664717 573664934 /nfs/dbraw/zinc/66/49/34/573664934.db2.gz RXBOBBUIERQXSY-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH+](CC)[C@H](C)c1ccc(C[NH3+])o1 257842232 573660619 /nfs/dbraw/zinc/66/06/19/573660619.db2.gz MQWNVUQLDDUHTR-SECBINFHSA-N 2 0 196.294 2.141 10 0 AEAERP CC[C@@H](C)[C@H]([NH3+])C[N@H+](C)CCC1CC1 308664278 573662449 /nfs/dbraw/zinc/66/24/49/573662449.db2.gz ROBXMCVCVIXINM-ZYHUDNBSSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C1CCC(C[N@H+](C)C(C)C)CC1 258861164 573664425 /nfs/dbraw/zinc/66/44/25/573664425.db2.gz AAGVBIKPACINEV-UHFFFAOYSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[N@H+](C)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86871105 573666405 /nfs/dbraw/zinc/66/64/05/573666405.db2.gz ICUIKJQVZOFVML-GHMZBOCLSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H](CCCC[NH+](C)C)[NH2+][C@@H]1C[C@H]1C 308667344 573669753 /nfs/dbraw/zinc/66/97/53/573669753.db2.gz TWNYTETVNGTYFC-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)(CC[NH3+])C[NH+]1CCCCCC1 258862537 573669373 /nfs/dbraw/zinc/66/93/73/573669373.db2.gz YPVGDSLIDXIQPW-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP C[C@@H](CCCC[NH3+])[N@H+](C)[C@H](C)C1CC1 308661289 573669464 /nfs/dbraw/zinc/66/94/64/573669464.db2.gz PWSRBRYIYHGILZ-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C(C)C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126760036 573669702 /nfs/dbraw/zinc/66/97/02/573669702.db2.gz CBFKFLMOENYSKM-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP CCCC1(C[NH2+][C@H](C)CCC[NH3+])CC1 308661591 573669792 /nfs/dbraw/zinc/66/97/92/573669792.db2.gz QBSZSDILMASLNU-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC1(C)C[C@@H]([NH2+]C2CCCC2)CC[NH2+]1 258660174 573669865 /nfs/dbraw/zinc/66/98/65/573669865.db2.gz GMLDZGAIJLVRMQ-NSHDSACASA-N 2 0 196.338 2.049 10 0 AEAERP CCCC1(C[NH2+][C@@H](C)CCC[NH3+])CC1 308661592 573670282 /nfs/dbraw/zinc/67/02/82/573670282.db2.gz QBSZSDILMASLNU-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1C[C@H]1[NH2+][C@H](C)CCCC[NH+](C)C 308667345 573670398 /nfs/dbraw/zinc/67/03/98/573670398.db2.gz TWNYTETVNGTYFC-QJPTWQEYSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C[NH3+])C[NH2+]CCC1CCCC1 258860131 573670577 /nfs/dbraw/zinc/67/05/77/573670577.db2.gz AKNYYKHYSIRTJF-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP C[C@H]1c2ccc(C[NH3+])cc2[C@@H](C)[N@H+]1C 107928435 573670728 /nfs/dbraw/zinc/67/07/28/573670728.db2.gz GGXZJRMLFLKEJI-DTWKUNHWSA-N 2 0 190.290 2.213 10 0 AEAERP C[C@H]1C[C@@H]1[NH2+][C@H](C)CCCC[NH+](C)C 308667346 573670826 /nfs/dbraw/zinc/67/08/26/573670826.db2.gz TWNYTETVNGTYFC-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1c2cc(C[NH3+])ccc2[C@@H](C)[N@@H+]1C 107928426 573671950 /nfs/dbraw/zinc/67/19/50/573671950.db2.gz GGXZJRMLFLKEJI-BDAKNGLRSA-N 2 0 190.290 2.213 10 0 AEAERP CCC(C)(C)C[NH2+]CC1(C[NH2+]C)CC1 258869356 573672437 /nfs/dbraw/zinc/67/24/37/573672437.db2.gz HTNZDXAIOJKIBO-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CC[C@H](C[NH3+])C[NH2+]CCC1CCCC1 258860129 573672826 /nfs/dbraw/zinc/67/28/26/573672826.db2.gz AKNYYKHYSIRTJF-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[C@H]([NH3+])C1 86873412 573672860 /nfs/dbraw/zinc/67/28/60/573672860.db2.gz RFGGOEUGHRARLN-AXFHLTTASA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)CC[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 308662878 573673003 /nfs/dbraw/zinc/67/30/03/573673003.db2.gz QXTISYJFTAFGMD-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CC[NH2+][C@@H]1CC[C@H]([NH+](C)C)C1 308662872 573673540 /nfs/dbraw/zinc/67/35/40/573673540.db2.gz QXTISYJFTAFGMD-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CC[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 308662874 573673826 /nfs/dbraw/zinc/67/38/26/573673826.db2.gz QXTISYJFTAFGMD-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]1c2ccc(C[NH3+])cc2[C@@H](C)[N@H+]1C 107928432 573674924 /nfs/dbraw/zinc/67/49/24/573674924.db2.gz GGXZJRMLFLKEJI-RKDXNWHRSA-N 2 0 190.290 2.213 10 0 AEAERP C[C@H]1c2ccc(C[NH3+])cc2[C@H](C)[N@H+]1C 107928429 573675256 /nfs/dbraw/zinc/67/52/56/573675256.db2.gz GGXZJRMLFLKEJI-IUCAKERBSA-N 2 0 190.290 2.213 10 0 AEAERP CCC(CC)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 393548069 573678018 /nfs/dbraw/zinc/67/80/18/573678018.db2.gz KKIJFVRBLVOKGU-UTLUCORTSA-N 2 0 186.343 2.136 10 0 AEAERP CCC(CC)[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] 393548066 573680594 /nfs/dbraw/zinc/68/05/94/573680594.db2.gz KKIJFVRBLVOKGU-AEJSXWLSSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@@H]([NH3+])CCCC[N@H+](C)CCC1CC1 308668370 573682956 /nfs/dbraw/zinc/68/29/56/573682956.db2.gz UJQJRSXTHKTEJD-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[N@H+](CCC(C)(C)C)CC1(C[NH3+])CC1 258880176 573684172 /nfs/dbraw/zinc/68/41/72/573684172.db2.gz IWWVPUQODYAONE-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126788867 573684020 /nfs/dbraw/zinc/68/40/20/573684020.db2.gz LCQVSBGBIUZHPW-BJDJZHNGSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1(C)C 259170300 573685189 /nfs/dbraw/zinc/68/51/89/573685189.db2.gz ARHWPLQPTASMIZ-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](CCC(C)C)C1(C)C 259159620 573688540 /nfs/dbraw/zinc/68/85/40/573688540.db2.gz ACKOGQAYRZPVFN-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP [NH3+]C1(C[C@H]2CCCC[NH2+]2)CCCCC1 258093609 573688745 /nfs/dbraw/zinc/68/87/45/573688745.db2.gz RRCZZIIIJHAGKB-LLVKDONJSA-N 2 0 196.338 2.180 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1(C)C 259170302 573688786 /nfs/dbraw/zinc/68/87/86/573688786.db2.gz ARHWPLQPTASMIZ-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1(C)C 259170297 573689658 /nfs/dbraw/zinc/68/96/58/573689658.db2.gz ARHWPLQPTASMIZ-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC1(C)C[N@H+](C(C)(C)C)CC[C@H]1C[NH3+] 259170524 573691301 /nfs/dbraw/zinc/69/13/01/573691301.db2.gz GSSYORJHTBTZCR-JTQLQIEISA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C(C)(C)C1 259162121 573693767 /nfs/dbraw/zinc/69/37/67/573693767.db2.gz AEHDGFDRFKOEFG-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[NH2+]CC(C)(C)C1 259556861 573694056 /nfs/dbraw/zinc/69/40/56/573694056.db2.gz XPNOAVPBJDYBGZ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC1(C)C[N@H+](C(C)(C)C)CC[C@@H]1C[NH3+] 259170530 573694242 /nfs/dbraw/zinc/69/42/42/573694242.db2.gz GSSYORJHTBTZCR-SNVBAGLBSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CC(C)(C)[NH2+]C2(CCCCC2)N1 238481137 573694311 /nfs/dbraw/zinc/69/43/11/573694311.db2.gz KBRJKGFAJWSAEU-JTQLQIEISA-N 2 0 196.338 2.397 10 0 AEAERP CC(C)(CC[NH3+])[C@@H]([NH3+])c1ccccc1 259165860 573700882 /nfs/dbraw/zinc/70/08/82/573700882.db2.gz DTSWAZARSAPUQN-NSHDSACASA-N 2 0 192.306 2.061 10 0 AEAERP C[C@@H](CCCC[NH+](C)C)[NH2+]CC1CC1 308686172 573700317 /nfs/dbraw/zinc/70/03/17/573700317.db2.gz ZNNPDEQHANLFNX-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H](CCCC[NH+](C)C)[NH2+]CC1CC1 308686166 573701881 /nfs/dbraw/zinc/70/18/81/573701881.db2.gz ZNNPDEQHANLFNX-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCNCC[NH2+][C@]1(C)CCCC[C@@H]1C 308688735 573705024 /nfs/dbraw/zinc/70/50/24/573705024.db2.gz CCMALZIGPVBYDJ-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CC[NH+](CC)CCC[NH2+]CCC1CC1 83926311 573705126 /nfs/dbraw/zinc/70/51/26/573705126.db2.gz IEBNTWWTLSZTTQ-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCNCC[NH2+][C@@]1(C)CCCC[C@@H]1C 308688736 573707659 /nfs/dbraw/zinc/70/76/59/573707659.db2.gz CCMALZIGPVBYDJ-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@H](C)CCCC[NH3+] 393554764 573708638 /nfs/dbraw/zinc/70/86/38/573708638.db2.gz NOFAEDHJYYPMMX-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](C)[C@@H](C)CCCC[NH3+] 393554758 573710620 /nfs/dbraw/zinc/71/06/20/573710620.db2.gz NOFAEDHJYYPMMX-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H](C)[N@H+](C)[C@H](C)CCCC[NH3+] 393554755 573710329 /nfs/dbraw/zinc/71/03/29/573710329.db2.gz NOFAEDHJYYPMMX-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP C[NH2+]CCCC1=CCC[N@@H+](C(C)C)C1 258097755 573716736 /nfs/dbraw/zinc/71/67/36/573716736.db2.gz NTJRJQPELNJMFW-UHFFFAOYSA-N 2 0 196.338 2.027 10 0 AEAERP CC[C@]1(C[C@H]2CCCC[NH2+]2)CCC[NH2+]1 258104832 573721945 /nfs/dbraw/zinc/72/19/45/573721945.db2.gz HJDYXGZATUAIAD-VXGBXAGGSA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@]1(C[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 258104827 573722836 /nfs/dbraw/zinc/72/28/36/573722836.db2.gz HJDYXGZATUAIAD-NWDGAFQWSA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@@]1(C[C@H]2CCCC[NH2+]2)CCC[NH2+]1 258104824 573724609 /nfs/dbraw/zinc/72/46/09/573724609.db2.gz HJDYXGZATUAIAD-NEPJUHHUSA-N 2 0 196.338 2.051 10 0 AEAERP C[N@H+](CCC1CCC1)CCC(C)(C)[NH3+] 258891920 573726755 /nfs/dbraw/zinc/72/67/55/573726755.db2.gz LLVYWSWBLMRPJY-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H]1CC1([NH3+])CCC1 258108239 573729716 /nfs/dbraw/zinc/72/97/16/573729716.db2.gz SNCCMIZXUVTFHF-NSHDSACASA-N 2 0 196.338 2.131 10 0 AEAERP C[N@H+](CC(C)(C)CC[NH3+])C(C)(C)C 258894100 573730212 /nfs/dbraw/zinc/73/02/12/573730212.db2.gz LPLUXRNWLZJCCY-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+]C[C@@H](CC(C)C)N1CCCCC1 83983726 573733127 /nfs/dbraw/zinc/73/31/27/573733127.db2.gz BIPKTEDSEFJBHX-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCC=C(CC[C@H](C)[NH3+])C1 258109378 573734481 /nfs/dbraw/zinc/73/44/81/573734481.db2.gz OMJSDYJYBGMXGK-NSHDSACASA-N 2 0 196.338 2.154 10 0 AEAERP CC(C)(C[NH3+])C[C@@H]([NH3+])C1CCCCC1 259174050 573733515 /nfs/dbraw/zinc/73/35/15/573733515.db2.gz FABMMZVFOIAIEB-LLVKDONJSA-N 2 0 198.354 2.269 10 0 AEAERP CC(C)(C[NH3+])C[C@H]([NH3+])C1CCCCC1 259174053 573735791 /nfs/dbraw/zinc/73/57/91/573735791.db2.gz FABMMZVFOIAIEB-NSHDSACASA-N 2 0 198.354 2.269 10 0 AEAERP CC(C)CCC[NH2+]CC[C@@H]1CCC[NH2+]1 258896473 573735794 /nfs/dbraw/zinc/73/57/94/573735794.db2.gz CYFPRXQOGSRDDH-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[N@H+](C(C)C)[C@H](CC)C1C[NH2+]C1 716142874 573736907 /nfs/dbraw/zinc/73/69/07/573736907.db2.gz ITBCASXBWLFOSU-GFCCVEGCSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C 308693883 573737536 /nfs/dbraw/zinc/73/75/36/573737536.db2.gz SHBCHKXVUNPTNU-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C 308693884 573738118 /nfs/dbraw/zinc/73/81/18/573738118.db2.gz SHBCHKXVUNPTNU-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+][C@H]1CCCC[C@H]1C 308693882 573738152 /nfs/dbraw/zinc/73/81/52/573738152.db2.gz SHBCHKXVUNPTNU-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP [NH3+]C1(CC[C@@H]2CC[NH2+]C2)CCCCC1 258115092 573740485 /nfs/dbraw/zinc/74/04/85/573740485.db2.gz SVVGGRUCVKLSJQ-LLVKDONJSA-N 2 0 196.338 2.038 10 0 AEAERP CCC[N@H+](C(C)C)[C@@H](CC)C1C[NH2+]C1 716142879 573740912 /nfs/dbraw/zinc/74/09/12/573740912.db2.gz ITBCASXBWLFOSU-LBPRGKRZSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH+](CC)[C@@H](C)c1coc(C[NH3+])c1 257859200 573741511 /nfs/dbraw/zinc/74/15/11/573741511.db2.gz QPNMRGFWQMYBGG-VIFPVBQESA-N 2 0 196.294 2.141 10 0 AEAERP C[NH2+]CCC[NH2+][C@]1(C)CCCC[C@@H]1C 308698810 573741709 /nfs/dbraw/zinc/74/17/09/573741709.db2.gz QMCBQTYRRMDGNQ-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[C@]1(CC[NH+](C)C)CCCC[NH2+]1 258102033 573742370 /nfs/dbraw/zinc/74/23/70/573742370.db2.gz XXVHQLQOOSYUFD-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]CCC[NH2+][C@@]1(C)CCCC[C@H]1C 308698809 573743323 /nfs/dbraw/zinc/74/33/23/573743323.db2.gz QMCBQTYRRMDGNQ-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CC[NH+](CC)[C@H](C)CC1CC[NH2+]CC1 257861013 573743434 /nfs/dbraw/zinc/74/34/34/573743434.db2.gz ORONUCZUXSXZHG-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)[C@@H](C)CC1CC[NH2+]CC1 257861014 573743470 /nfs/dbraw/zinc/74/34/70/573743470.db2.gz ORONUCZUXSXZHG-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCCC[C@]1(C)[NH2+]CCCC[NH3+] 308703648 573749708 /nfs/dbraw/zinc/74/97/08/573749708.db2.gz WCEDXSMSFWYXFT-RYUDHWBXSA-N 2 0 198.354 2.284 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+]C[C@H]1CC[C@H](C)C1 308701408 573746914 /nfs/dbraw/zinc/74/69/14/573746914.db2.gz VCNVZGFBGKWMNC-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+]C[C@H]1CC[C@@H](C)C1 308701407 573748634 /nfs/dbraw/zinc/74/86/34/573748634.db2.gz VCNVZGFBGKWMNC-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]1CCCC[C@@]1(C)[NH2+]C/C=C\C[NH3+] 308704061 573749908 /nfs/dbraw/zinc/74/99/08/573749908.db2.gz XDHOOKCZKBLCBU-GKKDLHFNSA-N 2 0 196.338 2.060 10 0 AEAERP C[C@@H](CCCC[NH3+])[N@@H+]1CCCC[C@H]1C 308703452 573749470 /nfs/dbraw/zinc/74/94/70/573749470.db2.gz VUYLUDQDNPUZNO-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 258907845 573751764 /nfs/dbraw/zinc/75/17/64/573751764.db2.gz HYNNYWQSCKDCAI-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]1CC[C@@H](C)[N@H+](CC(C)(C)C[NH3+])C1 84053322 573752136 /nfs/dbraw/zinc/75/21/36/573752136.db2.gz CATJAQODXFQVEB-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CC[C@@H](C)[N@H+](CC(C)(C)C[NH3+])C1 84053325 573752402 /nfs/dbraw/zinc/75/24/02/573752402.db2.gz CATJAQODXFQVEB-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CCCC[C@]1(C)[NH2+]CCCC[NH3+] 308703645 573752593 /nfs/dbraw/zinc/75/25/93/573752593.db2.gz WCEDXSMSFWYXFT-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1CCCC[N@H+]1[C@H](C)CCCC[NH3+] 308703450 573752646 /nfs/dbraw/zinc/75/26/46/573752646.db2.gz VUYLUDQDNPUZNO-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 258907842 573752655 /nfs/dbraw/zinc/75/26/55/573752655.db2.gz HYNNYWQSCKDCAI-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@@]1(C)CCCC[C@@H]1C 308705116 573752758 /nfs/dbraw/zinc/75/27/58/573752758.db2.gz YRGJQHVRJMBVLK-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]([NH3+])C[NH2+][C@@]1(C)CCCC[C@@H]1C 308705117 573752883 /nfs/dbraw/zinc/75/28/83/573752883.db2.gz YRGJQHVRJMBVLK-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]1CCCC[C@@]1(C)[NH2+]C/C=C/C[NH3+] 308704062 573753009 /nfs/dbraw/zinc/75/30/09/573753009.db2.gz XDHOOKCZKBLCBU-IEVRTODYSA-N 2 0 196.338 2.060 10 0 AEAERP C[C@H](CCCC[NH3+])[N@@H+]1CCCC[C@H]1C 308703455 573753070 /nfs/dbraw/zinc/75/30/70/573753070.db2.gz VUYLUDQDNPUZNO-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)(C)[C@@H](C[NH3+])C[NH+]1CCCCC1 258121065 573759351 /nfs/dbraw/zinc/75/93/51/573759351.db2.gz LHWIGHNDJUQBRG-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H]1CC[C@@H](C)C[N@H+]1CC(C)(C)C[NH3+] 84053313 573757609 /nfs/dbraw/zinc/75/76/09/573757609.db2.gz CATJAQODXFQVEB-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@]1(CC[C@@H]2CCC[NH2+]2)CCCC[NH2+]1 258120939 573758491 /nfs/dbraw/zinc/75/84/91/573758491.db2.gz IIAXAROGRDPQJH-NWDGAFQWSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)[NH3+])C1 84052011 573758531 /nfs/dbraw/zinc/75/85/31/573758531.db2.gz VCDATTASOVYRFM-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1CC[C@@H](C)[N@H+](CCC(C)(C)[NH3+])C1 84052017 573758632 /nfs/dbraw/zinc/75/86/32/573758632.db2.gz VCDATTASOVYRFM-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+]1CCC(C/C=C\CC[NH3+])CC1 258121022 573759227 /nfs/dbraw/zinc/75/92/27/573759227.db2.gz ILYNVVGKLUIAPT-ARJAWSKDSA-N 2 0 196.338 2.013 10 0 AEAERP CC[C@H](C)[N@H+](CCC[NH3+])CC(C)C 43417262 573759246 /nfs/dbraw/zinc/75/92/46/573759246.db2.gz ASRJXYHIQPETIN-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H](CC[NH2+]C)C1 259182259 573759583 /nfs/dbraw/zinc/75/95/83/573759583.db2.gz LSEZWKODYBGWSP-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CC(C)(C)[C@H](C[NH3+])C[NH+]1CCCCC1 258121064 573759666 /nfs/dbraw/zinc/75/96/66/573759666.db2.gz LHWIGHNDJUQBRG-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@]1(CC[C@H]2CCC[NH2+]2)CCCC[NH2+]1 258120942 573759829 /nfs/dbraw/zinc/75/98/29/573759829.db2.gz IIAXAROGRDPQJH-VXGBXAGGSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@@]1(CC[C@@H]2CCC[NH2+]2)CCCC[NH2+]1 258120940 573759840 /nfs/dbraw/zinc/75/98/40/573759840.db2.gz IIAXAROGRDPQJH-RYUDHWBXSA-N 2 0 196.338 2.051 10 0 AEAERP C[NH2+]CC(C)(C)[NH2+]CCC1CCCC1 258918797 573762109 /nfs/dbraw/zinc/76/21/09/573762109.db2.gz UGQHDEFQUYBJLE-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP C[C@@H](C[NH3+])CC[N@H+](C)CCC1CCC1 258919117 573763439 /nfs/dbraw/zinc/76/34/39/573763439.db2.gz OHJZZYSPVMVITK-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]C1(C[NH2+]C2CCC2)CCCCC1 308710417 573764467 /nfs/dbraw/zinc/76/44/67/573764467.db2.gz YKKOPGGUUKRIJO-UHFFFAOYSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@H](C[NH3+])CC[N@H+](C)CCC1CCC1 258920712 573764646 /nfs/dbraw/zinc/76/46/46/573764646.db2.gz OHJZZYSPVMVITK-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](CCC[NH3+])[NH2+]CCC1=CCCC1 308709581 573765394 /nfs/dbraw/zinc/76/53/94/573765394.db2.gz XZNMIWWRAAZYGA-NSHDSACASA-N 2 0 196.338 2.204 10 0 AEAERP C[C@H](CCC[NH3+])[NH2+]CCC1CCCC1 308713129 573769178 /nfs/dbraw/zinc/76/91/78/573769178.db2.gz ZVRVOVBVOMLMDZ-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP Cc1ccc(C)c([C@@H]([NH3+])C[C@@H](C)[NH3+])c1 259179981 573771263 /nfs/dbraw/zinc/77/12/63/573771263.db2.gz FFKIZNLYRMXINE-PWSUYJOCSA-N 2 0 192.306 2.041 10 0 AEAERP CCCC(C)(C)C[NH2+]CC1CC([NH3+])C1 258934589 573771816 /nfs/dbraw/zinc/77/18/16/573771816.db2.gz HHJNCMUDTBKSEE-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CC[NH3+])C[NH2+]CC1CCCCC1 258940333 573771582 /nfs/dbraw/zinc/77/15/82/573771582.db2.gz QKAOSWOGOYTWFP-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC(C)(C)[N@@H+]1C[C@@H](C[NH3+])CCC1(C)C 259179111 573775931 /nfs/dbraw/zinc/77/59/31/573775931.db2.gz BBDPICQXIBFCPA-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](C[NH3+])CCC[N@@H+]1CCCC[C@H]1C 131161714 573775970 /nfs/dbraw/zinc/77/59/70/573775970.db2.gz WALHPXFKIWYLFO-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)[N@@H+]1C[C@H](C[NH3+])CCC1(C)C 259179108 573776118 /nfs/dbraw/zinc/77/61/18/573776118.db2.gz BBDPICQXIBFCPA-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](C[NH3+])CCC[NH+]1CCCCCC1 131163627 573776098 /nfs/dbraw/zinc/77/60/98/573776098.db2.gz BOPWXSGALJDHGF-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C1C[NH2+]C1 716170025 573777102 /nfs/dbraw/zinc/77/71/02/573777102.db2.gz ZHNUHQDKZHQMKA-UMNHJUIQSA-N 2 0 198.354 2.009 10 0 AEAERP CCCCCC[NH2+][C@@H](CC)C1C[NH2+]C1 716169822 573777248 /nfs/dbraw/zinc/77/72/48/573777248.db2.gz YHXAYDYRQUJFLO-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP C[C@H](N)[C@H]([N@H+](C)C1CCC1)C(C)(C)C 127157598 573777526 /nfs/dbraw/zinc/77/75/26/573777526.db2.gz NXJPRYYDPYSOLN-ONGXEEELSA-N 2 0 198.354 2.233 10 0 AEAERP CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C1C[NH2+]C1 716170017 573777878 /nfs/dbraw/zinc/77/78/78/573777878.db2.gz ZHNUHQDKZHQMKA-NHCYSSNCSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H](C[NH3+])CCC[N@H+](C)C1CCCC1 131176835 573777974 /nfs/dbraw/zinc/77/79/74/573777974.db2.gz USZHSMUTWJFAPO-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[NH2+][C@H]1CN(C(C)C)C[C@H]1C 308734115 573779330 /nfs/dbraw/zinc/77/93/30/573779330.db2.gz KRFZYYQCJMZVMH-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](C[NH2+]C(C)C)C1CCCCC1 259570003 573779410 /nfs/dbraw/zinc/77/94/10/573779410.db2.gz WQGNRSFCTUWGMX-GFCCVEGCSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCC[C@@H](C)C[NH3+] 131179790 573779424 /nfs/dbraw/zinc/77/94/24/573779424.db2.gz DQHFLKUWCSHUQZ-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP C[NH2+][C@@H](C[NH2+]C(C)C)C1CCCCC1 259570004 573779587 /nfs/dbraw/zinc/77/95/87/573779587.db2.gz WQGNRSFCTUWGMX-LBPRGKRZSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[N@H+](CC)CCC[C@@H](C)C[NH3+] 131177085 573779660 /nfs/dbraw/zinc/77/96/60/573779660.db2.gz KWQNBPCVMQFIDH-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[N@H+](CC)CCC[C@H](C)C[NH3+] 131177312 573780506 /nfs/dbraw/zinc/78/05/06/573780506.db2.gz KWQNBPCVMQFIDH-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CC(C)(C)CC[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258939443 573780597 /nfs/dbraw/zinc/78/05/97/573780597.db2.gz YIZVLEKSHFDPDI-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[NH2+][C@@H]1CN(C(C)C)C[C@H]1C 308734118 573780648 /nfs/dbraw/zinc/78/06/48/573780648.db2.gz KRFZYYQCJMZVMH-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@H+](CCCC(C)(C)C[NH3+])C1CCC1 127193857 573785551 /nfs/dbraw/zinc/78/55/51/573785551.db2.gz KRUNCJJKVMDYSB-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@]1(CC[NH+]2CCCC2)CCC[NH2+]1 258130146 573787930 /nfs/dbraw/zinc/78/79/30/573787930.db2.gz IXSQRCHAXKDIJX-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@H]([NH3+])C[C@H]([NH3+])c1ccc(Cl)cc1 259187906 573788327 /nfs/dbraw/zinc/78/83/27/573788327.db2.gz FMLJVRXBEHTPLN-XVKPBYJWSA-N 2 0 198.697 2.077 10 0 AEAERP CCCC[N@H+](CCC(N)=[NH2+])CC(C)C 43423031 573788353 /nfs/dbraw/zinc/78/83/53/573788353.db2.gz ZDIOXJXUJCDMCW-UHFFFAOYSA-N 2 0 199.342 2.071 10 0 AEAERP CC[C@@]1(CC[NH+]2CCCC2)CCC[NH2+]1 258130148 573788686 /nfs/dbraw/zinc/78/86/86/573788686.db2.gz IXSQRCHAXKDIJX-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP CCCC(C)(C)C[NH2+]CC(C)(C)[NH3+] 258943640 573788816 /nfs/dbraw/zinc/78/88/16/573788816.db2.gz WLDDAZVVGCILNK-UHFFFAOYSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@H](C)[N@H+](CCC(N)=[NH2+])CC(C)C 43423052 573790291 /nfs/dbraw/zinc/79/02/91/573790291.db2.gz CKKKXMUSWQACPL-JTQLQIEISA-N 2 0 199.342 2.069 10 0 AEAERP C[C@@H]([NH3+])C[C@H]([NH3+])c1ccc(Cl)cc1 259187901 573790476 /nfs/dbraw/zinc/79/04/76/573790476.db2.gz FMLJVRXBEHTPLN-XCBNKYQSSA-N 2 0 198.697 2.077 10 0 AEAERP CC[NH2+][C@H](C)C[C@@H](C)[N@H+](C)C1CCC1 127294178 573790534 /nfs/dbraw/zinc/79/05/34/573790534.db2.gz QKQLCVURQLJDQE-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H](C)C[C@H](C)[N@H+](C)C1CCC1 127294605 573793035 /nfs/dbraw/zinc/79/30/35/573793035.db2.gz QKQLCVURQLJDQE-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H]1CC[C@@H]([N@H+](C)C2CCC2)C1 127309481 573798105 /nfs/dbraw/zinc/79/81/05/573798105.db2.gz SMYRIVFAHSZHRU-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP CCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1[NH3+] 258950391 573797362 /nfs/dbraw/zinc/79/73/62/573797362.db2.gz KKKKBVUUTJSQIV-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+][C@@H]1CC[C@@H]([N@H+](C)C2CCC2)C1 127309282 573796681 /nfs/dbraw/zinc/79/66/81/573796681.db2.gz SMYRIVFAHSZHRU-ZYHUDNBSSA-N 2 0 196.338 2.001 10 0 AEAERP CCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1[NH3+] 258950387 573797277 /nfs/dbraw/zinc/79/72/77/573797277.db2.gz KKKKBVUUTJSQIV-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H]([NH2+]C)c1ccc(C[NH3+])cc1 259188605 573797391 /nfs/dbraw/zinc/79/73/91/573797391.db2.gz DXPFHSJTYGXBGQ-GFCCVEGCSA-N 2 0 192.306 2.206 10 0 AEAERP CC[NH2+][C@H]1CC[C@H]([N@H+](C)C2CCC2)C1 127309043 573798365 /nfs/dbraw/zinc/79/83/65/573798365.db2.gz SMYRIVFAHSZHRU-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)CCC[NH2+][C@H]1CCCC[C@H]1[NH3+] 258950473 573798526 /nfs/dbraw/zinc/79/85/26/573798526.db2.gz KLHQHDDIZYMNQO-NEPJUHHUSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1[NH3+] 258950389 573798627 /nfs/dbraw/zinc/79/86/27/573798627.db2.gz KKKKBVUUTJSQIV-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] 258950385 573800457 /nfs/dbraw/zinc/80/04/57/573800457.db2.gz KKKKBVUUTJSQIV-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)(C)[N@@H+]1C[C@H](CC[NH3+])CC1(C)C 259571197 573801766 /nfs/dbraw/zinc/80/17/66/573801766.db2.gz YPLVTIDZMVGRBW-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](C[NH3+])CCC[N@@H+]1CCCC1(C)C 131268590 573808427 /nfs/dbraw/zinc/80/84/27/573808427.db2.gz SLMZZJFREWBLDX-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](C[NH3+])CCC[N@H+](C)CC1CCC1 131261804 573808814 /nfs/dbraw/zinc/80/88/14/573808814.db2.gz VVFSBSCJCOUTPP-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C[NH3+])CCC[N@H+](C)CC1CCC1 131262014 573808974 /nfs/dbraw/zinc/80/89/74/573808974.db2.gz VVFSBSCJCOUTPP-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C[NH3+])CCC[N@@H+]1CCCC1(C)C 131268776 573809034 /nfs/dbraw/zinc/80/90/34/573809034.db2.gz SLMZZJFREWBLDX-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](C[NH3+])CCC[N@@H+]1CCC(C)(C)C1 131300957 573811236 /nfs/dbraw/zinc/81/12/36/573811236.db2.gz YYOCUXRGACEQNQ-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H](C[NH3+])CCC[N@@H+]1CCC(C)(C)C1 131300755 573811562 /nfs/dbraw/zinc/81/15/62/573811562.db2.gz YYOCUXRGACEQNQ-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C)CC1(C)C 259199442 573812541 /nfs/dbraw/zinc/81/25/41/573812541.db2.gz BXLLYPSTVUQPSJ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@@H+]1CC[C@H](C[NH2+]C)CC1(C)C 259199444 573814653 /nfs/dbraw/zinc/81/46/53/573814653.db2.gz BXLLYPSTVUQPSJ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@H](C/C=C\C[NH3+])C1 258144707 573814900 /nfs/dbraw/zinc/81/49/00/573814900.db2.gz JZESHDLUOLLKEN-VSQXVHSFSA-N 2 0 196.338 2.012 10 0 AEAERP C[C@H](C[NH3+])CCC[NH2+]C1(C)CCCC1 131289165 573815063 /nfs/dbraw/zinc/81/50/63/573815063.db2.gz DFYDERZNDHATGT-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H](C/C=C\C[NH3+])C1 258144705 573815874 /nfs/dbraw/zinc/81/58/74/573815874.db2.gz JZESHDLUOLLKEN-MVZIDQBPSA-N 2 0 196.338 2.012 10 0 AEAERP C[C@]1(CC[NH+]2CCCCC2)CCC[NH2+]1 258146495 573817347 /nfs/dbraw/zinc/81/73/47/573817347.db2.gz KASINTDVGLFIPV-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]CCC(C)(C)C 258962381 573816700 /nfs/dbraw/zinc/81/67/00/573816700.db2.gz SMCNCLQEGUTHPD-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP C[C@@H]([NH3+])CCC[NH2+]CCC(C)(C)C 258962382 573816913 /nfs/dbraw/zinc/81/69/13/573816913.db2.gz SMCNCLQEGUTHPD-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@H](C)[N@H+](C)CC[C@H]1CC[C@@H]([NH3+])C1 394404145 573816955 /nfs/dbraw/zinc/81/69/55/573816955.db2.gz DPDCGACFMKOFTF-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@]1(CC[NH+]2CCCCC2)CCC[NH2+]1 258146498 573818010 /nfs/dbraw/zinc/81/80/10/573818010.db2.gz KASINTDVGLFIPV-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP CC[C@H](C)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 308447525 573820424 /nfs/dbraw/zinc/82/04/24/573820424.db2.gz AAFSGPOKLQFEGP-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]1[C@@H](CC[NH3+])CCC[N@@H+]1C(C)C 107239095 573824261 /nfs/dbraw/zinc/82/42/61/573824261.db2.gz PBHQCUNIJYGPBV-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 308447522 573821753 /nfs/dbraw/zinc/82/17/53/573821753.db2.gz AAFSGPOKLQFEGP-QJPTWQEYSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@@H](C)CCCC[N@H+](C)C1CCC1 127340792 573824008 /nfs/dbraw/zinc/82/40/08/573824008.db2.gz IUQBLARGBHUCIO-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H](C)[N@H+](CCC[NH3+])C1CCC1 233275597 573826944 /nfs/dbraw/zinc/82/69/44/573826944.db2.gz JWISGAYUJAXSHD-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(C)(C)C[NH3+] 259573170 573829381 /nfs/dbraw/zinc/82/93/81/573829381.db2.gz YBINNMAGZHIUHP-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)(C)[NH2+]C[C@@H]1CCCCC[C@@H]1[NH3+] 87222503 573834444 /nfs/dbraw/zinc/83/44/44/573834444.db2.gz JVBORTQKSZSIMN-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP Cc1ccccc1[C@H]([NH3+])CC[C@@H](C)[NH3+] 259207207 573832738 /nfs/dbraw/zinc/83/27/38/573832738.db2.gz GHOXOAFEUYUVNY-ZYHUDNBSSA-N 2 0 192.306 2.122 10 0 AEAERP CC(C)(C)[NH2+]C[C@H]1CCCCC[C@@H]1[NH3+] 87222505 573832994 /nfs/dbraw/zinc/83/29/94/573832994.db2.gz JVBORTQKSZSIMN-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C(N)=[NH2+])[N@H+](CC(C)C)C(C)C 43541650 573833399 /nfs/dbraw/zinc/83/33/99/573833399.db2.gz LGKVJWGSBIBFHR-JTQLQIEISA-N 2 0 199.342 2.067 10 0 AEAERP CC(C)(C)[NH2+]C[C@@H]1CCCCC[C@H]1[NH3+] 87222507 573833552 /nfs/dbraw/zinc/83/35/52/573833552.db2.gz JVBORTQKSZSIMN-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP [NH3+][C@@H]1CCCCC[C@@H]1C[NH2+]C1CCC1 87222630 573833621 /nfs/dbraw/zinc/83/36/21/573833621.db2.gz UYRJGHZRTCVOBM-ZYHUDNBSSA-N 2 0 196.338 2.036 10 0 AEAERP Cc1ccccc1[C@@H]([NH3+])CC[C@H](C)[NH3+] 259207199 573833651 /nfs/dbraw/zinc/83/36/51/573833651.db2.gz GHOXOAFEUYUVNY-JQWIXIFHSA-N 2 0 192.306 2.122 10 0 AEAERP CC(C)C[C@H]([NH3+])c1cccc(C[NH3+])c1 259573591 573833755 /nfs/dbraw/zinc/83/37/55/573833755.db2.gz YSXMIZUDTAYASG-LBPRGKRZSA-N 2 0 192.306 2.191 10 0 AEAERP [NH3+][C@H](C[NH2+]C1CCC1)C1CCCCC1 258153652 573833930 /nfs/dbraw/zinc/83/39/30/573833930.db2.gz HHVJJFZNGSBSPI-GFCCVEGCSA-N 2 0 196.338 2.036 10 0 AEAERP Cc1ccccc1[C@H]([NH3+])CC[C@H](C)[NH3+] 259207194 573834289 /nfs/dbraw/zinc/83/42/89/573834289.db2.gz GHOXOAFEUYUVNY-CMPLNLGQSA-N 2 0 192.306 2.122 10 0 AEAERP [NH3+][C@H]1CCCCC[C@@H]1C[NH2+]C1CCC1 87222634 573836151 /nfs/dbraw/zinc/83/61/51/573836151.db2.gz UYRJGHZRTCVOBM-PWSUYJOCSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CCC[NH3+] 233276530 573836223 /nfs/dbraw/zinc/83/62/23/573836223.db2.gz UFZRFUSDYQEIPH-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[C@@H](C[NH3+])c1nc(C2CCC2)c[nH]1 259208405 573836317 /nfs/dbraw/zinc/83/63/17/573836317.db2.gz YEMAIOUYUNBXOE-QMMMGPOBSA-N 2 0 193.294 2.130 10 0 AEAERP Cc1ccccc1[C@@H]([NH3+])CC[C@@H](C)[NH3+] 259207205 573836551 /nfs/dbraw/zinc/83/65/51/573836551.db2.gz GHOXOAFEUYUVNY-PWSUYJOCSA-N 2 0 192.306 2.122 10 0 AEAERP CC[C@H](C[NH3+])[C@@H](C1CCCC1)[NH+](C)C 259573568 573836580 /nfs/dbraw/zinc/83/65/80/573836580.db2.gz PJYVJFOPEQSBHY-PWSUYJOCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)(C[NH2+]CCC[NH3+])C1=CCCC1 308763844 573836883 /nfs/dbraw/zinc/83/68/83/573836883.db2.gz JRIJEYQQZOOTBT-UHFFFAOYSA-N 2 0 196.338 2.061 10 0 AEAERP CC[C@@H](C[NH3+])[C@@H](C1CCCC1)[NH+](C)C 259573565 573836959 /nfs/dbraw/zinc/83/69/59/573836959.db2.gz PJYVJFOPEQSBHY-JQWIXIFHSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@@H]([NH3+])[C@H](C)CC 308448615 573837246 /nfs/dbraw/zinc/83/72/46/573837246.db2.gz BMPRPVAAYNOVEW-DDHJBXDOSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H](C)[NH2+][C@H](C)CC[NH+]1CCCC1 308761553 573840728 /nfs/dbraw/zinc/84/07/28/573840728.db2.gz YCKKBWNMKNNKBA-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[NH2+][C@@H](C)CC[NH+]1CCCC1 308761538 573841501 /nfs/dbraw/zinc/84/15/01/573841501.db2.gz YCKKBWNMKNNKBA-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H](C[NH3+])C[NH2+][C@]1(C)CCCC[C@H]1C 308760394 573843657 /nfs/dbraw/zinc/84/36/57/573843657.db2.gz WXIUPXKTTBTMGH-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1C[NH+]([C@@H](C)CCCC[NH3+])C[C@H]1C 393669274 573844948 /nfs/dbraw/zinc/84/49/48/573844948.db2.gz CDOTUPLVUKEISH-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1CC(C)(C)CC[NH3+] 308451875 573848635 /nfs/dbraw/zinc/84/86/35/573848635.db2.gz COSVBLNLHRCUKX-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP Cc1ccc([C@H]([NH3+])CCC(C)(C)[NH3+])o1 259210105 573848424 /nfs/dbraw/zinc/84/84/24/573848424.db2.gz GJNQDGNYLVYIPX-SECBINFHSA-N 2 0 196.294 2.105 10 0 AEAERP C[C@@]1(CC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 258154029 573850493 /nfs/dbraw/zinc/85/04/93/573850493.db2.gz KMLVQVSSUXOGKC-NEPJUHHUSA-N 2 0 196.338 2.051 10 0 AEAERP C[NH+](C)[C@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 259213059 573850530 /nfs/dbraw/zinc/85/05/30/573850530.db2.gz AGSQAJKHYVFKNX-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[NH2+]CCC[C@@H]1CCC[NH2+]C1 43591952 573851529 /nfs/dbraw/zinc/85/15/29/573851529.db2.gz RCBXLVZPLPUAPT-GFCCVEGCSA-N 2 0 198.354 2.156 10 0 AEAERP C[C@@]1(CC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 258154036 573851717 /nfs/dbraw/zinc/85/17/17/573851717.db2.gz KMLVQVSSUXOGKC-RYUDHWBXSA-N 2 0 196.338 2.051 10 0 AEAERP CC(C)[N@H+](C)CCC[C@@H]1CCC[NH2+]C1 43591772 573852239 /nfs/dbraw/zinc/85/22/39/573852239.db2.gz OEMYVHREYLSEOQ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@@H+]1CC[C@H](CC[NH3+])C1(C)C 259575075 573854494 /nfs/dbraw/zinc/85/44/94/573854494.db2.gz YWSJZTFABBCKAI-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H](CC[NH3+])C1(C)C 259212729 573853688 /nfs/dbraw/zinc/85/36/88/573853688.db2.gz CQHCWYISLURNLV-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@]1([C@@H]2CCC[N@@H+]2C)CCCC[NH2+]1 258161305 573853767 /nfs/dbraw/zinc/85/37/67/573853767.db2.gz KYFHFUHJNGKWBX-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@]1(CC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 258154039 573853890 /nfs/dbraw/zinc/85/38/90/573853890.db2.gz KMLVQVSSUXOGKC-VXGBXAGGSA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@@]1([C@H]2CCC[N@@H+]2C)CCCC[NH2+]1 258161304 573853977 /nfs/dbraw/zinc/85/39/77/573853977.db2.gz KYFHFUHJNGKWBX-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[N@@H+]1CC[C@@H](CC[NH3+])C1(C)C 259575073 573853992 /nfs/dbraw/zinc/85/39/92/573853992.db2.gz YWSJZTFABBCKAI-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@]1([C@H]2CCC[N@@H+]2C)CCCC[NH2+]1 258161307 573854110 /nfs/dbraw/zinc/85/41/10/573854110.db2.gz KYFHFUHJNGKWBX-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@H+](CC(C)(C)C)C(C)(C)CC[NH3+] 258969474 573854268 /nfs/dbraw/zinc/85/42/68/573854268.db2.gz YOYSISVLKLIVET-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@H+](C)CCC[C@@H]1CCC[NH2+]C1 43591864 573855529 /nfs/dbraw/zinc/85/55/29/573855529.db2.gz HCXRZPUDOVUQBZ-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[NH2+][C@@H](C)CC[NH+](CC)CC 43809714 573860769 /nfs/dbraw/zinc/86/07/69/573860769.db2.gz IGRDTYFQUWPXET-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@H]([NH2+]C)[C@@H](CC)[NH+]1CCCC1 43807144 573862906 /nfs/dbraw/zinc/86/29/06/573862906.db2.gz FQODTKGICHRHQM-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)CC[N@@H+]1CCCC[C@@H]1C 43810189 573863288 /nfs/dbraw/zinc/86/32/88/573863288.db2.gz YAHBRLVBXASXGZ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[NH2+]CC[C@@H]1CC[C@@H]([NH3+])C1 308458172 573863915 /nfs/dbraw/zinc/86/39/15/573863915.db2.gz CKZDTUHEXNEDDC-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)[NH+]1CCCC1 43807145 573863979 /nfs/dbraw/zinc/86/39/79/573863979.db2.gz FQODTKGICHRHQM-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH+]1CCC(C)CC1 43806785 573864022 /nfs/dbraw/zinc/86/40/22/573864022.db2.gz GKKGAZHSLNVUBZ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@@H](C)[C@@H](C)N(CC)C1CC1 43822414 573870822 /nfs/dbraw/zinc/87/08/22/573870822.db2.gz XDTVQLDUCPQKPI-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCC(C)(C)C[NH2+]C(C)(C)C[NH2+]C 258974560 573867855 /nfs/dbraw/zinc/86/78/55/573867855.db2.gz ZFNLORXQGGRNFO-UHFFFAOYSA-N 2 0 186.343 2.010 10 0 AEAERP CCC1CC[NH+](CC[C@H](C)[NH2+]C)CC1 43913314 573867937 /nfs/dbraw/zinc/86/79/37/573867937.db2.gz GZYNBVKNZGFAKG-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCN(C)[C@@H]1CCCC[C@@H]1[NH2+]CC 43886176 573867959 /nfs/dbraw/zinc/86/79/59/573867959.db2.gz FAUWANWBHQCWOC-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@@H](CC)[C@H](C)N(C)C1CC1 43823599 573868237 /nfs/dbraw/zinc/86/82/37/573868237.db2.gz RKYDNYWJURLMBZ-JQWIXIFHSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N(C)C1CC1 43823593 573868433 /nfs/dbraw/zinc/86/84/33/573868433.db2.gz RKYDNYWJURLMBZ-PWSUYJOCSA-N 2 0 198.354 2.247 10 0 AEAERP CCCN(CC)[C@@H]1CCC[C@@H]1[NH2+]CC 43884545 573868598 /nfs/dbraw/zinc/86/85/98/573868598.db2.gz KWFKKHIATDWDAX-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)N(C)[C@@H](C)[C@@H](CC)[NH2+]C 43887231 573868685 /nfs/dbraw/zinc/86/86/85/573868685.db2.gz NTEDYLRGMNQCGV-GARJFASQSA-N 2 0 186.343 2.103 10 0 AEAERP CC[NH2+][C@H](CC)[C@@H](C)N(C)CC1CC1 43905840 573868762 /nfs/dbraw/zinc/86/87/62/573868762.db2.gz XQXDRXZDMOAJQB-ZYHUDNBSSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCN(C)[C@H](C)[C@@H](CC)[NH2+]C 43816711 573868862 /nfs/dbraw/zinc/86/88/62/573868862.db2.gz JBRCABTZIODEJP-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@H](C)[C@H](C)N(CC)C1CC1 43822425 573868909 /nfs/dbraw/zinc/86/89/09/573868909.db2.gz XDTVQLDUCPQKPI-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CCCCN(CC)[C@H](C)[C@@H](C)[NH2+]C 43817565 573869069 /nfs/dbraw/zinc/86/90/69/573869069.db2.gz JCZGRFPPYCLISP-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CCCCN(C[C@H](C)[NH2+]CC)C1CC1 43968152 573869097 /nfs/dbraw/zinc/86/90/97/573869097.db2.gz XCUPAZZJEZMONG-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCCN(CCC)[C@@H](C)[C@@H](C)[NH2+]C 43814749 573869143 /nfs/dbraw/zinc/86/91/43/573869143.db2.gz WNYMGQGEBWWHPZ-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CC[C@@H]([NH2+]C)[C@H](C)N(C)[C@@H](C)C1CC1 43894685 573869438 /nfs/dbraw/zinc/86/94/38/573869438.db2.gz AUGFWLAJEUWGIF-JBLDHEPKSA-N 2 0 198.354 2.103 10 0 AEAERP CC[C@H]([NH2+]C)[C@@H](C)N(C)C1CCCC1 43883605 573869460 /nfs/dbraw/zinc/86/94/60/573869460.db2.gz UCBBJDOYNAPLMM-PWSUYJOCSA-N 2 0 198.354 2.247 10 0 AEAERP CCCCN(C)[C@H](C)[C@@H](C)[NH2+]CC 43817069 573869515 /nfs/dbraw/zinc/86/95/15/573869515.db2.gz KCALGXMSDVXOSQ-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CCCCN(C)[C@@H](C)[C@@H](CC)[NH2+]C 43816710 573869547 /nfs/dbraw/zinc/86/95/47/573869547.db2.gz JBRCABTZIODEJP-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@H](C)[C@H](C)N(C)CC1CC1 43906791 573869665 /nfs/dbraw/zinc/86/96/65/573869665.db2.gz GWJVZSGHAPZYJL-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]([NH2+]C)[C@H](C)N(C)[C@H](C)CC 43887229 573869905 /nfs/dbraw/zinc/86/99/05/573869905.db2.gz NTEDYLRGMNQCGV-OUAUKWLOSA-N 2 0 186.343 2.103 10 0 AEAERP CCC[NH2+][C@@H](C)[C@H](C)N(C)CC1CC1 43906788 573870103 /nfs/dbraw/zinc/87/01/03/573870103.db2.gz GWJVZSGHAPZYJL-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]([NH3+])CCC[N@H+](C)CCC1CCC1 258976128 573870878 /nfs/dbraw/zinc/87/08/78/573870878.db2.gz UOLTWPPOTONXIZ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]([NH2+]C)[C@H](C)N(C)[C@@H](C)C1CC1 43894684 573870135 /nfs/dbraw/zinc/87/01/35/573870135.db2.gz AUGFWLAJEUWGIF-NHCYSSNCSA-N 2 0 198.354 2.103 10 0 AEAERP CCC[NH2+][C@@H](C)[C@H](C)N1CCC[C@@H]1C 43903956 573870177 /nfs/dbraw/zinc/87/01/77/573870177.db2.gz QORMMEWMHVIMDW-SRVKXCTJSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]([NH2+]C)[C@H](C)N(CC)C(C)C 43824052 573870305 /nfs/dbraw/zinc/87/03/05/573870305.db2.gz UNPBBSMHXQPPDQ-QWRGUYRKSA-N 2 0 186.343 2.103 10 0 AEAERP CCCCN(CC)[C@@H](C)[C@@H](C)[NH2+]C 43817563 573870333 /nfs/dbraw/zinc/87/03/33/573870333.db2.gz JCZGRFPPYCLISP-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@@H](C)[C@@H](C)N(C)CCC 43886480 573870543 /nfs/dbraw/zinc/87/05/43/573870543.db2.gz JHNQTTFUFSDMAQ-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCCN(C)[C@H]1CCCCC[C@@H]1[NH2+]C 43885830 573870656 /nfs/dbraw/zinc/87/06/56/573870656.db2.gz QURSMNRSBDPDDW-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]([NH2+]C)[C@@H](C)N(C)[C@@H](C)C1CC1 43894683 573870740 /nfs/dbraw/zinc/87/07/40/573870740.db2.gz AUGFWLAJEUWGIF-HOSYDEDBSA-N 2 0 198.354 2.103 10 0 AEAERP CCC[NH+](CCC)CC[C@H](C)[NH2+]C 43814738 573870781 /nfs/dbraw/zinc/87/07/81/573870781.db2.gz NPNFGNISFNENBI-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH2+][C@H](C)C(C)C 716314067 573870803 /nfs/dbraw/zinc/87/08/03/573870803.db2.gz PTCONKXMJWUMEX-WDEREUQCSA-N 2 0 186.343 2.009 10 0 AEAERP CCC[NH2+][C@@H](C)[C@H](C)N1CCCCC1 43814586 573871004 /nfs/dbraw/zinc/87/10/04/573871004.db2.gz NPCURJTZTACPGS-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCCCN(C)C[C@H](C)[NH2+]CCC 43817121 573872115 /nfs/dbraw/zinc/87/21/15/573872115.db2.gz ARIKDDUQOOFYHV-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH2+][C@H](CC)[C@H](C)N(C)CC1CC1 43905847 573873207 /nfs/dbraw/zinc/87/32/07/573873207.db2.gz XQXDRXZDMOAJQB-CMPLNLGQSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH2+][C@@H](C)[C@@H](C)N(C)CC1CC1 43906780 573873299 /nfs/dbraw/zinc/87/32/99/573873299.db2.gz GWJVZSGHAPZYJL-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CCCN(C1CC1)[C@@H](C)[C@@H](CC)[NH2+]C 43885372 573873407 /nfs/dbraw/zinc/87/34/07/573873407.db2.gz CZMAUBCCCSWALD-CMPLNLGQSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]([NH2+]C)[C@H](C)N(C)C1CCCC1 43883609 573873442 /nfs/dbraw/zinc/87/34/42/573873442.db2.gz UCBBJDOYNAPLMM-JQWIXIFHSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H]([NH2+]C)[C@@H](C)N(CC)C(C)C 43824049 573873615 /nfs/dbraw/zinc/87/36/15/573873615.db2.gz UNPBBSMHXQPPDQ-GHMZBOCLSA-N 2 0 186.343 2.103 10 0 AEAERP CCC[NH2+][C@H](C)CC[N@H+](C)C(C)C 43813833 573873757 /nfs/dbraw/zinc/87/37/57/573873757.db2.gz ZGDNEQOXHFVGGH-LLVKDONJSA-N 2 0 186.343 2.105 10 0 AEAERP CCCN(CCC)[C@H](C)[C@H](C)[NH2+]C 43814752 573873728 /nfs/dbraw/zinc/87/37/28/573873728.db2.gz WNYMGQGEBWWHPZ-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCCN(CCC)[C@@H](C)[C@H](C)[NH2+]C 43814751 573874791 /nfs/dbraw/zinc/87/47/91/573874791.db2.gz WNYMGQGEBWWHPZ-QWRGUYRKSA-N 2 0 186.343 2.105 10 0 AEAERP CC(C)(C)CC[NH2+]CC1(C[NH3+])CCC1 258978720 573874768 /nfs/dbraw/zinc/87/47/68/573874768.db2.gz ULNVBVAUSVHGAB-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CCC[NH2+][C@@H](C)[C@H](C)N(CC)C1CC1 43822422 573874712 /nfs/dbraw/zinc/87/47/12/573874712.db2.gz XDTVQLDUCPQKPI-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+]CC1([C@@H](CC(C)C)[NH2+]C)CCC1 259578899 573876803 /nfs/dbraw/zinc/87/68/03/573876803.db2.gz XDBOADUFKADXFD-LLVKDONJSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)([NH3+])CC[C@@H]([NH3+])c1ccccc1 259218572 573881291 /nfs/dbraw/zinc/88/12/91/573881291.db2.gz GUGCYVPZTZVBFK-LLVKDONJSA-N 2 0 192.306 2.204 10 0 AEAERP CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 40622002 573881315 /nfs/dbraw/zinc/88/13/15/573881315.db2.gz OOIQZCJTJKASAC-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 40621997 573881786 /nfs/dbraw/zinc/88/17/86/573881786.db2.gz OOIQZCJTJKASAC-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP [NH3+]C1(CCC2([NH3+])CCCC2)CCCC1 238555388 573887535 /nfs/dbraw/zinc/88/75/35/573887535.db2.gz ONWALAPSJPQCSK-UHFFFAOYSA-N 2 0 196.338 2.310 10 0 AEAERP C[C@H](C[NH2+]C1CCCCC1)C[C@@H](C)[NH3+] 716330985 573887895 /nfs/dbraw/zinc/88/78/95/573887895.db2.gz LFPUBPDQAFKJIJ-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)C[NH+]1CCCCCC1 716340169 573888914 /nfs/dbraw/zinc/88/89/14/573888914.db2.gz CHPKROYUUFCOQV-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]CC1(C[NH2+]CCCC(C)C)CC1 258987862 573889028 /nfs/dbraw/zinc/88/90/28/573889028.db2.gz VIKKFQSEFHIJQW-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CC(C)CC[N@@H+]1C[C@H](C[NH3+])CC1(C)C 259222468 573892236 /nfs/dbraw/zinc/89/22/36/573892236.db2.gz CZUCETSYIDSHPZ-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)([NH3+])C[C@@H]([NH3+])C1CCCCC1 259221793 573893125 /nfs/dbraw/zinc/89/31/25/573893125.db2.gz GWQCZVWLSUNDJE-SNVBAGLBSA-N 2 0 184.327 2.021 10 0 AEAERP CC(C)([NH3+])C[C@H]([NH3+])C1CCCCC1 259221789 573892961 /nfs/dbraw/zinc/89/29/61/573892961.db2.gz GWQCZVWLSUNDJE-JTQLQIEISA-N 2 0 184.327 2.021 10 0 AEAERP Cc1[nH]c(CC[C@H](C)[NH3+])[nH+]c1C(C)C 258519390 573894167 /nfs/dbraw/zinc/89/41/67/573894167.db2.gz GYMUUFYGFMBRHH-QMMMGPOBSA-N 2 0 195.310 2.121 10 0 AEAERP CC(C)CCC[N@H+](C)CCCC[NH3+] 258993507 573897248 /nfs/dbraw/zinc/89/72/48/573897248.db2.gz WAYODBUUUURQDU-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP C[N@H+](CC[C@H]1CCCC[NH2+]1)C1CCC1 127456604 573901805 /nfs/dbraw/zinc/90/18/05/573901805.db2.gz KHFCUOVOIKMFRI-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)(C)[N@@H+]1CCC[C@H](C[NH3+])C1(C)C 259231195 573903639 /nfs/dbraw/zinc/90/36/39/573903639.db2.gz DINRTAYEXAQTIT-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 259226228 573905082 /nfs/dbraw/zinc/90/50/82/573905082.db2.gz KRZDUANWYCAOBZ-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+][C@@H](C)CC1=CC[N@@H+](C(C)C)CC1 257896887 573907964 /nfs/dbraw/zinc/90/79/64/573907964.db2.gz AECNJNVNKRTVAY-NSHDSACASA-N 2 0 196.338 2.025 10 0 AEAERP CC(C)CC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 44412923 573909615 /nfs/dbraw/zinc/90/96/15/573909615.db2.gz AWBVDOAQSAWIPA-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CC(C)(C)C[NH2+]CC1([NH3+])CC1 259232168 573909653 /nfs/dbraw/zinc/90/96/53/573909653.db2.gz YPBRIFVAGLNWKQ-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[N@@H+]1CCC=C(CCCC[NH3+])C1 258179955 573912164 /nfs/dbraw/zinc/91/21/64/573912164.db2.gz SPJVWWZQSHPFEV-UHFFFAOYSA-N 2 0 196.338 2.156 10 0 AEAERP CCCCC[N@H+](C)CC[C@@H]1CCC[NH2+]1 42172025 573916393 /nfs/dbraw/zinc/91/63/93/573916393.db2.gz QOKCPSDBWYGRKB-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[N@H+](CC[C@H]1CCC[NH2+]1)C(C)C 42171999 573915918 /nfs/dbraw/zinc/91/59/18/573915918.db2.gz XCSPOGTUUGUEBG-GFCCVEGCSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CC[C@@H]1CCC[NH2+]1 42172030 573917366 /nfs/dbraw/zinc/91/73/66/573917366.db2.gz HOVCSXFATLGAFG-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]1 42172092 573917619 /nfs/dbraw/zinc/91/76/19/573917619.db2.gz PBDZVNXFZJWRTM-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@H+](CC)CC[C@@H]1CCC[NH2+]1 42172021 573917655 /nfs/dbraw/zinc/91/76/55/573917655.db2.gz BNOVHMVWUWEXLQ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP [NH3+][C@H]1CC[C@H]([NH2+]CCCCC2CC2)C1 716399909 573917719 /nfs/dbraw/zinc/91/77/19/573917719.db2.gz VVODQCUXPFISPX-RYUDHWBXSA-N 2 0 196.338 2.036 10 0 AEAERP C[N@H+](CC[C@H]1CCC[NH2+]1)C1CCCC1 42171991 573918168 /nfs/dbraw/zinc/91/81/68/573918168.db2.gz LSZSPJFTLDDHAF-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]1 42172207 573919406 /nfs/dbraw/zinc/91/94/06/573919406.db2.gz GRJJDSOWZIUTNU-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@H+](CC[C@@H]1CCC[NH2+]1)C1CCCC1 42171989 573920175 /nfs/dbraw/zinc/92/01/75/573920175.db2.gz LSZSPJFTLDDHAF-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H](C)C[N@H+](C)CC[C@H](C)[NH3+] 252982094 573921948 /nfs/dbraw/zinc/92/19/48/573921948.db2.gz UTXUKTSOOFHEHJ-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]1 42172204 573921703 /nfs/dbraw/zinc/92/17/03/573921703.db2.gz GRJJDSOWZIUTNU-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@H](C)C[N@H+](C)CC[C@H](C)[NH3+] 252982095 573924403 /nfs/dbraw/zinc/92/44/03/573924403.db2.gz UTXUKTSOOFHEHJ-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[N@H+](C)C[C@@H]([NH3+])[C@H](C)CC 39794744 573925347 /nfs/dbraw/zinc/92/53/47/573925347.db2.gz WYKHQXPKPNFSML-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP C[N@@H+]1CCC[C@H]1C[C@]1(C)CCCC[NH2+]1 258182804 573926388 /nfs/dbraw/zinc/92/63/88/573926388.db2.gz MDJWGLBIKRAVMG-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP Cc1ccsc1[C@@H]([NH3+])[C@@H](C)CC[NH3+] 259241583 573927407 /nfs/dbraw/zinc/92/74/07/573927407.db2.gz HUSDBZGBNODZHD-CBAPKCEASA-N 2 0 198.335 2.041 10 0 AEAERP CC(C)[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 81065310 573928174 /nfs/dbraw/zinc/92/81/74/573928174.db2.gz WJKICUVOQCDSGM-GRYCIOLGSA-N 2 0 198.354 2.090 10 0 AEAERP C[N@@H+]1CCC[C@@H]1C[C@]1(C)CCCC[NH2+]1 258182799 573928234 /nfs/dbraw/zinc/92/82/34/573928234.db2.gz MDJWGLBIKRAVMG-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP Cc1ccsc1[C@@H]([NH3+])[C@H](C)CC[NH3+] 259241579 573928403 /nfs/dbraw/zinc/92/84/03/573928403.db2.gz HUSDBZGBNODZHD-APPZFPTMSA-N 2 0 198.335 2.041 10 0 AEAERP CCC[NH2+]C[C@@](C)(CC)[NH+]1CCCC1 308464736 573929074 /nfs/dbraw/zinc/92/90/74/573929074.db2.gz FUVWHMJAKGEOJT-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 81065312 573929485 /nfs/dbraw/zinc/92/94/85/573929485.db2.gz WJKICUVOQCDSGM-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)CCCC[N@@H+]1CC[C@@H](C[NH3+])C1 147576540 573930733 /nfs/dbraw/zinc/93/07/33/573930733.db2.gz JTYGIHYYKQFJSU-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP C[N@@H+]1CCC[C@H]1C[C@@]1(C)CCCC[NH2+]1 258182802 573930908 /nfs/dbraw/zinc/93/09/08/573930908.db2.gz MDJWGLBIKRAVMG-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@@H+]1CCC[C@@H]1C[C@@]1(C)CCCC[NH2+]1 258182807 573931181 /nfs/dbraw/zinc/93/11/81/573931181.db2.gz MDJWGLBIKRAVMG-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)(CC[NH3+])[NH2+]C1CCCCCC1 259013476 573931564 /nfs/dbraw/zinc/93/15/64/573931564.db2.gz RMPLWOHMBRDQBF-UHFFFAOYSA-N 2 0 198.354 2.426 10 0 AEAERP C[NH2+][C@@H](CC(C)(C)[NH3+])c1cccs1 259243725 573931682 /nfs/dbraw/zinc/93/16/82/573931682.db2.gz GXBCYIUBQXWFPB-QMMMGPOBSA-N 2 0 198.335 2.136 10 0 AEAERP CCCC1C[NH+](CC[C@H](C)[NH2+]CC)C1 716421635 573931730 /nfs/dbraw/zinc/93/17/30/573931730.db2.gz ZGUDIMADFISPBT-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[NH2+]CCN(C(C)C)C1CC1 127622032 573931759 /nfs/dbraw/zinc/93/17/59/573931759.db2.gz BTKLAARJORTATD-UHFFFAOYSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H](CC(C)(C)[NH3+])c1cccs1 259243723 573931763 /nfs/dbraw/zinc/93/17/63/573931763.db2.gz GXBCYIUBQXWFPB-MRVPVSSYSA-N 2 0 198.335 2.136 10 0 AEAERP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1[NH3+] 259016480 573936090 /nfs/dbraw/zinc/93/60/90/573936090.db2.gz NWXCTDOYJMXLGE-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)(C[NH3+])CC[NH2+]CCC1CCC1 259014785 573934938 /nfs/dbraw/zinc/93/49/38/573934938.db2.gz YBQRPHKECNXWBI-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1[NH3+] 259016479 573935129 /nfs/dbraw/zinc/93/51/29/573935129.db2.gz NWXCTDOYJMXLGE-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]([NH3+])CC[C@@H]([NH3+])C1CCCCC1 259244099 573935275 /nfs/dbraw/zinc/93/52/75/573935275.db2.gz HVWFZXJAFRXCQN-MWLCHTKSSA-N 2 0 184.327 2.021 10 0 AEAERP C[C@H]([NH3+])CC[C@H]([NH3+])C1CCCCC1 259244101 573935431 /nfs/dbraw/zinc/93/54/31/573935431.db2.gz HVWFZXJAFRXCQN-ONGXEEELSA-N 2 0 184.327 2.021 10 0 AEAERP CC[C@@H]([NH3+])CC[N@H+](C)C1CCCCC1 127765692 573935987 /nfs/dbraw/zinc/93/59/87/573935987.db2.gz YEYMUGIDUJGNSV-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[NH+](CCC)CC[C@@H]([NH3+])CC 127762197 573936308 /nfs/dbraw/zinc/93/63/08/573936308.db2.gz SIVFOVQYKMUXPJ-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[N@H+](CC)CC[C@H]([NH3+])CC 127764366 573936329 /nfs/dbraw/zinc/93/63/29/573936329.db2.gz RDJZFTVHNMDVTO-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[N@H+](C)CCC[NH2+]CCC 42409362 573939136 /nfs/dbraw/zinc/93/91/36/573939136.db2.gz OCXJOWLVXKBAPJ-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 127767960 573939240 /nfs/dbraw/zinc/93/92/40/573939240.db2.gz IUSQACGNDRGTGH-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[NH2+]CCC[N@@H+]1CCC[C@@H]1CC 42409123 573939365 /nfs/dbraw/zinc/93/93/65/573939365.db2.gz DKRHPIQVTPXJRA-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[C@H]1CC[N@H+](CCC[NH2+]C(C)(C)C)C1 42372064 573939436 /nfs/dbraw/zinc/93/94/36/573939436.db2.gz UTXPRLQIOYCJTE-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)C[NH2+]CC1([NH2+]C)CCCC1 308467710 573939602 /nfs/dbraw/zinc/93/96/02/573939602.db2.gz ACODNVQRMBTMNI-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[N@H+](CC)CCC[NH2+]CC 42409395 573941952 /nfs/dbraw/zinc/94/19/52/573941952.db2.gz QUMIXZFIHRUMHU-UHFFFAOYSA-N 2 0 186.343 2.108 10 0 AEAERP CC[C@H](C)C[N@H+](C)CC[C@H]([NH3+])CC 127782882 573942805 /nfs/dbraw/zinc/94/28/05/573942805.db2.gz VRXGTBBWZQJQQP-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)CC[N@H+](C/C=C\C[NH3+])C1CC1 308470471 573943889 /nfs/dbraw/zinc/94/38/89/573943889.db2.gz KGIOBKZCDKQRHO-ARJAWSKDSA-N 2 0 196.338 2.012 10 0 AEAERP C[C@@H]1CC[N@H+](CCC[NH2+]C(C)(C)C)C1 42372063 573943982 /nfs/dbraw/zinc/94/39/82/573943982.db2.gz UTXPRLQIOYCJTE-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C1CCC([C@@H]([NH3+])CC(C)C)CC1 259246549 573943966 /nfs/dbraw/zinc/94/39/66/573943966.db2.gz HXUKRUWZPVKPNC-MCIGGMRASA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)([NH3+])CC[NH2+]C[C@H]1CC=CCC1 308470026 573944001 /nfs/dbraw/zinc/94/40/01/573944001.db2.gz BHHJYHMMJJKPLV-NSHDSACASA-N 2 0 196.338 2.060 10 0 AEAERP CCC[N@H+](CC[C@@H]([NH3+])CC)C(C)C 127779048 573944045 /nfs/dbraw/zinc/94/40/45/573944045.db2.gz ICAZSCDWPCTONQ-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H]([NH3+])CC[N@H+](CC)CC(C)C 127781402 573944105 /nfs/dbraw/zinc/94/41/05/573944105.db2.gz LMJTURKHKHWOLD-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@@H]1CCC[C@@H]1C[NH3+] 45068280 573944243 /nfs/dbraw/zinc/94/42/43/573944243.db2.gz QNZYYVIRHRLLFG-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H]([NH3+])C[NH2+]C1(C)CCCCC1 45047262 573944195 /nfs/dbraw/zinc/94/41/95/573944195.db2.gz HTWWSQYMOUXZCN-LLVKDONJSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](CC(N)=[NH2+])[N@H+](C)CC(C)(C)C 45074247 573944337 /nfs/dbraw/zinc/94/43/37/573944337.db2.gz ZCFWFNQWCPHBFG-VIFPVBQESA-N 2 0 199.342 2.069 10 0 AEAERP CCC[NH2+]CC[NH2+]C1(C)CCCCC1 45047253 573945248 /nfs/dbraw/zinc/94/52/48/573945248.db2.gz VVDJNOLFHQQHBT-UHFFFAOYSA-N 2 0 198.354 2.298 10 0 AEAERP CC(C)(C)[C@@H](C[NH3+])C[NH2+]C1CCCC1 258186847 573948295 /nfs/dbraw/zinc/94/82/95/573948295.db2.gz OTCXDAUXEXBNFR-JTQLQIEISA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+][C@@H](CC(C)C)C1CCC([NH3+])CC1 259248574 573948746 /nfs/dbraw/zinc/94/87/46/573948746.db2.gz HEBLZLGRJNYMRB-MCIGGMRASA-N 2 0 198.354 2.138 10 0 AEAERP C[N@H+](CC[C@H]1CCC[NH2+]1)CC(C)(C)C 45089663 573950191 /nfs/dbraw/zinc/95/01/91/573950191.db2.gz AZDHWZNAPYURBN-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](c1ccccc1)[NH+](C)C 259249326 573950235 /nfs/dbraw/zinc/95/02/35/573950235.db2.gz BJWADCZQARSKBM-PWSUYJOCSA-N 2 0 192.306 2.027 10 0 AEAERP [NH3+][C@@H]1CC[C@@H](C[NH2+]C2CCCCC2)C1 85014806 573950763 /nfs/dbraw/zinc/95/07/63/573950763.db2.gz LGWUWDDLSHJPST-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP C[NH2+][C@H](CC(C)C)C1CCC([NH3+])CC1 259248569 573950870 /nfs/dbraw/zinc/95/08/70/573950870.db2.gz HEBLZLGRJNYMRB-HTAVTVPLSA-N 2 0 198.354 2.138 10 0 AEAERP CC1([NH2+]C[C@H]2CC[C@H]([NH3+])C2)CCCC1 85016213 573950946 /nfs/dbraw/zinc/95/09/46/573950946.db2.gz DJDKWBPGJNKIOP-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CCCCC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 42427285 573952876 /nfs/dbraw/zinc/95/28/76/573952876.db2.gz MFXZESSHPBONFC-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC1([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCCC1 85016219 573953052 /nfs/dbraw/zinc/95/30/52/573953052.db2.gz DJDKWBPGJNKIOP-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CC[N@@H+](CC1CCCC1)C[C@H](C)C[NH3+] 42443148 573952722 /nfs/dbraw/zinc/95/27/22/573952722.db2.gz BJSILSAVYLTKML-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP [NH3+][C@H]1CC[C@@H](C[NH2+]C2CCCCC2)C1 85014801 573952747 /nfs/dbraw/zinc/95/27/47/573952747.db2.gz LGWUWDDLSHJPST-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP C[N@H+](CC[C@@H]1CCC[NH2+]1)CC(C)(C)C 45089661 573953188 /nfs/dbraw/zinc/95/31/88/573953188.db2.gz AZDHWZNAPYURBN-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)C1CCC1 127708203 573954468 /nfs/dbraw/zinc/95/44/68/573954468.db2.gz VXEBMEJNEKXUTN-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC1(C)C[C@@H]1[NH2+]CCCCCCC[NH3+] 45137751 573957058 /nfs/dbraw/zinc/95/70/58/573957058.db2.gz IWUQCUKCIOMKME-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1CCC[C@H](C)[C@@H]1C 127872360 573956178 /nfs/dbraw/zinc/95/61/78/573956178.db2.gz JETLBIHBVQESBX-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]([NH3+])CC[NH+]1CCC(C)(C)CC1 127882188 573956222 /nfs/dbraw/zinc/95/62/22/573956222.db2.gz USBKFEUMETYNAS-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[NH2+]CC[C@@H](C)[N@H+](C)C1CCC1 127885418 573956240 /nfs/dbraw/zinc/95/62/40/573956240.db2.gz YCORCRKSCZHPDU-LLVKDONJSA-N 2 0 198.354 2.247 10 0 AEAERP CCCC[C@H]([NH3+])C[NH2+][C@H]1CCC1(C)C 308471744 573957129 /nfs/dbraw/zinc/95/71/29/573957129.db2.gz BXDYXQCVVAAVMH-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC1(C)C 308471753 573956314 /nfs/dbraw/zinc/95/63/14/573956314.db2.gz BXQSMGDWJFOJMA-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])CCCC[NH2+][C@H]1CCC1(C)C 308471755 573956462 /nfs/dbraw/zinc/95/64/62/573956462.db2.gz BXQSMGDWJFOJMA-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CCCCCC[N@H+](CC)CCC(N)=[NH2+] 42452893 573956800 /nfs/dbraw/zinc/95/68/00/573956800.db2.gz KNQCLNULBUQTQP-UHFFFAOYSA-N 2 0 199.342 2.215 10 0 AEAERP CC(C)[NH2+]CC[C@H](C)[N@H+](C)C1CCC1 127885634 573958024 /nfs/dbraw/zinc/95/80/24/573958024.db2.gz YCORCRKSCZHPDU-NSHDSACASA-N 2 0 198.354 2.247 10 0 AEAERP CCC[N@H+](CCCC[NH2+]C)CC1CC1 42491198 573958297 /nfs/dbraw/zinc/95/82/97/573958297.db2.gz CACLEFWVVFBXJK-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@H](CC[NH3+])[N@H+](C)CC1CCCCC1 42491917 573958408 /nfs/dbraw/zinc/95/84/08/573958408.db2.gz LZJYFVPHCOYDQN-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]([NH3+])CC[NH+]1CCC(C)(C)CC1 127882439 573958525 /nfs/dbraw/zinc/95/85/25/573958525.db2.gz USBKFEUMETYNAS-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH2+]C1CC1)[N@H+](C)C1CCC1 127877290 573959666 /nfs/dbraw/zinc/95/96/66/573959666.db2.gz LIHWTMOVVUKOJL-JTQLQIEISA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1CC[C@H](C)C[C@@H]1C 127874805 573959718 /nfs/dbraw/zinc/95/97/18/573959718.db2.gz LQSZYLAPEYVGPI-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CCC[C@H]([N@H+](C)CCCC[NH3+])C1 42491950 573959764 /nfs/dbraw/zinc/95/97/64/573959764.db2.gz QVLKTWMXIXWCBK-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCC[C@H]([N@H+](C)CCCC[NH3+])C1 42491951 573962100 /nfs/dbraw/zinc/96/21/00/573962100.db2.gz QVLKTWMXIXWCBK-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]1CCC[C@@H]([N@H+](C)CCCC[NH3+])C1 42491953 573960003 /nfs/dbraw/zinc/96/00/03/573960003.db2.gz QVLKTWMXIXWCBK-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H](CC[NH2+]C1CC1)[N@H+](C)C1CCC1 127877519 573960430 /nfs/dbraw/zinc/96/04/30/573960430.db2.gz LIHWTMOVVUKOJL-SNVBAGLBSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)CC1CCCCC1 42492744 573960439 /nfs/dbraw/zinc/96/04/39/573960439.db2.gz YDOHJSUJEAIVLW-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]([NH3+])CC[N@H+](C)CC(C)(C)C 127860676 573960567 /nfs/dbraw/zinc/96/05/67/573960567.db2.gz AEKUTGLDVUJHGF-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H](C[NH2+]C(C)C)N(C)C1CCC1 127887789 573960732 /nfs/dbraw/zinc/96/07/32/573960732.db2.gz UZZGYLGCAJSCHA-NSHDSACASA-N 2 0 198.354 2.247 10 0 AEAERP CCCC[N@H+](CCCC[NH2+]C)C1CC1 42491337 573960831 /nfs/dbraw/zinc/96/08/31/573960831.db2.gz COUITJGAYNLFML-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP C[N@H+](CCCC[NH3+])CC1CCCCC1 42491898 573960965 /nfs/dbraw/zinc/96/09/65/573960965.db2.gz PRPRJIAACURGFB-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CCCC[N@H+](C[C@@H]([NH3+])CCC)C1CC1 42491336 573961321 /nfs/dbraw/zinc/96/13/21/573961321.db2.gz FKGOKLUQWSAIED-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[N@H+](C[C@@H]([NH3+])C(C)C)C1CC1 42491315 573961545 /nfs/dbraw/zinc/96/15/45/573961545.db2.gz OZURPIBUOGFUIO-GFCCVEGCSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCCC[N@H+](C)C[C@@H](C)C(N)=[NH2+] 42459768 573961610 /nfs/dbraw/zinc/96/16/10/573961610.db2.gz SNBNCBKDFJJBNX-SNVBAGLBSA-N 2 0 199.342 2.071 10 0 AEAERP CCCC[N@H+](C[C@H]([NH3+])CCC)C1CC1 42491335 573961723 /nfs/dbraw/zinc/96/17/23/573961723.db2.gz FKGOKLUQWSAIED-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]1CCC[C@@H]([N@H+](C)CCCC[NH3+])C1 42491952 573962190 /nfs/dbraw/zinc/96/21/90/573962190.db2.gz QVLKTWMXIXWCBK-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1CCC[C@H](C)CC1 127895124 573965426 /nfs/dbraw/zinc/96/54/26/573965426.db2.gz KNHWTTNNXHFLLL-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]([NH3+])CC[NH2+]CC1(C)CCCC1 127899264 573964157 /nfs/dbraw/zinc/96/41/57/573964157.db2.gz XEEVKLUVVSUNJE-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC1CCC([N@@H+](C)CC[C@@H](C)[NH3+])CC1 42487636 573964185 /nfs/dbraw/zinc/96/41/85/573964185.db2.gz UVWJJDBGICUKHC-MOENNCHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]([NH3+])CC[N@@H+]1CCC[C@H](C)CC1 127895343 573964244 /nfs/dbraw/zinc/96/42/44/573964244.db2.gz KNHWTTNNXHFLLL-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CCC[N@@H+](CC[C@H]([NH3+])CC)C1 127792196 573965467 /nfs/dbraw/zinc/96/54/67/573965467.db2.gz MSVWTTBYWUMOGZ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@@H+]1CCC[C@@H](CC[NH2+]C)C1 259252721 573964320 /nfs/dbraw/zinc/96/43/20/573964320.db2.gz QQDOIYCSXLDFLU-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCC(CC)[N@@H+](C)CC[C@H]([NH3+])CC 127790572 573964590 /nfs/dbraw/zinc/96/45/90/573964590.db2.gz MLPXHPLFJUXEPF-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CCC[C@H](C)[N@H+](C)CC[C@H]([NH3+])CC 127791287 573964982 /nfs/dbraw/zinc/96/49/82/573964982.db2.gz NJFUJKVCOGMEDV-WDEREUQCSA-N 2 0 186.343 2.234 10 0 AEAERP CC1(C)CCC[N@H+](C/C=C/C[NH3+])CC1 85055208 573965141 /nfs/dbraw/zinc/96/51/41/573965141.db2.gz BVUQGRGCTDETME-ONEGZZNKSA-N 2 0 196.338 2.013 10 0 AEAERP CC[C@H]([NH3+])CC[N@H+](C)CC1CCCC1 127895624 573966335 /nfs/dbraw/zinc/96/63/35/573966335.db2.gz LNCWUCIUYOABJE-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(C)C 127790330 573966678 /nfs/dbraw/zinc/96/66/78/573966678.db2.gz CXLYLWGXAMWIRZ-WDEREUQCSA-N 2 0 186.343 2.090 10 0 AEAERP CC1CCC([N@@H+](C)CC[C@H](C)[NH3+])CC1 42487637 573966720 /nfs/dbraw/zinc/96/67/20/573966720.db2.gz UVWJJDBGICUKHC-CXQJBGSLSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H]1CC[N@@H+]([C@@H](CC)C[NH2+]C)C1 127790921 573966852 /nfs/dbraw/zinc/96/68/52/573966852.db2.gz SPKQMGQLYZNXCX-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)(CC[NH3+])C[NH2+]CCC1CCC1 259029347 573967026 /nfs/dbraw/zinc/96/70/26/573967026.db2.gz ZNFQKVMQBBRZFI-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@H]([NH3+])CC[NH2+]C1CCCCCC1 127799619 573968585 /nfs/dbraw/zinc/96/85/85/573968585.db2.gz NYRNGOUFNOCVSY-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CCCC(C)(C)C[NH2+]C[C@@H]1CC[NH2+]C1 259029255 573969178 /nfs/dbraw/zinc/96/91/78/573969178.db2.gz ZLHUCMUHEZCTIQ-LLVKDONJSA-N 2 0 198.354 2.012 10 0 AEAERP CCC1CC[NH+](CC[C@@H]([NH3+])CC)CC1 127816599 573973533 /nfs/dbraw/zinc/97/35/33/573973533.db2.gz XXHRDRXFEKSOBO-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC1CC[NH+](CC[C@H]([NH3+])CC)CC1 127816407 573974453 /nfs/dbraw/zinc/97/44/53/573974453.db2.gz XXHRDRXFEKSOBO-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@@H]([NH2+]C)CC1(C)C 259254973 573977384 /nfs/dbraw/zinc/97/73/84/573977384.db2.gz FHPWAXJADZOUJJ-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)C[N@H+](CCCC(N)=[NH2+])C(C)C 42584178 573977410 /nfs/dbraw/zinc/97/74/10/573977410.db2.gz OWTJSCXHAYLGLV-UHFFFAOYSA-N 2 0 199.342 2.069 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@H]1CCCNC1 42584385 573977424 /nfs/dbraw/zinc/97/74/24/573977424.db2.gz OCOPDFFSBQBNHL-LBPRGKRZSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[C@@H](C)[N@H+](C)CCCC[NH3+] 42562704 573978784 /nfs/dbraw/zinc/97/87/84/573978784.db2.gz KKUVTZLNPPOZJC-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP C[N@@H+]1CCC[C@H](CC(C)(C)CC[NH3+])C1 259256782 573980450 /nfs/dbraw/zinc/98/04/50/573980450.db2.gz XBKOMJLRQJFTIW-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[N@H+](C)C1CCC1 127829827 573980458 /nfs/dbraw/zinc/98/04/58/573980458.db2.gz ZZJKEFZCIGVRKW-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](CC[C@@H]([NH3+])CC)C1CC1 127826862 573980831 /nfs/dbraw/zinc/98/08/31/573980831.db2.gz WTLBTHLUXSGIHS-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)C[N@H+](CCCC[NH3+])C(C)C 42563016 573981592 /nfs/dbraw/zinc/98/15/92/573981592.db2.gz PRKJZNQDUXCRMU-UHFFFAOYSA-N 2 0 186.343 2.092 10 0 AEAERP CCCCC[C@@H](C)[NH+]1CCC([NH3+])CC1 42571349 573983271 /nfs/dbraw/zinc/98/32/71/573983271.db2.gz LDZLOMLFHVGVJN-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)C[N@H+](CC[C@H](C)[NH3+])C(C)C 42581489 573982276 /nfs/dbraw/zinc/98/22/76/573982276.db2.gz KGXZCRSLTVIAGR-NSHDSACASA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@@H](CC[NH3+])[N@H+](CC1CC1)C(C)C 42563231 573982448 /nfs/dbraw/zinc/98/24/48/573982448.db2.gz DYFUXSGMFKOQKY-LBPRGKRZSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@](C)(C[NH3+])C[N@H+](C)C1CCC1 127830023 573982645 /nfs/dbraw/zinc/98/26/45/573982645.db2.gz ZZJKEFZCIGVRKW-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@H+](CCCCC[NH3+])CC1CC1 42563306 573983037 /nfs/dbraw/zinc/98/30/37/573983037.db2.gz KWOFCSJZSQYMJM-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@H]([NH3+])CCCC[N@H+](C)[C@@H](C)C1CC1 45600114 573986727 /nfs/dbraw/zinc/98/67/27/573986727.db2.gz LKWRPHSXWFLPRK-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@H](C)[N@H+](C)CC[C@@H](C)[NH3+] 42580829 573985804 /nfs/dbraw/zinc/98/58/04/573985804.db2.gz IJSVWIOQQPDXHD-MNOVXSKESA-N 2 0 186.343 2.090 10 0 AEAERP CCC[N@H+](CC)CCC[C@H](C)[NH2+]C 45599494 573986954 /nfs/dbraw/zinc/98/69/54/573986954.db2.gz HOAVELWSXAYQQS-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP C[NH2+][C@@H](C)CCC[N@H+](C)C1CCCC1 45599465 573986921 /nfs/dbraw/zinc/98/69/21/573986921.db2.gz BCPYNJYXEDYART-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1CCC[C@@H](C)[NH3+] 45599422 573986964 /nfs/dbraw/zinc/98/69/64/573986964.db2.gz JPLHUAJHEBLXJD-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[N@H+](CCC[C@@H](C)[NH3+])C1CC1 45602168 573986975 /nfs/dbraw/zinc/98/69/75/573986975.db2.gz BLLWJMYALGQCCV-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCc1nc(C)cn1[C@H](CC)CC[NH3+] 715108783 573986796 /nfs/dbraw/zinc/98/67/96/573986796.db2.gz JHIZVKUICPNMBL-SNVBAGLBSA-N 2 0 195.310 2.054 10 0 AEAERP CC(C)C[N@H+](CCC[C@H](C)[NH3+])C1CC1 45602811 573986809 /nfs/dbraw/zinc/98/68/09/573986809.db2.gz KVAQHEZHJLXGED-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)C1 131796160 573986810 /nfs/dbraw/zinc/98/68/10/573986810.db2.gz LBQXABAZOBDIDC-SRVKXCTJSA-N 2 0 198.354 2.103 10 0 AEAERP C[C@H]1C[C@@H](C)C[N@H+](CCC[C@@H](C)[NH3+])C1 45598519 573986844 /nfs/dbraw/zinc/98/68/44/573986844.db2.gz QRPQMBFYQVFBDS-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CCCC[N@H+]1CCCC[C@@H](C)[NH3+] 45598633 573988070 /nfs/dbraw/zinc/98/80/70/573988070.db2.gz GGXFKLACVLEKBO-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CCCC[C@H](C)[NH2+]C)C1CC1 45599332 573987735 /nfs/dbraw/zinc/98/77/35/573987735.db2.gz WSEFIUURVAWHDB-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](C)CCCC[N@H+](C)CC 45599307 573987745 /nfs/dbraw/zinc/98/77/45/573987745.db2.gz KCCKFSBJUCWPNT-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC1CC[NH+](CCCC[C@H](C)[NH3+])CC1 45598577 573987767 /nfs/dbraw/zinc/98/77/67/573987767.db2.gz BVBCFXIKNLNVAT-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCCC[N@H+](C)CCCC[C@@H](C)[NH3+] 45598974 573987958 /nfs/dbraw/zinc/98/79/58/573987958.db2.gz AVRRPBUVNKZZGB-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCCC[N@H+](C)CCC[C@@H](C)[NH2+]C 45598984 573987993 /nfs/dbraw/zinc/98/79/93/573987993.db2.gz XEWRGIBUFZRNCG-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC(C)CC[N@@H+]1CCC[NH2+]CC[C@@H]1C 259260494 573988084 /nfs/dbraw/zinc/98/80/84/573988084.db2.gz FPVKBZMYYAHHIH-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@H+](CCC[C@H](C)[NH2+]C)C1CC1 45599550 573988112 /nfs/dbraw/zinc/98/81/12/573988112.db2.gz BTBXPFBDAGISJB-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H](C)C[N@H+](C)CCC[C@@H](C)[NH3+] 45599736 573988306 /nfs/dbraw/zinc/98/83/06/573988306.db2.gz HYNQTHNSOZYQCA-WDEREUQCSA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)[N@H+](CCC[C@H](C)[NH3+])CC1CC1 45602998 573988332 /nfs/dbraw/zinc/98/83/32/573988332.db2.gz JVCHZVGKMUUCLX-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](CCCC[C@H](C)[NH3+])C(C)C 45599388 573988373 /nfs/dbraw/zinc/98/83/73/573988373.db2.gz PASBADXFLOMJHS-NSHDSACASA-N 2 0 186.343 2.234 10 0 AEAERP CC[NH2+][C@H](C)CCC[N@H+](C)CC1CC1 45600909 573988732 /nfs/dbraw/zinc/98/87/32/573988732.db2.gz SHIUVYHLGPJSGJ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](C)CCCC[C@H](C)[NH3+] 45598975 573988389 /nfs/dbraw/zinc/98/83/89/573988389.db2.gz AVRRPBUVNKZZGB-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CCC[C@@H](C)[NH2+]C 45600859 573988431 /nfs/dbraw/zinc/98/84/31/573988431.db2.gz IOFHPLDBEHSFNG-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@H+](C)CCCC[C@H](C)[NH2+]C 45599567 573988466 /nfs/dbraw/zinc/98/84/66/573988466.db2.gz RPKZIEZBLNVLNV-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[C@H](C)[N@H+](CC)CCC[C@@H](C)[NH3+] 45599684 573988546 /nfs/dbraw/zinc/98/85/46/573988546.db2.gz OPNZWGZFNGNITM-MNOVXSKESA-N 2 0 186.343 2.234 10 0 AEAERP CC[NH2+][C@@H](C)CCC[N@@H+]1CCC[C@@H]1C 45600819 573988565 /nfs/dbraw/zinc/98/85/65/573988565.db2.gz KEBCLULARBYQSB-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[N@H+](C)CCCC[C@@H](C)[NH3+] 45599618 573988616 /nfs/dbraw/zinc/98/86/16/573988616.db2.gz NNNOEPLZOHPQGI-GHMZBOCLSA-N 2 0 186.343 2.234 10 0 AEAERP C[NH2+][C@@H](C)CCC[N@H+](C)[C@@H](C)C1CC1 45600140 573988694 /nfs/dbraw/zinc/98/86/94/573988694.db2.gz LIXJCPUVQZFZMD-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](CCCC[C@@H](C)[NH3+])C(C)C 45599386 573988758 /nfs/dbraw/zinc/98/87/58/573988758.db2.gz PASBADXFLOMJHS-LLVKDONJSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)CC[N@H+](C)CCC[C@H](C)[NH3+] 45601592 573988776 /nfs/dbraw/zinc/98/87/76/573988776.db2.gz KZUFEOSQEMTEDH-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[C@@H]1CCC[N@H+](CCC[C@@H](C)[NH3+])C1 45600300 573988785 /nfs/dbraw/zinc/98/87/85/573988785.db2.gz HANRWHZQEQLBDL-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH+](CCC)CCC[C@H](C)[NH3+] 45598791 573988812 /nfs/dbraw/zinc/98/88/12/573988812.db2.gz GCJZOPKKIISYGR-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCC[NH2+][C@H](C)CCC[N@H+](C)CC 45599321 573988998 /nfs/dbraw/zinc/98/89/98/573988998.db2.gz COMOUENZKXFLDY-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1CCCC[C@@H](C)[NH3+] 45600830 573988854 /nfs/dbraw/zinc/98/88/54/573988854.db2.gz ZTQWPEVINZGKHO-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[N@H+](CCCC[C@H](C)[NH3+])C1CC1 45599533 573988865 /nfs/dbraw/zinc/98/88/65/573988865.db2.gz QPJHQIAMDGUXNE-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[N@H+](C)CCC[C@H](C)[NH2+]C 45598985 573988928 /nfs/dbraw/zinc/98/89/28/573988928.db2.gz XEWRGIBUFZRNCG-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCCCC[NH2+]C1CCC([NH2+]C)CC1 259259835 573988961 /nfs/dbraw/zinc/98/89/61/573988961.db2.gz MZGBPBFWHQDFQH-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[N@H+](CC)CCC[C@@H](C)[NH3+] 45599054 573988982 /nfs/dbraw/zinc/98/89/82/573988982.db2.gz DEHPGUFSOYPGMV-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP C[NH2+][C@H](C)CCCC[N@@H+]1CC[C@@H](C)C1 45601045 573989970 /nfs/dbraw/zinc/98/99/70/573989970.db2.gz NJAZQPBMMRFAJG-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CCC[C@@H](C)[NH3+])C1CCCC1 45599821 573989735 /nfs/dbraw/zinc/98/97/35/573989735.db2.gz XYINDTQDBSOCAC-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CCC[C@@H](C)[NH2+]C)C(C)C 45599406 573989741 /nfs/dbraw/zinc/98/97/41/573989741.db2.gz BBPDABYHGFYLJK-LLVKDONJSA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+][C@H](C)CCC[N@H+](C)[C@@H](C)C1CC1 45600143 573989756 /nfs/dbraw/zinc/98/97/56/573989756.db2.gz LIXJCPUVQZFZMD-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@H+](CCC[C@@H](C)[NH3+])CC1CC1 45602040 573989769 /nfs/dbraw/zinc/98/97/69/573989769.db2.gz CNSMAZZKJFIKNY-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](C)CCC[C@@H](C)[NH2+]CC 45599579 573989806 /nfs/dbraw/zinc/98/98/06/573989806.db2.gz VRVGENKOTWPAQM-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC1CC[NH+](CCCC[C@@H](C)[NH3+])CC1 45598576 573989816 /nfs/dbraw/zinc/98/98/16/573989816.db2.gz BVBCFXIKNLNVAT-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[N@H+](C)CCC[C@H](C)[NH3+] 45599709 573989849 /nfs/dbraw/zinc/98/98/49/573989849.db2.gz RUKUFQNLJXHRPI-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CC(C)C[N@H+](C)CCCC[C@H](C)[NH3+] 45599589 573989916 /nfs/dbraw/zinc/98/99/16/573989916.db2.gz ZGENZBSGXKFPPK-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@H+](CCCC[C@@H](C)[NH3+])C1CC1 45599531 573989924 /nfs/dbraw/zinc/98/99/24/573989924.db2.gz QPJHQIAMDGUXNE-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CCC[C@H](C)[NH2+]C)C(C)C 45599408 573989936 /nfs/dbraw/zinc/98/99/36/573989936.db2.gz BBPDABYHGFYLJK-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP C[C@@H]([NH3+])CCCC[N@H+](C)C1CCCC1 45599449 573989946 /nfs/dbraw/zinc/98/99/46/573989946.db2.gz MYSKZNLNGXAKAS-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC[NH+](CCC)CCC[C@@H](C)[NH3+] 45598790 573990009 /nfs/dbraw/zinc/99/00/09/573990009.db2.gz GCJZOPKKIISYGR-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP C[NH2+][C@H](C)CCC[N@H+](C)C1CCCC1 45599466 573990049 /nfs/dbraw/zinc/99/00/49/573990049.db2.gz BCPYNJYXEDYART-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[C@@H](C)[N@H+](C)CCCC(N)=[NH2+] 42584054 573992283 /nfs/dbraw/zinc/99/22/83/573992283.db2.gz WHBKWAWBPOPVSR-SNVBAGLBSA-N 2 0 199.342 2.069 10 0 AEAERP CC[C@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)C1 87652038 573993265 /nfs/dbraw/zinc/99/32/65/573993265.db2.gz OTTGANFGLPTERS-UZEXVOJHSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)[C@@H](C)[NH2+]CCN(C)C1CCC1 127925900 573994101 /nfs/dbraw/zinc/99/41/01/573994101.db2.gz GZIIIGJEMMGBFQ-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CCC1CCC([NH2+]C2CC([NH3+])C2)CC1 87651754 573994133 /nfs/dbraw/zinc/99/41/33/573994133.db2.gz LEHITEISEKSQAR-UHFFFAOYSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@@H](C)[NH2+]CCN(C)C1CCC1 127945309 573994460 /nfs/dbraw/zinc/99/44/60/573994460.db2.gz YHFVGEXYRFPBQP-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@@H](C)N(C)C1CCC1 127929568 573997426 /nfs/dbraw/zinc/99/74/26/573997426.db2.gz SPRWAJZJHCMHTD-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CCC(CC)[NH2+]CCN(C)C1CCC1 127925141 573996083 /nfs/dbraw/zinc/99/60/83/573996083.db2.gz VPZSLCIPIPPVAH-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC([NH3+])C1 87651472 573996267 /nfs/dbraw/zinc/99/62/67/573996267.db2.gz IJJDLFIPYXJTSX-YYJSSNLHSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC([NH3+])C1 87651473 573996354 /nfs/dbraw/zinc/99/63/54/573996354.db2.gz IJJDLFIPYXJTSX-XKGSQUFQSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@H]([NH3+])CC[N@@H+]1CCCCC[C@@H]1C 127904685 573996423 /nfs/dbraw/zinc/99/64/23/573996423.db2.gz UVJCOBHTYGVBGR-RYUDHWBXSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)C1CCC1 127912161 573996481 /nfs/dbraw/zinc/99/64/81/573996481.db2.gz RBGBNGCAWKEDEO-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC1(C)CCCC[C@H]1[NH2+]C1CC([NH3+])C1 87652158 573996483 /nfs/dbraw/zinc/99/64/83/573996483.db2.gz PVOBPJOAEKKEQL-VQXHTEKXSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[NH2+]CC[C@H](C)[N@H+](C)C1CCC1 127921354 573996575 /nfs/dbraw/zinc/99/65/75/573996575.db2.gz XGOMRRMHEMKFAQ-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+]CCC[C@@H](C)[N@H+](C)C1CCC1 127908258 573996689 /nfs/dbraw/zinc/99/66/89/573996689.db2.gz XAUHRRYPSGTVLP-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)C1 87652036 573996756 /nfs/dbraw/zinc/99/67/56/573996756.db2.gz OTTGANFGLPTERS-VOBJUBJWSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[NH2+]CC[C@@H](C)[N@H+](C)C1CCC1 127921140 573996708 /nfs/dbraw/zinc/99/67/08/573996708.db2.gz XGOMRRMHEMKFAQ-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC(C)(C)[NH2+]CCN(C)C1CCC1 127942726 573996960 /nfs/dbraw/zinc/99/69/60/573996960.db2.gz IUCWDJDLQXAZHH-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC1(C)CCC([NH2+]C2CC([NH3+])C2)CC1 87651995 573996968 /nfs/dbraw/zinc/99/69/68/573996968.db2.gz JFEIKRZWGFODPB-UHFFFAOYSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@H](C)[NH2+]C[C@H](C)N(C)C1CCC1 127930231 573997001 /nfs/dbraw/zinc/99/70/01/573997001.db2.gz SPRWAJZJHCMHTD-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+]C1CCC([C@@H]([NH2+]C)C(C)C)CC1 259263162 573997102 /nfs/dbraw/zinc/99/71/02/573997102.db2.gz HQUPVQJZTFZAAF-MCIGGMRASA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H]1CC[C@H](C)[N@H+](CC[C@@H](C)[NH3+])C1 715112850 573997149 /nfs/dbraw/zinc/99/71/49/573997149.db2.gz MDQPRIWLKWFYEI-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@H](C)N(C)C1CCC1 127929792 573997230 /nfs/dbraw/zinc/99/72/30/573997230.db2.gz SPRWAJZJHCMHTD-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+]C[C@@H](CC)N(C)C1CCC1 127915078 573998323 /nfs/dbraw/zinc/99/83/23/573998323.db2.gz IPCALPOEAMRBQT-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@@H+](C1CCCCC1)C1CC([NH3+])C1 87653148 574002360 /nfs/dbraw/zinc/00/23/60/574002360.db2.gz PMGYQCXBWJXXCZ-UHFFFAOYSA-N 2 0 196.338 2.131 10 0 AEAERP CCC[C@@H](CC[NH2+]C)[NH+]1CCCCC1 82291908 574003272 /nfs/dbraw/zinc/00/32/72/574003272.db2.gz DZPJPVZTIVGZIA-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP Cc1ccsc1[C@H]([NH3+])CC[C@@H](C)[NH3+] 259271400 574010330 /nfs/dbraw/zinc/01/03/30/574010330.db2.gz IWNCTUUTRPEJOG-RKDXNWHRSA-N 2 0 198.335 2.184 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[C@H](CC[NH2+]C)C1 259284034 574030229 /nfs/dbraw/zinc/03/02/29/574030229.db2.gz TVYGBMAMTGGAAE-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP Cc1ccc([C@H]([NH3+])CCC[NH3+])c(C)c1 259294027 574040271 /nfs/dbraw/zinc/04/02/71/574040271.db2.gz JUQXCFOMRGGOHX-GFCCVEGCSA-N 2 0 192.306 2.042 10 0 AEAERP CCC(CC)C[C@@H]([NH3+])CC[NH+](C)C 128240371 574040301 /nfs/dbraw/zinc/04/03/01/574040301.db2.gz SDOLHPAEPKGOTE-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)CC1 49553809 574040740 /nfs/dbraw/zinc/04/07/40/574040740.db2.gz NIOBKFAHYBBBPD-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)C[C@H]([NH3+])CC[NH+](C)C 128240093 574040857 /nfs/dbraw/zinc/04/08/57/574040857.db2.gz SDOLHPAEPKGOTE-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCCC[N@@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259295209 574041008 /nfs/dbraw/zinc/04/10/08/574041008.db2.gz PHGYWVNACRZXHA-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C)C(C)(C)C1 259295205 574042696 /nfs/dbraw/zinc/04/26/96/574042696.db2.gz PHGYWVNACRZXHA-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C1(C)CC1 49553811 574042737 /nfs/dbraw/zinc/04/27/37/574042737.db2.gz NIOBKFAHYBBBPD-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCCCC[NH2+][C@H](C)CC[NH+](C)C 49553678 574042861 /nfs/dbraw/zinc/04/28/61/574042861.db2.gz XZIZBYSNCIYMNB-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1C 20071551 486713073 /nfs/dbraw/zinc/71/30/73/486713073.db2.gz SUVAMUCGODMVOO-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1C 20071554 486713296 /nfs/dbraw/zinc/71/32/96/486713296.db2.gz SUVAMUCGODMVOO-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C)CC1 20071331 486713508 /nfs/dbraw/zinc/71/35/08/486713508.db2.gz ZUEGSXZCMUZBJS-GFCCVEGCSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[N@H+](C)C[C@H]([NH3+])CC(C)C 20072697 486713984 /nfs/dbraw/zinc/71/39/84/486713984.db2.gz MHLDEWIIULMNFL-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1CC1 37097476 486718325 /nfs/dbraw/zinc/71/83/25/486718325.db2.gz KREJXKMUJHWODB-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1CC1 37097475 486718488 /nfs/dbraw/zinc/71/84/88/486718488.db2.gz KREJXKMUJHWODB-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1C 37115946 486718991 /nfs/dbraw/zinc/71/89/91/486718991.db2.gz SUVAMUCGODMVOO-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]([NH2+]CCC[NH3+])c1cccs1 37713490 486721357 /nfs/dbraw/zinc/72/13/57/486721357.db2.gz RCDPUDWWVYTGEC-SECBINFHSA-N 2 0 198.335 2.138 10 0 AEAERP CC[C@H]([NH2+]CCC[NH3+])c1cccs1 37713489 486721430 /nfs/dbraw/zinc/72/14/30/486721430.db2.gz RCDPUDWWVYTGEC-VIFPVBQESA-N 2 0 198.335 2.138 10 0 AEAERP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C)CC1 39140973 486722794 /nfs/dbraw/zinc/72/27/94/486722794.db2.gz ZUEGSXZCMUZBJS-LBPRGKRZSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[NH2+]CC1(C[NH+](C)C)CCCC1 51214393 486740025 /nfs/dbraw/zinc/74/00/25/486740025.db2.gz FZHRHEMNDSFSLT-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH+]1CCC(C[NH2+]C(C)C)CC1 53659709 486752275 /nfs/dbraw/zinc/75/22/75/486752275.db2.gz MZZVLCBZPOEFLW-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)C 53648903 486752347 /nfs/dbraw/zinc/75/23/47/486752347.db2.gz FLEQJKKBXFHRRF-GFCCVEGCSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 62072293 486765260 /nfs/dbraw/zinc/76/52/60/486765260.db2.gz DOFLHHCNOZVWII-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 62072286 486765347 /nfs/dbraw/zinc/76/53/47/486765347.db2.gz DOFLHHCNOZVWII-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 62072292 486765813 /nfs/dbraw/zinc/76/58/13/486765813.db2.gz DOFLHHCNOZVWII-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 62072289 486765848 /nfs/dbraw/zinc/76/58/48/486765848.db2.gz DOFLHHCNOZVWII-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC1(C)C 63073479 486768388 /nfs/dbraw/zinc/76/83/88/486768388.db2.gz POYFJBZTQXDCJA-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC1(C)C 63073480 486768474 /nfs/dbraw/zinc/76/84/74/486768474.db2.gz POYFJBZTQXDCJA-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724757 486775689 /nfs/dbraw/zinc/77/56/89/486775689.db2.gz CXBYJIRCFZKLGA-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 69729654 486775802 /nfs/dbraw/zinc/77/58/02/486775802.db2.gz CLOASSJRIBNLSW-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 69723745 486775877 /nfs/dbraw/zinc/77/58/77/486775877.db2.gz XIXRARONPKVEBG-VXGBXAGGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 69723750 486775893 /nfs/dbraw/zinc/77/58/93/486775893.db2.gz XIXRARONPKVEBG-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 69729655 486775911 /nfs/dbraw/zinc/77/59/11/486775911.db2.gz CLOASSJRIBNLSW-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C 673716615 486776351 /nfs/dbraw/zinc/77/63/51/486776351.db2.gz ZSDFWZSRZQSALI-NWDGAFQWSA-N 2 0 198.354 2.059 10 0 AEAERP CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C 673716616 486776502 /nfs/dbraw/zinc/77/65/02/486776502.db2.gz ZSDFWZSRZQSALI-RYUDHWBXSA-N 2 0 198.354 2.059 10 0 AEAERP CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C 673716613 486776614 /nfs/dbraw/zinc/77/66/14/486776614.db2.gz ZSDFWZSRZQSALI-NEPJUHHUSA-N 2 0 198.354 2.059 10 0 AEAERP CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C 673716618 486776662 /nfs/dbraw/zinc/77/66/62/486776662.db2.gz ZSDFWZSRZQSALI-VXGBXAGGSA-N 2 0 198.354 2.059 10 0 AEAERP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)C1 70643880 486791578 /nfs/dbraw/zinc/79/15/78/486791578.db2.gz WMVHSHJVEKOLRX-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)C1 70643882 486791582 /nfs/dbraw/zinc/79/15/82/486791582.db2.gz WMVHSHJVEKOLRX-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)C1 70643875 486791759 /nfs/dbraw/zinc/79/17/59/486791759.db2.gz WMVHSHJVEKOLRX-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)C1 70643877 486792131 /nfs/dbraw/zinc/79/21/31/486792131.db2.gz WMVHSHJVEKOLRX-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)C[NH+]1CCC([NH+](C)C)CC1 674873214 486820084 /nfs/dbraw/zinc/82/00/84/486820084.db2.gz NXWRVPCDDZSRQK-NSHDSACASA-N 2 0 198.354 2.059 10 0 AEAERP CC[C@@H](C)C[NH+]1CCC([NH+](C)C)CC1 674873212 486820494 /nfs/dbraw/zinc/82/04/94/486820494.db2.gz NXWRVPCDDZSRQK-LLVKDONJSA-N 2 0 198.354 2.059 10 0 AEAERP CC[N@H+](CC(C)C)[C@H]1CCC[NH2+]CC1 82666648 486822805 /nfs/dbraw/zinc/82/28/05/486822805.db2.gz INTGOWBNZDQQGZ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666665 486822835 /nfs/dbraw/zinc/82/28/35/486822835.db2.gz CUCVWVGKVJGRTH-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666668 486823055 /nfs/dbraw/zinc/82/30/55/486823055.db2.gz FJLOHYCHYZCQRZ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666862 486823128 /nfs/dbraw/zinc/82/31/28/486823128.db2.gz ZSKDZNXFEIOCSV-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CC(C)C)[C@@H]1CCC[NH2+]CC1 82666647 486823237 /nfs/dbraw/zinc/82/32/37/486823237.db2.gz INTGOWBNZDQQGZ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](C)[C@H]1CCC[NH2+]CC1 82666666 486823434 /nfs/dbraw/zinc/82/34/34/486823434.db2.gz CUCVWVGKVJGRTH-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCCC[N@H+](CC)[C@H]1CCC[NH2+]CC1 82666638 486823473 /nfs/dbraw/zinc/82/34/73/486823473.db2.gz BRGZAIMJQCMGPL-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)CC[N@H+](C)[C@H]1CCC[NH2+]CC1 82666863 486823542 /nfs/dbraw/zinc/82/35/42/486823542.db2.gz ZSKDZNXFEIOCSV-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666667 486823668 /nfs/dbraw/zinc/82/36/68/486823668.db2.gz FJLOHYCHYZCQRZ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](CC)[C@@H]1CCC[NH2+]CC1 82666637 486823756 /nfs/dbraw/zinc/82/37/56/486823756.db2.gz BRGZAIMJQCMGPL-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)C[C@H]([NH3+])C[NH2+]C1(C)CCCC1 82785895 486826012 /nfs/dbraw/zinc/82/60/12/486826012.db2.gz ADOVDEDPBQLICU-NSHDSACASA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[NH2+]C1(C)CCCC1 82785896 486826439 /nfs/dbraw/zinc/82/64/39/486826439.db2.gz ADOVDEDPBQLICU-LLVKDONJSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C)C[C@H](C)[NH2+]C1CC[NH2+]CC1 83863857 486844426 /nfs/dbraw/zinc/84/44/26/486844426.db2.gz HNLBLKNAHCNEND-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH2+]CC1 83863856 486844547 /nfs/dbraw/zinc/84/45/47/486844547.db2.gz HNLBLKNAHCNEND-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH2+]CC1 83863855 486844605 /nfs/dbraw/zinc/84/46/05/486844605.db2.gz HNLBLKNAHCNEND-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH2+]CC1 83863858 486845247 /nfs/dbraw/zinc/84/52/47/486845247.db2.gz HNLBLKNAHCNEND-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP CC[NH+](CC)CCC[N@H+](C)CC1CC1 675640366 486847096 /nfs/dbraw/zinc/84/70/96/486847096.db2.gz YFJYDSDNGMVRTN-UHFFFAOYSA-N 2 0 198.354 2.060 10 0 AEAERP CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84221357 486856994 /nfs/dbraw/zinc/85/69/94/486856994.db2.gz CGOJUQBSXKQZBL-WOPDTQHZSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84221365 486857143 /nfs/dbraw/zinc/85/71/43/486857143.db2.gz COBITPRSCIUWOS-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84221373 486857203 /nfs/dbraw/zinc/85/72/03/486857203.db2.gz COBITPRSCIUWOS-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84221350 486857423 /nfs/dbraw/zinc/85/74/23/486857423.db2.gz CGOJUQBSXKQZBL-GRYCIOLGSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84220642 486857450 /nfs/dbraw/zinc/85/74/50/486857450.db2.gz DOSVRRBLHNFKAS-NNYUYHANSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[N@H+](C)CC[C@H]1CCC[NH+]1C 676222241 486858450 /nfs/dbraw/zinc/85/84/50/486858450.db2.gz HPZKCLOKHWICLG-GFCCVEGCSA-N 2 0 198.354 2.203 10 0 AEAERP CCCC[N@H+](C)CC[C@@H]1CCC[NH+]1C 676222242 486858653 /nfs/dbraw/zinc/85/86/53/486858653.db2.gz HPZKCLOKHWICLG-LBPRGKRZSA-N 2 0 198.354 2.203 10 0 AEAERP CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 86404487 486880133 /nfs/dbraw/zinc/88/01/33/486880133.db2.gz FLXQWEAJMFLAMP-WOPDTQHZSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86402718 486878692 /nfs/dbraw/zinc/87/86/92/486878692.db2.gz DBSLUXCRWAMMBE-SDDRHHMPSA-N 2 0 198.354 2.281 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86402723 486878859 /nfs/dbraw/zinc/87/88/59/486878859.db2.gz DBSLUXCRWAMMBE-SRVKXCTJSA-N 2 0 198.354 2.281 10 0 AEAERP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86404483 486880717 /nfs/dbraw/zinc/88/07/17/486880717.db2.gz FLXQWEAJMFLAMP-GRYCIOLGSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 86500464 486881843 /nfs/dbraw/zinc/88/18/43/486881843.db2.gz DDUXWAFHFXRWSA-NEPJUHHUSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 86500465 486881151 /nfs/dbraw/zinc/88/11/51/486881151.db2.gz DDUXWAFHFXRWSA-NWDGAFQWSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 86500466 486881791 /nfs/dbraw/zinc/88/17/91/486881791.db2.gz DDUXWAFHFXRWSA-VXGBXAGGSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 86500463 486881971 /nfs/dbraw/zinc/88/19/71/486881971.db2.gz DDUXWAFHFXRWSA-RYUDHWBXSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@H](CC)C[NH2+][C@@H]1CC[NH2+]C1 86725176 486884051 /nfs/dbraw/zinc/88/40/51/486884051.db2.gz MIKXRGSNICIDGI-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@@H](CC)C[NH2+][C@@H]1CC[NH2+]C1 86725173 486884179 /nfs/dbraw/zinc/88/41/79/486884179.db2.gz MIKXRGSNICIDGI-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@H](CC)C[NH2+][C@H]1CC[NH2+]C1 86725183 486884275 /nfs/dbraw/zinc/88/42/75/486884275.db2.gz MIKXRGSNICIDGI-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@@H](CC)C[NH2+][C@H]1CC[NH2+]C1 86725181 486884496 /nfs/dbraw/zinc/88/44/96/486884496.db2.gz MIKXRGSNICIDGI-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)CCC[NH2+]C1CCC([NH3+])CC1 86729053 486885392 /nfs/dbraw/zinc/88/53/92/486885392.db2.gz YOUPXAVGBBLCNS-UHFFFAOYSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[C@H](C)C[NH2+]C1CCC([NH3+])CC1 86730424 486887603 /nfs/dbraw/zinc/88/76/03/486887603.db2.gz UECMXKWCSVHDGT-VOMCLLRMSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@@H](C)C[NH2+]C1CCC([NH3+])CC1 86730422 486887619 /nfs/dbraw/zinc/88/76/19/486887619.db2.gz UECMXKWCSVHDGT-UNXYVOJBSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 86884235 486889519 /nfs/dbraw/zinc/88/95/19/486889519.db2.gz AKYMPLLILSOEAR-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 87156864 486891141 /nfs/dbraw/zinc/89/11/41/486891141.db2.gz CEAQGRJEFUIQFH-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP CCC(CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 87156860 486891184 /nfs/dbraw/zinc/89/11/84/486891184.db2.gz CEAQGRJEFUIQFH-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP CCC(CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 87156862 486891202 /nfs/dbraw/zinc/89/12/02/486891202.db2.gz CEAQGRJEFUIQFH-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP CCC(CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 87156866 486891593 /nfs/dbraw/zinc/89/15/93/486891593.db2.gz CEAQGRJEFUIQFH-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC[NH3+] 88131619 486909439 /nfs/dbraw/zinc/90/94/39/486909439.db2.gz ZODOCWGXZHPPHQ-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCC[NH3+] 88131621 486909238 /nfs/dbraw/zinc/90/92/38/486909238.db2.gz ZODOCWGXZHPPHQ-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC[NH3+] 88131620 486909996 /nfs/dbraw/zinc/90/99/96/486909996.db2.gz ZODOCWGXZHPPHQ-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCC[NH3+] 88131622 486910058 /nfs/dbraw/zinc/91/00/58/486910058.db2.gz ZODOCWGXZHPPHQ-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[N@H+](C)CC[C@H]1CCC[NH+]1C 678074519 486916681 /nfs/dbraw/zinc/91/66/81/486916681.db2.gz FMGGCICQJYBDSD-GFCCVEGCSA-N 2 0 198.354 2.059 10 0 AEAERP CC(C)C[N@H+](C)CC[C@@H]1CCC[NH+]1C 678074520 486917007 /nfs/dbraw/zinc/91/70/07/486917007.db2.gz FMGGCICQJYBDSD-LBPRGKRZSA-N 2 0 198.354 2.059 10 0 AEAERP CC[C@@H]1C[N@@H+]([C@@H](C)C(C)C)CC[C@@H]1[NH3+] 122296086 486931713 /nfs/dbraw/zinc/93/17/13/486931713.db2.gz BJCTYLCEIADPCC-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH2+]CCC[NH3+])C1CCCCCC1 135312826 486942123 /nfs/dbraw/zinc/94/21/23/486942123.db2.gz PBZJGPBEPMIFNQ-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H]([NH2+]CCC[NH3+])C1CCCCCC1 135312869 486942347 /nfs/dbraw/zinc/94/23/47/486942347.db2.gz PBZJGPBEPMIFNQ-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)CCC[C@H](C)[NH2+]CCC[NH3+] 135263446 486942502 /nfs/dbraw/zinc/94/25/02/486942502.db2.gz WJWCEOLCWCQJOF-NSHDSACASA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)CCC[C@@H](C)[NH2+]CCC[NH3+] 135263424 486942888 /nfs/dbraw/zinc/94/28/88/486942888.db2.gz WJWCEOLCWCQJOF-LLVKDONJSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 146701325 486951956 /nfs/dbraw/zinc/95/19/56/486951956.db2.gz RUHYPPCIJVDZAH-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 146701449 486953007 /nfs/dbraw/zinc/95/30/07/486953007.db2.gz RUHYPPCIJVDZAH-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP [NH3+]C1CCC([NH2+]CCCC2CC2)CC1 156908457 486963537 /nfs/dbraw/zinc/96/35/37/486963537.db2.gz WATYIQRAQQUJIC-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[NH2+]CC[NH2+]C[C@H](C)CCC 161359196 486979374 /nfs/dbraw/zinc/97/93/74/486979374.db2.gz GIZAVGXENNOTHY-LLVKDONJSA-N 2 0 186.343 2.012 10 0 AEAERP CCC[NH2+]CC[NH2+]C[C@@H](C)CCC 161359304 486979722 /nfs/dbraw/zinc/97/97/22/486979722.db2.gz GIZAVGXENNOTHY-NSHDSACASA-N 2 0 186.343 2.012 10 0 AEAERP C[NH2+]C[C@@H](C)[NH2+]CC1CCC(C)CC1 162115415 486982610 /nfs/dbraw/zinc/98/26/10/486982610.db2.gz GVJOXXBAESBNDE-MOENNCHZSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]C[C@H](C)[NH2+]CC1CCC(C)CC1 162115281 486982811 /nfs/dbraw/zinc/98/28/11/486982811.db2.gz GVJOXXBAESBNDE-CXQJBGSLSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C 162669226 486983889 /nfs/dbraw/zinc/98/38/89/486983889.db2.gz JJQGQUGMWPTFIY-VWYCJHECSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)C 162669046 486984186 /nfs/dbraw/zinc/98/41/86/486984186.db2.gz JJQGQUGMWPTFIY-OUAUKWLOSA-N 2 0 198.354 2.281 10 0 AEAERP C[NH2+]CCC[NH2+]CC1CCC(C)CC1 163310574 486986085 /nfs/dbraw/zinc/98/60/85/486986085.db2.gz FCWMWROQDQIBNC-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[C@H](C)[NH+]1CCC([NH+](C)C)CC1 681669746 487029473 /nfs/dbraw/zinc/02/94/73/487029473.db2.gz ZWWCUQHXPRWBBU-NSHDSACASA-N 2 0 198.354 2.201 10 0 AEAERP CCC[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 681669745 487029486 /nfs/dbraw/zinc/02/94/86/487029486.db2.gz ZWWCUQHXPRWBBU-LLVKDONJSA-N 2 0 198.354 2.201 10 0 AEAERP CCC(C)(CC)[NH2+]C[C@@H]1CCC[NH2+]C1 220389101 487030357 /nfs/dbraw/zinc/03/03/57/487030357.db2.gz NMCQWUYWVGLXQD-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC1CCC(C[NH2+][C@H](C)CC[NH3+])CC1 220519504 487030476 /nfs/dbraw/zinc/03/04/76/487030476.db2.gz SWWMIUTXVNNQPY-MOENNCHZSA-N 2 0 198.354 2.140 10 0 AEAERP CCC(C)(CC)[NH2+]C[C@H]1CCC[NH2+]C1 220389170 487030520 /nfs/dbraw/zinc/03/05/20/487030520.db2.gz NMCQWUYWVGLXQD-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CC1CCC(C[NH2+][C@@H](C)CC[NH3+])CC1 220519435 487030600 /nfs/dbraw/zinc/03/06/00/487030600.db2.gz SWWMIUTXVNNQPY-CXQJBGSLSA-N 2 0 198.354 2.140 10 0 AEAERP CCC(C)(CC)[NH2+]CC1CC[NH2+]CC1 220389013 487030681 /nfs/dbraw/zinc/03/06/81/487030681.db2.gz OZCUDBFUCHMICS-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CN1CCC[C@H]1C[NH2+]CCC(C)(C)C 220636059 487030877 /nfs/dbraw/zinc/03/08/77/487030877.db2.gz BKJSGZCHAKLKDA-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H]1C 222608528 487033957 /nfs/dbraw/zinc/03/39/57/487033957.db2.gz VTZWUZLBKJFOAC-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 226324549 487048916 /nfs/dbraw/zinc/04/89/16/487048916.db2.gz XIXRARONPKVEBG-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 226324543 487049254 /nfs/dbraw/zinc/04/92/54/487049254.db2.gz XIXRARONPKVEBG-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 226332941 487049378 /nfs/dbraw/zinc/04/93/78/487049378.db2.gz CXBYJIRCFZKLGA-GRYCIOLGSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 227054838 487054196 /nfs/dbraw/zinc/05/41/96/487054196.db2.gz AKYMPLLILSOEAR-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC1CCC(C[N@H+](C)CCC[NH3+])CC1 227742535 487055622 /nfs/dbraw/zinc/05/56/22/487055622.db2.gz DVYZFPYNTGBCJB-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 228060211 487057201 /nfs/dbraw/zinc/05/72/01/487057201.db2.gz DRJHQAMYMRKIJX-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 228739707 487061856 /nfs/dbraw/zinc/06/18/56/487061856.db2.gz OJBKQASHSONFFV-NEPJUHHUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 228739716 487062503 /nfs/dbraw/zinc/06/25/03/487062503.db2.gz OJBKQASHSONFFV-RYUDHWBXSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C 228950545 487063300 /nfs/dbraw/zinc/06/33/00/487063300.db2.gz JJQGQUGMWPTFIY-MXWKQRLJSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C 228950525 487063324 /nfs/dbraw/zinc/06/33/24/487063324.db2.gz JJQGQUGMWPTFIY-GMTAPVOTSA-N 2 0 198.354 2.281 10 0 AEAERP CCC1([NH2+]CC[NH2+]C(C)(C)C)CCC1 229505059 487067684 /nfs/dbraw/zinc/06/76/84/487067684.db2.gz ORMLJPYOCKHYJB-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP CCC1([NH2+]C[C@@H]([NH3+])CC(C)C)CCC1 229505418 487067930 /nfs/dbraw/zinc/06/79/30/487067930.db2.gz GIDLOILFFFTVND-NSHDSACASA-N 2 0 198.354 2.282 10 0 AEAERP CCC1([NH2+]C[C@H]([NH3+])CC(C)C)CCC1 229505433 487068038 /nfs/dbraw/zinc/06/80/38/487068038.db2.gz GIDLOILFFFTVND-LLVKDONJSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[C@H]1CCC[C@H]([NH2+]CCC[NH3+])C1 230991909 487076564 /nfs/dbraw/zinc/07/65/64/487076564.db2.gz WYAJWMCDIFDGTG-RYUDHWBXSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCC[NH3+])C1 230991902 487076666 /nfs/dbraw/zinc/07/66/66/487076666.db2.gz WYAJWMCDIFDGTG-VXGBXAGGSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@@H]1CCC[C@H]([NH2+]CCC[NH3+])C1 230991908 487076895 /nfs/dbraw/zinc/07/68/95/487076895.db2.gz WYAJWMCDIFDGTG-NEPJUHHUSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H]1CCC[C@@H]([NH2+]CCC[NH3+])C1 230991905 487077009 /nfs/dbraw/zinc/07/70/09/487077009.db2.gz WYAJWMCDIFDGTG-NWDGAFQWSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)CC[NH2+]C(C)(C)CC[NH3+] 230857496 487077115 /nfs/dbraw/zinc/07/71/15/487077115.db2.gz HMVBYKZAKPUQNI-UHFFFAOYSA-N 2 0 186.343 2.140 10 0 AEAERP CC1(C[NH2+]CC[NH2+]C(C)(C)C)CCC1 232497414 487083082 /nfs/dbraw/zinc/08/30/82/487083082.db2.gz PEHABKFZELYLLJ-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[NH2+]CC1(C)CCC1 232615056 487083983 /nfs/dbraw/zinc/08/39/83/487083983.db2.gz KUZGIIDHGKMLPJ-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[C@H]([NH3+])C[NH2+]CC1(C)CCC1 232622648 487084027 /nfs/dbraw/zinc/08/40/27/487084027.db2.gz KUZGIIDHGKMLPJ-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C(C)(C)C[NH2+]C1CC[NH2+]CC1 232674694 487084350 /nfs/dbraw/zinc/08/43/50/487084350.db2.gz BZRGJVOOIOKJNF-UHFFFAOYSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+]CC1(C)CCC1 232712737 487084740 /nfs/dbraw/zinc/08/47/40/487084740.db2.gz CSLXPVHXQATXJO-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CC1(C[NH2+]CC2([NH3+])CCCC2)CCC1 232857781 487085411 /nfs/dbraw/zinc/08/54/11/487085411.db2.gz ZNWVXZGCMFXAKE-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP CCC(C)(C)C[NH2+]C[C@@]1(C)CC[NH2+]C1 232891592 487086968 /nfs/dbraw/zinc/08/69/68/487086968.db2.gz BMPHIFBTKINKQT-LBPRGKRZSA-N 2 0 198.354 2.012 10 0 AEAERP CCC(C)(C)C[NH2+]C[C@H]1CCC[NH2+]C1 232896946 487087125 /nfs/dbraw/zinc/08/71/25/487087125.db2.gz LGAHQNGCWHNXAK-NSHDSACASA-N 2 0 198.354 2.012 10 0 AEAERP CCC(C)(C)C[NH2+]C[C@]1(C)CC[NH2+]C1 232900685 487087165 /nfs/dbraw/zinc/08/71/65/487087165.db2.gz BMPHIFBTKINKQT-GFCCVEGCSA-N 2 0 198.354 2.012 10 0 AEAERP CCC(C)(C)C[NH2+]C[C@@H]1CCC[NH2+]C1 232886728 487087095 /nfs/dbraw/zinc/08/70/95/487087095.db2.gz LGAHQNGCWHNXAK-LLVKDONJSA-N 2 0 198.354 2.012 10 0 AEAERP CCC([NH3+])(CC)C[NH2+]CC1(C)CCC1 232989608 487087922 /nfs/dbraw/zinc/08/79/22/487087922.db2.gz XOHDFCVTDIVVRZ-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CCC1(C[NH2+]C2CCC([NH3+])CC2)CC1 232992622 487088154 /nfs/dbraw/zinc/08/81/54/487088154.db2.gz NFNJTMNCUDZTTF-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 233280767 487089189 /nfs/dbraw/zinc/08/91/89/487089189.db2.gz LCZNKDUKHINNSD-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 233280803 487089474 /nfs/dbraw/zinc/08/94/74/487089474.db2.gz LCZNKDUKHINNSD-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+]C1CCC([NH3+])CC1 233305510 487090064 /nfs/dbraw/zinc/09/00/64/487090064.db2.gz PODLEYYWVPTYNW-HBIQZDMRSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 233337450 487090258 /nfs/dbraw/zinc/09/02/58/487090258.db2.gz LCZNKDUKHINNSD-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 233337413 487090431 /nfs/dbraw/zinc/09/04/31/487090431.db2.gz LCZNKDUKHINNSD-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H]1C[C@@H]1[NH2+]C1CCC([NH3+])CC1 233401337 487091842 /nfs/dbraw/zinc/09/18/42/487091842.db2.gz PODLEYYWVPTYNW-XKGSQUFQSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@H]1C[C@H]1[NH2+]C1CCC([NH3+])CC1 233394587 487091730 /nfs/dbraw/zinc/09/17/30/487091730.db2.gz PODLEYYWVPTYNW-WNYYMSAVSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@H](CC)[NH2+][C@H]1CCC[C@H]1C[NH3+] 251095885 487114667 /nfs/dbraw/zinc/11/46/67/487114667.db2.gz CGOJUQBSXKQZBL-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1C[NH3+] 251095883 487114945 /nfs/dbraw/zinc/11/49/45/487114945.db2.gz CGOJUQBSXKQZBL-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 251278595 487116041 /nfs/dbraw/zinc/11/60/41/487116041.db2.gz CXBYJIRCFZKLGA-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 251267817 487116151 /nfs/dbraw/zinc/11/61/51/487116151.db2.gz DRJHQAMYMRKIJX-QJPTWQEYSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] 251267355 487116376 /nfs/dbraw/zinc/11/63/76/487116376.db2.gz COBITPRSCIUWOS-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 251278599 487116418 /nfs/dbraw/zinc/11/64/18/487116418.db2.gz CXBYJIRCFZKLGA-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 251239566 487116475 /nfs/dbraw/zinc/11/64/75/487116475.db2.gz AKYMPLLILSOEAR-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] 251267357 487116522 /nfs/dbraw/zinc/11/65/22/487116522.db2.gz COBITPRSCIUWOS-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251239563 487116602 /nfs/dbraw/zinc/11/66/02/487116602.db2.gz AKYMPLLILSOEAR-QJPTWQEYSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 251267821 487116634 /nfs/dbraw/zinc/11/66/34/487116634.db2.gz DRJHQAMYMRKIJX-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CCC[C@H]1C[NH2+]C 251394879 487118201 /nfs/dbraw/zinc/11/82/01/487118201.db2.gz YSYXRTDYBHMGEM-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CCC[C@H]1C[NH2+]C 251394877 487118260 /nfs/dbraw/zinc/11/82/60/487118260.db2.gz YSYXRTDYBHMGEM-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)C[N@H+](C)[C@H]1CCC[NH2+]CC1 251728688 487118971 /nfs/dbraw/zinc/11/89/71/487118971.db2.gz FJLOHYCHYZCQRZ-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] 251716326 487119369 /nfs/dbraw/zinc/11/93/69/487119369.db2.gz DOSVRRBLHNFKAS-BJDJZHNGSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H](C)C[N@H+](C)[C@H]1CCC[NH2+]CC1 251728694 487119563 /nfs/dbraw/zinc/11/95/63/487119563.db2.gz FJLOHYCHYZCQRZ-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 251716329 487119721 /nfs/dbraw/zinc/11/97/21/487119721.db2.gz DOSVRRBLHNFKAS-YFKTTZPYSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] 251716328 487119748 /nfs/dbraw/zinc/11/97/48/487119748.db2.gz DOSVRRBLHNFKAS-FIQHERPVSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 252690477 487126345 /nfs/dbraw/zinc/12/63/45/487126345.db2.gz VAPFQLIVRMPJML-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 252690476 487126430 /nfs/dbraw/zinc/12/64/30/487126430.db2.gz VAPFQLIVRMPJML-QJPTWQEYSA-N 2 0 198.354 2.234 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 252792619 487127599 /nfs/dbraw/zinc/12/75/99/487127599.db2.gz VVAVHGPXXQMGDS-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252792618 487127842 /nfs/dbraw/zinc/12/78/42/487127842.db2.gz VVAVHGPXXQMGDS-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@H]1C 253080800 487131415 /nfs/dbraw/zinc/13/14/15/487131415.db2.gz VTZWUZLBKJFOAC-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@@H]1C 253080802 487131447 /nfs/dbraw/zinc/13/14/47/487131447.db2.gz VTZWUZLBKJFOAC-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@H]1C 253080801 487131976 /nfs/dbraw/zinc/13/19/76/487131976.db2.gz VTZWUZLBKJFOAC-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)(C)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 258776481 487135560 /nfs/dbraw/zinc/13/55/60/487135560.db2.gz BGILGJYOGHWBHZ-SNVBAGLBSA-N 2 0 198.354 2.010 10 0 AEAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 258892621 487135804 /nfs/dbraw/zinc/13/58/04/487135804.db2.gz HCFCCPYCVBRAKE-RYUDHWBXSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+][C@H]1CCC[C@H]1[NH2+]CCC1CCCC1 258892619 487135745 /nfs/dbraw/zinc/13/57/45/487135745.db2.gz HCFCCPYCVBRAKE-NWDGAFQWSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H]([NH3+])CC[NH2+]CCC1CCCCC1 258849331 487135893 /nfs/dbraw/zinc/13/58/93/487135893.db2.gz XDMSXXUQCHLKGW-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)(CC[NH3+])[NH2+]CC1CCCCC1 258816100 487135932 /nfs/dbraw/zinc/13/59/32/487135932.db2.gz LBVPZHHEMLFJMY-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 258892618 487135940 /nfs/dbraw/zinc/13/59/40/487135940.db2.gz HCFCCPYCVBRAKE-NEPJUHHUSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)(C)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1 258776477 487136009 /nfs/dbraw/zinc/13/60/09/487136009.db2.gz BGILGJYOGHWBHZ-JTQLQIEISA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+]CCC1CCCCC1 258849328 487136239 /nfs/dbraw/zinc/13/62/39/487136239.db2.gz XDMSXXUQCHLKGW-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCC1CCCC1 258892622 487137067 /nfs/dbraw/zinc/13/70/67/487137067.db2.gz HCFCCPYCVBRAKE-VXGBXAGGSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 300392559 487143638 /nfs/dbraw/zinc/14/36/38/487143638.db2.gz WXXJITPBKTWNRD-KKOKHZNYSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 300392562 487143501 /nfs/dbraw/zinc/14/35/01/487143501.db2.gz WXXJITPBKTWNRD-WYUUTHIRSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 300392561 487143548 /nfs/dbraw/zinc/14/35/48/487143548.db2.gz WXXJITPBKTWNRD-RHYQMDGZSA-N 2 0 196.338 2.035 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 300392560 487143576 /nfs/dbraw/zinc/14/35/76/487143576.db2.gz WXXJITPBKTWNRD-KXNHARMFSA-N 2 0 196.338 2.035 10 0 AEAERP C[NH+](C)CCC[N@H+](C)CC1(C)CCC1 685452103 487144605 /nfs/dbraw/zinc/14/46/05/487144605.db2.gz XXTPAWXNTKQBGH-UHFFFAOYSA-N 2 0 198.354 2.060 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 306212378 487151759 /nfs/dbraw/zinc/15/17/59/487151759.db2.gz VNNIVMRTIZQKRI-GARJFASQSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 306212379 487151894 /nfs/dbraw/zinc/15/18/94/487151894.db2.gz VNNIVMRTIZQKRI-HBNTYKKESA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 306212376 487151992 /nfs/dbraw/zinc/15/19/92/487151992.db2.gz VNNIVMRTIZQKRI-AXFHLTTASA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 306212377 487152005 /nfs/dbraw/zinc/15/20/05/487152005.db2.gz VNNIVMRTIZQKRI-DCAQKATOSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 306338326 487153682 /nfs/dbraw/zinc/15/36/82/487153682.db2.gz UTLNNLUTSRPCJM-LDMBFOFVSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 306338327 487153695 /nfs/dbraw/zinc/15/36/95/487153695.db2.gz UTLNNLUTSRPCJM-UHFZAUJKSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 306338328 487153755 /nfs/dbraw/zinc/15/37/55/487153755.db2.gz UTLNNLUTSRPCJM-WTPMCQDGSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 306338325 487153767 /nfs/dbraw/zinc/15/37/67/487153767.db2.gz UTLNNLUTSRPCJM-KZZRWZIVSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1 307577433 487184634 /nfs/dbraw/zinc/18/46/34/487184634.db2.gz MAENSJQVQZJVER-ROHXPCBUSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1 307577415 487184653 /nfs/dbraw/zinc/18/46/53/487184653.db2.gz MAENSJQVQZJVER-KZZRWZIVSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1 307577427 487184684 /nfs/dbraw/zinc/18/46/84/487184684.db2.gz MAENSJQVQZJVER-RNWYCLNJSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1 307577421 487184704 /nfs/dbraw/zinc/18/47/04/487184704.db2.gz MAENSJQVQZJVER-LVEVGFFFSA-N 2 0 198.354 2.136 10 0 AEAERP CC(C)CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 308144757 487194836 /nfs/dbraw/zinc/19/48/36/487194836.db2.gz XFXURMRXOHFBSY-AXFHLTTASA-N 2 0 186.343 2.136 10 0 AEAERP CC(C)CC[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] 308144759 487195070 /nfs/dbraw/zinc/19/50/70/487195070.db2.gz XFXURMRXOHFBSY-DCAQKATOSA-N 2 0 186.343 2.136 10 0 AEAERP CC(C)CC[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 308144765 487195073 /nfs/dbraw/zinc/19/50/73/487195073.db2.gz XFXURMRXOHFBSY-HBNTYKKESA-N 2 0 186.343 2.136 10 0 AEAERP CC(C)CC[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] 308144761 487195156 /nfs/dbraw/zinc/19/51/56/487195156.db2.gz XFXURMRXOHFBSY-GARJFASQSA-N 2 0 186.343 2.136 10 0 AEAERP CCC[NH2+]CC[NH2+][C@@H](C)CC(C)C 308181910 487195948 /nfs/dbraw/zinc/19/59/48/487195948.db2.gz HORYBFZFQUSDJS-NSHDSACASA-N 2 0 186.343 2.010 10 0 AEAERP CCC[NH2+]CC[NH2+][C@H](C)CC(C)C 308181909 487196280 /nfs/dbraw/zinc/19/62/80/487196280.db2.gz HORYBFZFQUSDJS-LLVKDONJSA-N 2 0 186.343 2.010 10 0 AEAERP C[C@H](CCCC[NH3+])[NH2+]CC1(C)CCC1 308648868 487205777 /nfs/dbraw/zinc/20/57/77/487205777.db2.gz ITKWBCUDEARJJY-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)C[C@H](C)[NH2+]CCC[NH2+]C1CC1 308460597 487201087 /nfs/dbraw/zinc/20/10/87/487201087.db2.gz GBUHLXKYWUNEFY-NSHDSACASA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]CCC[NH2+]C1CC1 308460596 487201200 /nfs/dbraw/zinc/20/12/00/487201200.db2.gz GBUHLXKYWUNEFY-LLVKDONJSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 308501968 487201887 /nfs/dbraw/zinc/20/18/87/487201887.db2.gz XAMHRHXJSOSLTN-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 308501967 487201943 /nfs/dbraw/zinc/20/19/43/487201943.db2.gz XAMHRHXJSOSLTN-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 308501966 487202203 /nfs/dbraw/zinc/20/22/03/487202203.db2.gz XAMHRHXJSOSLTN-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 308501969 487202234 /nfs/dbraw/zinc/20/22/34/487202234.db2.gz XAMHRHXJSOSLTN-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 308520731 487202766 /nfs/dbraw/zinc/20/27/66/487202766.db2.gz XRTRNEJRKMILTO-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 308564146 487203111 /nfs/dbraw/zinc/20/31/11/487203111.db2.gz ZDNNJWKVCYVEIJ-QJPTWQEYSA-N 2 0 198.354 2.090 10 0 AEAERP CC1CCC(C[NH2+][C@H](C)[C@@H](C)[NH3+])CC1 308549303 487203152 /nfs/dbraw/zinc/20/31/52/487203152.db2.gz QYPMHKNCGVARJM-BFUDSRACSA-N 2 0 198.354 2.138 10 0 AEAERP CC1CCC(C[NH2+][C@@H](C)[C@H](C)[NH3+])CC1 308549312 487203219 /nfs/dbraw/zinc/20/32/19/487203219.db2.gz QYPMHKNCGVARJM-YECOWLKZSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C 308564148 487203356 /nfs/dbraw/zinc/20/33/56/487203356.db2.gz ZDNNJWKVCYVEIJ-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP CC1CCC(C[NH2+][C@@H](C)[C@@H](C)[NH3+])CC1 308549309 487203394 /nfs/dbraw/zinc/20/33/94/487203394.db2.gz QYPMHKNCGVARJM-UPOSSJBDSA-N 2 0 198.354 2.138 10 0 AEAERP CC1CCC(C[NH2+][C@H](C)[C@H](C)[NH3+])CC1 308549306 487203460 /nfs/dbraw/zinc/20/34/60/487203460.db2.gz QYPMHKNCGVARJM-LVFLEHKBSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCC1CC1 308531527 487203477 /nfs/dbraw/zinc/20/34/77/487203477.db2.gz RTPFQRHDXKWPKA-GFCCVEGCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 308564150 487203916 /nfs/dbraw/zinc/20/39/16/487203916.db2.gz ZDNNJWKVCYVEIJ-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@H]1C 308564152 487204106 /nfs/dbraw/zinc/20/41/06/487204106.db2.gz ZDNNJWKVCYVEIJ-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C 308653418 487205783 /nfs/dbraw/zinc/20/57/83/487205783.db2.gz LWMAIVDYIDQKME-GRYCIOLGSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 308653419 487205959 /nfs/dbraw/zinc/20/59/59/487205959.db2.gz LWMAIVDYIDQKME-SDDRHHMPSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C 308653420 487206215 /nfs/dbraw/zinc/20/62/15/487206215.db2.gz LWMAIVDYIDQKME-SRVKXCTJSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1C 308653421 487206267 /nfs/dbraw/zinc/20/62/67/487206267.db2.gz LWMAIVDYIDQKME-WOPDTQHZSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H](CCCC[NH3+])[NH2+]CC1(C)CCC1 308648869 487206413 /nfs/dbraw/zinc/20/64/13/487206413.db2.gz ITKWBCUDEARJJY-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC1CCC([NH2+][C@H](C)[C@H](C)[NH3+])CC1 308692603 487206566 /nfs/dbraw/zinc/20/65/66/487206566.db2.gz RXYYDVOJICWPLB-DMOGRIERSA-N 2 0 198.354 2.281 10 0 AEAERP CC(C)CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C 308660586 487206586 /nfs/dbraw/zinc/20/65/86/487206586.db2.gz POXCYHMFXKCPIX-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C 308655468 487206694 /nfs/dbraw/zinc/20/66/94/487206694.db2.gz NIODQAARUVLRMX-NOOOWODRSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C 308660587 487206767 /nfs/dbraw/zinc/20/67/67/487206767.db2.gz POXCYHMFXKCPIX-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C 308655467 487206795 /nfs/dbraw/zinc/20/67/95/487206795.db2.gz NIODQAARUVLRMX-FIQHERPVSA-N 2 0 198.354 2.138 10 0 AEAERP CCC(CC)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C 308660615 487206881 /nfs/dbraw/zinc/20/68/81/487206881.db2.gz PPPXJXQPMOTLQU-ZYHUDNBSSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(CC)C[NH2+][C@H]1CC[NH2+]C[C@H]1C 308660614 487206928 /nfs/dbraw/zinc/20/69/28/487206928.db2.gz PPPXJXQPMOTLQU-PWSUYJOCSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(CC)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 308660612 487206975 /nfs/dbraw/zinc/20/69/75/487206975.db2.gz PPPXJXQPMOTLQU-CMPLNLGQSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 308660585 487207093 /nfs/dbraw/zinc/20/70/93/487207093.db2.gz POXCYHMFXKCPIX-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C 308660584 487207107 /nfs/dbraw/zinc/20/71/07/487207107.db2.gz POXCYHMFXKCPIX-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(CC)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C 308660613 487207164 /nfs/dbraw/zinc/20/71/64/487207164.db2.gz PPPXJXQPMOTLQU-JQWIXIFHSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C 308655465 487207209 /nfs/dbraw/zinc/20/72/09/487207209.db2.gz NIODQAARUVLRMX-BJDJZHNGSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C 308655470 487207228 /nfs/dbraw/zinc/20/72/28/487207228.db2.gz NIODQAARUVLRMX-RHYQMDGZSA-N 2 0 198.354 2.138 10 0 AEAERP CCC1CCC([NH2+][C@@H](C)[C@H](C)[NH3+])CC1 308692604 487207344 /nfs/dbraw/zinc/20/73/44/487207344.db2.gz RXYYDVOJICWPLB-JYBOHDQNSA-N 2 0 198.354 2.281 10 0 AEAERP CCC1CCC([NH2+][C@@H](C)[C@@H](C)[NH3+])CC1 308692605 487207456 /nfs/dbraw/zinc/20/74/56/487207456.db2.gz RXYYDVOJICWPLB-QKEWWQLBSA-N 2 0 198.354 2.281 10 0 AEAERP CCC1CCC([NH2+][C@H](C)[C@@H](C)[NH3+])CC1 308692606 487207749 /nfs/dbraw/zinc/20/77/49/487207749.db2.gz RXYYDVOJICWPLB-QYNFOATHSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 319097859 487208910 /nfs/dbraw/zinc/20/89/10/487208910.db2.gz DJEVONJHVBSPPN-BJDJZHNGSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 319097864 487208954 /nfs/dbraw/zinc/20/89/54/487208954.db2.gz DJEVONJHVBSPPN-YFKTTZPYSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 319097860 487209027 /nfs/dbraw/zinc/20/90/27/487209027.db2.gz DJEVONJHVBSPPN-FIQHERPVSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 319097862 487209078 /nfs/dbraw/zinc/20/90/78/487209078.db2.gz DJEVONJHVBSPPN-NNYUYHANSA-N 2 0 198.354 2.009 10 0 AEAERP CCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C 379524843 487244295 /nfs/dbraw/zinc/24/42/95/487244295.db2.gz FRIAOEPTBMSIET-GRYCIOLGSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C 379524845 487244614 /nfs/dbraw/zinc/24/46/14/487244614.db2.gz FRIAOEPTBMSIET-SRVKXCTJSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C 379524848 487244635 /nfs/dbraw/zinc/24/46/35/487244635.db2.gz FRIAOEPTBMSIET-WOPDTQHZSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 379524844 487244646 /nfs/dbraw/zinc/24/46/46/487244646.db2.gz FRIAOEPTBMSIET-SDDRHHMPSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 379546427 487245128 /nfs/dbraw/zinc/24/51/28/487245128.db2.gz XCIHEZZNDJISBU-SDDRHHMPSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C 379546436 487245158 /nfs/dbraw/zinc/24/51/58/487245158.db2.gz XCIHEZZNDJISBU-WOPDTQHZSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C 379546426 487245182 /nfs/dbraw/zinc/24/51/82/487245182.db2.gz XCIHEZZNDJISBU-GRYCIOLGSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C 379546428 487245258 /nfs/dbraw/zinc/24/52/58/487245258.db2.gz XCIHEZZNDJISBU-SRVKXCTJSA-N 2 0 198.354 2.009 10 0 AEAERP CC1CCC(C[NH2+]CC(C)(C)[NH3+])CC1 379595884 487246465 /nfs/dbraw/zinc/24/64/65/487246465.db2.gz FABZUSMIWKARPZ-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@H+](C)CCC1CC1 379662644 487247363 /nfs/dbraw/zinc/24/73/63/487247363.db2.gz RTPFQRHDXKWPKA-LBPRGKRZSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@@H]1C 380654364 487248059 /nfs/dbraw/zinc/24/80/59/487248059.db2.gz FBUXRPQPCWPQEF-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@H]1C 380654362 487248256 /nfs/dbraw/zinc/24/82/56/487248256.db2.gz FBUXRPQPCWPQEF-TUAOUCFPSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@@H]1C 380654311 487248486 /nfs/dbraw/zinc/24/84/86/487248486.db2.gz FBUXRPQPCWPQEF-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@H]1C 380654363 487248584 /nfs/dbraw/zinc/24/85/84/487248584.db2.gz FBUXRPQPCWPQEF-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CCC(C)(C)C 389205712 487261994 /nfs/dbraw/zinc/26/19/94/487261994.db2.gz GKYXSZBTWBVYAO-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCC(C)(C)C 389205704 487262036 /nfs/dbraw/zinc/26/20/36/487262036.db2.gz GKYXSZBTWBVYAO-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)C 389205709 487262045 /nfs/dbraw/zinc/26/20/45/487262045.db2.gz GKYXSZBTWBVYAO-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1 389201743 487262102 /nfs/dbraw/zinc/26/21/02/487262102.db2.gz APUMQMWTZWCMOG-YFKTTZPYSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1 389201737 487262190 /nfs/dbraw/zinc/26/21/90/487262190.db2.gz APUMQMWTZWCMOG-KXNHARMFSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)C 389205707 487262198 /nfs/dbraw/zinc/26/21/98/487262198.db2.gz GKYXSZBTWBVYAO-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1 389201739 487262251 /nfs/dbraw/zinc/26/22/51/487262251.db2.gz APUMQMWTZWCMOG-QCNOEVLYSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1 389201733 487262460 /nfs/dbraw/zinc/26/24/60/487262460.db2.gz APUMQMWTZWCMOG-KKOKHZNYSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]CCC1CCCCC1 389293791 487263511 /nfs/dbraw/zinc/26/35/11/487263511.db2.gz JCKWUVFOEZSZPZ-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]CCC1CCCCC1 389293790 487263601 /nfs/dbraw/zinc/26/36/01/487263601.db2.gz JCKWUVFOEZSZPZ-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH2+]CCC1CCCCC1)[C@@H](C)[NH3+] 389293786 487263653 /nfs/dbraw/zinc/26/36/53/487263653.db2.gz JCKWUVFOEZSZPZ-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CCC1CCCCC1 389293783 487263707 /nfs/dbraw/zinc/26/37/07/487263707.db2.gz JCKWUVFOEZSZPZ-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 389318437 487264206 /nfs/dbraw/zinc/26/42/06/487264206.db2.gz QXOVOJMQLKCEPB-KXNHARMFSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]CC1CCCCCC1 389451650 487264220 /nfs/dbraw/zinc/26/42/20/487264220.db2.gz HKKNAKXDADYLFW-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CC1CCCCCC1 389451648 487264241 /nfs/dbraw/zinc/26/42/41/487264241.db2.gz HKKNAKXDADYLFW-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]1CCC[C@H](C[NH2+][C@H](C)[C@@H](C)[NH3+])C1 389318428 487264415 /nfs/dbraw/zinc/26/44/15/487264415.db2.gz QXOVOJMQLKCEPB-KKOKHZNYSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH2+]CC1CCCCCC1)[C@@H](C)[NH3+] 389451649 487264433 /nfs/dbraw/zinc/26/44/33/487264433.db2.gz HKKNAKXDADYLFW-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 389318450 487264525 /nfs/dbraw/zinc/26/45/25/487264525.db2.gz QXOVOJMQLKCEPB-RHYQMDGZSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] 389318474 487264570 /nfs/dbraw/zinc/26/45/70/487264570.db2.gz QXOVOJMQLKCEPB-WYUUTHIRSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]CC1CCCCCC1 389451651 487264605 /nfs/dbraw/zinc/26/46/05/487264605.db2.gz HKKNAKXDADYLFW-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H](C)CC[NH2+]C1CCC([NH3+])CC1 394449852 487270297 /nfs/dbraw/zinc/27/02/97/487270297.db2.gz HDGYBSRVOLCPEV-VOMCLLRMSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](C)CC[NH2+]C1CCC([NH3+])CC1 394449849 487270329 /nfs/dbraw/zinc/27/03/29/487270329.db2.gz HDGYBSRVOLCPEV-UNXYVOJBSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400451724 487287987 /nfs/dbraw/zinc/28/79/87/487287987.db2.gz RFZVERWPZIRNGY-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400451721 487287938 /nfs/dbraw/zinc/28/79/38/487287938.db2.gz RFZVERWPZIRNGY-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400451725 487287973 /nfs/dbraw/zinc/28/79/73/487287973.db2.gz RFZVERWPZIRNGY-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400451722 487288053 /nfs/dbraw/zinc/28/80/53/487288053.db2.gz RFZVERWPZIRNGY-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP C[NH+](C)C1CC([NH2+]C2CCCCC2)C1 655790011 487312427 /nfs/dbraw/zinc/31/24/27/487312427.db2.gz BGRXDAOTTILPAG-UHFFFAOYSA-N 2 0 196.338 2.001 10 0 AEAERP CCC(CC)C[NH2+]C1CC([NH+](C)C)C1 655790820 487312357 /nfs/dbraw/zinc/31/23/57/487312357.db2.gz STLUQMVDFDVLET-UHFFFAOYSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CCC[NH2+]C1CC([NH+](C)C)C1 655792377 487312478 /nfs/dbraw/zinc/31/24/78/487312478.db2.gz JBHIBMXXJAIERB-UHFFFAOYSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 655806763 487312932 /nfs/dbraw/zinc/31/29/32/487312932.db2.gz ASZBKMBVAVFJHK-KLPPZKSPSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 655806185 487312999 /nfs/dbraw/zinc/31/29/99/487312999.db2.gz QSKFOTDGDVYORB-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 655806184 487313043 /nfs/dbraw/zinc/31/30/43/487313043.db2.gz QSKFOTDGDVYORB-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 666774706 487336255 /nfs/dbraw/zinc/33/62/55/487336255.db2.gz ZCACEAIPQWNUPP-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 666757800 487334834 /nfs/dbraw/zinc/33/48/34/487334834.db2.gz YSSHUXVVXIWMAZ-JTQLQIEISA-N 2 0 192.306 2.204 10 0 AEAERP CCC[C@@H](C)C[NH2+]CC[C@@H]1CC[NH2+]C1 666787420 487339336 /nfs/dbraw/zinc/33/93/36/487339336.db2.gz KJEIPWFECNOWGG-VXGBXAGGSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[C@H](C)C[NH2+]CC[C@H]1CC[NH2+]C1 666787419 487339337 /nfs/dbraw/zinc/33/93/37/487339337.db2.gz KJEIPWFECNOWGG-RYUDHWBXSA-N 2 0 198.354 2.012 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@H+](C(C)C)C1CC1 666623324 487330806 /nfs/dbraw/zinc/33/08/06/487330806.db2.gz CFLUXEOBKPQJMS-NSHDSACASA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)(C)C[C@H]1CCC[N@@H+]1CCC[NH3+] 666633575 487330871 /nfs/dbraw/zinc/33/08/71/487330871.db2.gz HNTKLPNLOJJUHX-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)C[C@@H]1CCC[N@@H+]1CCC[NH3+] 666633576 487331204 /nfs/dbraw/zinc/33/12/04/487331204.db2.gz HNTKLPNLOJJUHX-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[N@H+](C(C)C)C1CC1 666623319 487331367 /nfs/dbraw/zinc/33/13/67/487331367.db2.gz CFLUXEOBKPQJMS-LLVKDONJSA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1[C@@H](C)CC[C@H]1C 666650690 487331711 /nfs/dbraw/zinc/33/17/11/487331711.db2.gz DRYSIRMGBBLTEW-GRYCIOLGSA-N 2 0 198.354 2.233 10 0 AEAERP CCC(C)(C)[C@H]1CCC[N@@H+]1CCC[NH3+] 666648094 487331811 /nfs/dbraw/zinc/33/18/11/487331811.db2.gz HGMWWOQAMGPTCF-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@H]([NH3+])C[NH+]1[C@@H](C)CC[C@@H]1C 666650691 487331833 /nfs/dbraw/zinc/33/18/33/487331833.db2.gz DRYSIRMGBBLTEW-SRVKXCTJSA-N 2 0 198.354 2.233 10 0 AEAERP CCC(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C 666652267 487332307 /nfs/dbraw/zinc/33/23/07/487332307.db2.gz ZDDVNKCNVQFDNL-SNVBAGLBSA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)C[C@H]([NH3+])C[NH+]1[C@H](C)CC[C@H]1C 666650693 487332309 /nfs/dbraw/zinc/33/23/09/487332309.db2.gz DRYSIRMGBBLTEW-UTUOFQBUSA-N 2 0 198.354 2.233 10 0 AEAERP CCC(C)(C)[C@@H]1CCC[N@@H+]1CCC[NH3+] 666648095 487332312 /nfs/dbraw/zinc/33/23/12/487332312.db2.gz HGMWWOQAMGPTCF-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C 666652260 487332441 /nfs/dbraw/zinc/33/24/41/487332441.db2.gz ZDDVNKCNVQFDNL-JTQLQIEISA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1[C@@H](C)CC[C@H]1C 666650692 487332456 /nfs/dbraw/zinc/33/24/56/487332456.db2.gz DRYSIRMGBBLTEW-TUAOUCFPSA-N 2 0 198.354 2.233 10 0 AEAERP CCC[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]C1 666764536 487334947 /nfs/dbraw/zinc/33/49/47/487334947.db2.gz IFLKPKUDLHAYGR-VXGBXAGGSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[C@H](C)C[NH2+]C[C@H]1CCC[NH2+]C1 666764534 487334981 /nfs/dbraw/zinc/33/49/81/487334981.db2.gz IFLKPKUDLHAYGR-RYUDHWBXSA-N 2 0 198.354 2.012 10 0 AEAERP CC(C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 666757806 487335034 /nfs/dbraw/zinc/33/50/34/487335034.db2.gz YSSHUXVVXIWMAZ-SNVBAGLBSA-N 2 0 192.306 2.204 10 0 AEAERP CCC[C@@H](C)C[NH2+]C[C@H]1CCC[NH2+]C1 666764524 487335384 /nfs/dbraw/zinc/33/53/84/487335384.db2.gz IFLKPKUDLHAYGR-NEPJUHHUSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[C@H](C)C[NH2+]C[C@@H]1CCC[NH2+]C1 666764533 487335393 /nfs/dbraw/zinc/33/53/93/487335393.db2.gz IFLKPKUDLHAYGR-NWDGAFQWSA-N 2 0 198.354 2.012 10 0 AEAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 666774707 487335622 /nfs/dbraw/zinc/33/56/22/487335622.db2.gz ZCACEAIPQWNUPP-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 666774705 487335681 /nfs/dbraw/zinc/33/56/81/487335681.db2.gz ZCACEAIPQWNUPP-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H]1C[C@@H](C)C[C@H]([NH2+]CC[C@@H](C)[NH3+])C1 666775791 487335799 /nfs/dbraw/zinc/33/57/99/487335799.db2.gz SMZLUGWUCOKNGY-KXNHARMFSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 666774704 487336266 /nfs/dbraw/zinc/33/62/66/487336266.db2.gz ZCACEAIPQWNUPP-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@@H](C)C[NH2+]CC[C@H]1CC[NH2+]C1 666787417 487338988 /nfs/dbraw/zinc/33/89/88/487338988.db2.gz KJEIPWFECNOWGG-NEPJUHHUSA-N 2 0 198.354 2.012 10 0 AEAERP CCC[C@H](C)C[NH2+]CC[C@@H]1CC[NH2+]C1 666787418 487339288 /nfs/dbraw/zinc/33/92/88/487339288.db2.gz KJEIPWFECNOWGG-NWDGAFQWSA-N 2 0 198.354 2.012 10 0 AEAERP [NH3+]C1(C[NH2+]CC2CC2)CCCCCC1 666808179 487339527 /nfs/dbraw/zinc/33/95/27/487339527.db2.gz UGKWCFOFCBOMII-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP CC(C)C[NH2+]CC1([NH3+])CCCCCC1 666808153 487339616 /nfs/dbraw/zinc/33/96/16/487339616.db2.gz BGZPQVVPDTXICC-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 666873262 487344053 /nfs/dbraw/zinc/34/40/53/487344053.db2.gz RDDMSWIFFGNUNG-QJPTWQEYSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@H]1CCC[NH2+]CC1 666856579 487342147 /nfs/dbraw/zinc/34/21/47/487342147.db2.gz RRAIXHUKHLYETD-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 666853126 487342165 /nfs/dbraw/zinc/34/21/65/487342165.db2.gz OIRGFDKZWFGOPZ-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 666853127 487342360 /nfs/dbraw/zinc/34/23/60/487342360.db2.gz OIRGFDKZWFGOPZ-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CCC[NH2+]CC1 666856581 487342280 /nfs/dbraw/zinc/34/22/80/487342280.db2.gz RRAIXHUKHLYETD-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CCC[NH2+]CC1 666856580 487342305 /nfs/dbraw/zinc/34/23/05/487342305.db2.gz RRAIXHUKHLYETD-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 666853125 487342404 /nfs/dbraw/zinc/34/24/04/487342404.db2.gz OIRGFDKZWFGOPZ-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@@H]1CCC[NH2+]CC1 666856582 487342409 /nfs/dbraw/zinc/34/24/09/487342409.db2.gz RRAIXHUKHLYETD-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 666853128 487342498 /nfs/dbraw/zinc/34/24/98/487342498.db2.gz OIRGFDKZWFGOPZ-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 666873263 487344358 /nfs/dbraw/zinc/34/43/58/487344358.db2.gz RDDMSWIFFGNUNG-SDDRHHMPSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 666873264 487344399 /nfs/dbraw/zinc/34/43/99/487344399.db2.gz RDDMSWIFFGNUNG-SRVKXCTJSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 666873265 487344489 /nfs/dbraw/zinc/34/44/89/487344489.db2.gz RDDMSWIFFGNUNG-TUAOUCFPSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)C[NH2+]C1(C)CC[NH2+]CC1 666881383 487345036 /nfs/dbraw/zinc/34/50/36/487345036.db2.gz GPRNWTUPSSKQLZ-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C 666879662 487345099 /nfs/dbraw/zinc/34/50/99/487345099.db2.gz WDRBNVMJIBIQSU-QJPTWQEYSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C 666879664 487345076 /nfs/dbraw/zinc/34/50/76/487345076.db2.gz WDRBNVMJIBIQSU-SRVKXCTJSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C 666879665 487344995 /nfs/dbraw/zinc/34/49/95/487344995.db2.gz WDRBNVMJIBIQSU-TUAOUCFPSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@@H](C)C[NH2+]C1(C)CC[NH2+]CC1 666881382 487345243 /nfs/dbraw/zinc/34/52/43/487345243.db2.gz GPRNWTUPSSKQLZ-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@@H](C)C[NH2+]C[C@@H](C)[NH2+]CC 666877260 487345290 /nfs/dbraw/zinc/34/52/90/487345290.db2.gz YJZPVGYUSBLBFK-GHMZBOCLSA-N 2 0 186.343 2.010 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 666879663 487345454 /nfs/dbraw/zinc/34/54/54/487345454.db2.gz WDRBNVMJIBIQSU-SDDRHHMPSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)C[NH2+]C[C@@H](C)[NH2+]CC 666877261 487345623 /nfs/dbraw/zinc/34/56/23/487345623.db2.gz YJZPVGYUSBLBFK-WDEREUQCSA-N 2 0 186.343 2.010 10 0 AEAERP CCCC[C@H](CC)[NH2+][C@H](C)[C@@H](C)[NH3+] 666931701 487348803 /nfs/dbraw/zinc/34/88/03/487348803.db2.gz GZWGAJYEWWYUMU-MXWKQRLJSA-N 2 0 186.343 2.281 10 0 AEAERP CCCC(CCC)[NH2+][C@@H](C)[C@@H](C)[NH3+] 666930482 487348808 /nfs/dbraw/zinc/34/88/08/487348808.db2.gz OQGRRONACGPHIZ-ZJUUUORDSA-N 2 0 186.343 2.281 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC1CCCC1 666931696 487348846 /nfs/dbraw/zinc/34/88/46/487348846.db2.gz FSUYYOWTGNCODU-OUAUKWLOSA-N 2 0 198.354 2.281 10 0 AEAERP CCCC[C@H](CC)[NH2+][C@H](C)[C@H](C)[NH3+] 666931699 487348891 /nfs/dbraw/zinc/34/88/91/487348891.db2.gz GZWGAJYEWWYUMU-AXFHLTTASA-N 2 0 186.343 2.281 10 0 AEAERP CCCC[C@H](CC)[NH2+][C@@H](C)[C@@H](C)[NH3+] 666931702 487348924 /nfs/dbraw/zinc/34/89/24/487348924.db2.gz GZWGAJYEWWYUMU-VWYCJHECSA-N 2 0 186.343 2.281 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC1CCCC1 666931697 487349000 /nfs/dbraw/zinc/34/90/00/487349000.db2.gz FSUYYOWTGNCODU-VWYCJHECSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH2+][C@H](C)CC1CCCC1)[C@@H](C)[NH3+] 666931695 487349014 /nfs/dbraw/zinc/34/90/14/487349014.db2.gz FSUYYOWTGNCODU-MXWKQRLJSA-N 2 0 198.354 2.281 10 0 AEAERP CCCC[C@H](CC)[NH2+][C@@H](C)[C@H](C)[NH3+] 666931700 487349254 /nfs/dbraw/zinc/34/92/54/487349254.db2.gz GZWGAJYEWWYUMU-DCAQKATOSA-N 2 0 186.343 2.281 10 0 AEAERP CCCC(CCC)[NH2+][C@@H](C)[C@H](C)[NH3+] 666930479 487349271 /nfs/dbraw/zinc/34/92/71/487349271.db2.gz OQGRRONACGPHIZ-UWVGGRQHSA-N 2 0 186.343 2.281 10 0 AEAERP C[C@H](CC1CCCC1)[NH2+][C@H](C)[C@@H](C)[NH3+] 666931694 487349287 /nfs/dbraw/zinc/34/92/87/487349287.db2.gz FSUYYOWTGNCODU-GMTAPVOTSA-N 2 0 198.354 2.281 10 0 AEAERP CCCC(CCC)[NH2+][C@H](C)[C@@H](C)[NH3+] 666930475 487349304 /nfs/dbraw/zinc/34/93/04/487349304.db2.gz OQGRRONACGPHIZ-NXEZZACHSA-N 2 0 186.343 2.281 10 0 AEAERP CCCC(CCC)[NH2+][C@H](C)[C@H](C)[NH3+] 666930480 487349365 /nfs/dbraw/zinc/34/93/65/487349365.db2.gz OQGRRONACGPHIZ-VHSXEESVSA-N 2 0 186.343 2.281 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H](C)CCC[NH3+] 666941498 487349733 /nfs/dbraw/zinc/34/97/33/487349733.db2.gz PDDQKAGAWCBFON-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@@H](C)CCC[NH3+] 666941496 487349942 /nfs/dbraw/zinc/34/99/42/487349942.db2.gz PDDQKAGAWCBFON-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@H](C)CCC[NH3+] 666941495 487350123 /nfs/dbraw/zinc/35/01/23/487350123.db2.gz PDDQKAGAWCBFON-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H](C)CCC[NH3+] 666941497 487350148 /nfs/dbraw/zinc/35/01/48/487350148.db2.gz PDDQKAGAWCBFON-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 666963153 487351003 /nfs/dbraw/zinc/35/10/03/487351003.db2.gz YBSZUUMSQWGUBQ-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 666963152 487351050 /nfs/dbraw/zinc/35/10/50/487351050.db2.gz YBSZUUMSQWGUBQ-SRVKXCTJSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 666963151 487351088 /nfs/dbraw/zinc/35/10/88/487351088.db2.gz YBSZUUMSQWGUBQ-SDDRHHMPSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 666963150 487351409 /nfs/dbraw/zinc/35/14/09/487351409.db2.gz YBSZUUMSQWGUBQ-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 666993020 487351900 /nfs/dbraw/zinc/35/19/00/487351900.db2.gz WUGRMAOEACWNMA-RYUDHWBXSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H]1CCCC[NH2+]C1 666992911 487351927 /nfs/dbraw/zinc/35/19/27/487351927.db2.gz DHOFQYJUNFZPLX-NWDGAFQWSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)(C)CC[NH2+][C@@H]1CCCC[NH2+]C1 666992990 487351976 /nfs/dbraw/zinc/35/19/76/487351976.db2.gz RTEPQEIFDYIEKG-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)CCC[NH2+][C@H]1CCCC[NH2+]C1 666992989 487351981 /nfs/dbraw/zinc/35/19/81/487351981.db2.gz QGBSQBZYRMWYPQ-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 666993021 487352014 /nfs/dbraw/zinc/35/20/14/487352014.db2.gz WUGRMAOEACWNMA-VXGBXAGGSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C 666966035 487352032 /nfs/dbraw/zinc/35/20/32/487352032.db2.gz ADOGAYUSLHUFLF-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 666983183 487352083 /nfs/dbraw/zinc/35/20/83/487352083.db2.gz ZDNNJWKVCYVEIJ-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[C@@H](CC)[NH2+][C@H]1CCCC[NH2+]C1 666992910 487352097 /nfs/dbraw/zinc/35/20/97/487352097.db2.gz DHOFQYJUNFZPLX-NEPJUHHUSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@@H]1CCCC[NH2+]C1 666992477 487352107 /nfs/dbraw/zinc/35/21/07/487352107.db2.gz AUDFCNLVBFSVAJ-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)(C)CC[NH2+][C@H]1CCCC[NH2+]C1 666992991 487352118 /nfs/dbraw/zinc/35/21/18/487352118.db2.gz RTEPQEIFDYIEKG-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C 666966034 487352124 /nfs/dbraw/zinc/35/21/24/487352124.db2.gz ADOGAYUSLHUFLF-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1CCCC[NH2+]C1 666992476 487352154 /nfs/dbraw/zinc/35/21/54/487352154.db2.gz AUDFCNLVBFSVAJ-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CCC(CC)C[NH2+][C@@H]1CCCC[NH2+]C1 666992490 487352164 /nfs/dbraw/zinc/35/21/64/487352164.db2.gz GGMXIUBUEDREQE-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C 666966033 487352175 /nfs/dbraw/zinc/35/21/75/487352175.db2.gz ADOGAYUSLHUFLF-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)CCC[NH2+][C@@H]1CCCC[NH2+]C1 666992988 487352184 /nfs/dbraw/zinc/35/21/84/487352184.db2.gz QGBSQBZYRMWYPQ-GFCCVEGCSA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 666993019 487352233 /nfs/dbraw/zinc/35/22/33/487352233.db2.gz WUGRMAOEACWNMA-NWDGAFQWSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[C@H](CC)[NH2+][C@H]1CCCC[NH2+]C1 666992912 487352252 /nfs/dbraw/zinc/35/22/52/487352252.db2.gz DHOFQYJUNFZPLX-RYUDHWBXSA-N 2 0 198.354 2.297 10 0 AEAERP CCCC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 666993018 487352494 /nfs/dbraw/zinc/35/24/94/487352494.db2.gz WUGRMAOEACWNMA-NEPJUHHUSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@H]1CCCC[NH2+]C1 666992474 487352542 /nfs/dbraw/zinc/35/25/42/487352542.db2.gz AUDFCNLVBFSVAJ-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C 666966036 487352565 /nfs/dbraw/zinc/35/25/65/487352565.db2.gz ADOGAYUSLHUFLF-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CCCC[NH2+]C1 666992475 487352578 /nfs/dbraw/zinc/35/25/78/487352578.db2.gz AUDFCNLVBFSVAJ-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[C@@H](CC)[NH2+][C@@H]1CCCC[NH2+]C1 666992913 487352599 /nfs/dbraw/zinc/35/25/99/487352599.db2.gz DHOFQYJUNFZPLX-VXGBXAGGSA-N 2 0 198.354 2.297 10 0 AEAERP CCC(CC)C[NH2+][C@H]1CCCC[NH2+]C1 666992491 487352662 /nfs/dbraw/zinc/35/26/62/487352662.db2.gz GGMXIUBUEDREQE-LBPRGKRZSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 757125276 582457599 /nfs/dbraw/zinc/45/75/99/582457599.db2.gz DJAIINUBSKGMAP-NEPJUHHUSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C 757135408 582458913 /nfs/dbraw/zinc/45/89/13/582458913.db2.gz ZUGLDBDRVIWPJT-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 757125295 582457512 /nfs/dbraw/zinc/45/75/12/582457512.db2.gz DJAIINUBSKGMAP-VXGBXAGGSA-N 2 0 196.338 2.001 10 0 AEAERP CCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 757126588 582457537 /nfs/dbraw/zinc/45/75/37/582457537.db2.gz GEWYUIXWFSIYIV-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP CC(C)[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C 757124012 582457617 /nfs/dbraw/zinc/45/76/17/582457617.db2.gz BFLCZOOAYSDZCI-NEPJUHHUSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 757125279 582457638 /nfs/dbraw/zinc/45/76/38/582457638.db2.gz DJAIINUBSKGMAP-NWDGAFQWSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 757126453 582457652 /nfs/dbraw/zinc/45/76/52/582457652.db2.gz FTKXGVKFPLQHEN-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 757126456 582457672 /nfs/dbraw/zinc/45/76/72/582457672.db2.gz FTKXGVKFPLQHEN-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 757126593 582457751 /nfs/dbraw/zinc/45/77/51/582457751.db2.gz GEWYUIXWFSIYIV-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C 757124025 582457798 /nfs/dbraw/zinc/45/77/98/582457798.db2.gz BFLCZOOAYSDZCI-VXGBXAGGSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 757126450 582457840 /nfs/dbraw/zinc/45/78/40/582457840.db2.gz FTKXGVKFPLQHEN-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 757125291 582457929 /nfs/dbraw/zinc/45/79/29/582457929.db2.gz DJAIINUBSKGMAP-RYUDHWBXSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C 757124020 582457939 /nfs/dbraw/zinc/45/79/39/582457939.db2.gz BFLCZOOAYSDZCI-RYUDHWBXSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C 757124013 582457988 /nfs/dbraw/zinc/45/79/88/582457988.db2.gz BFLCZOOAYSDZCI-NWDGAFQWSA-N 2 0 196.338 2.001 10 0 AEAERP CCC[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 757126451 582457998 /nfs/dbraw/zinc/45/79/98/582457998.db2.gz FTKXGVKFPLQHEN-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[C@@]12CC[NH2+]C2 757127874 582458588 /nfs/dbraw/zinc/45/85/88/582458588.db2.gz IDJAWSXFXOEYKR-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@]12CC[NH2+]C2 757127887 582458633 /nfs/dbraw/zinc/45/86/33/582458633.db2.gz IDJAWSXFXOEYKR-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCCC[N@@H+]1CCCC12CC[NH2+]CC2 757129485 582458739 /nfs/dbraw/zinc/45/87/39/582458739.db2.gz LRSUFCLJDCFFGT-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[C@@]12CC[NH2+]C2 757127914 582458757 /nfs/dbraw/zinc/45/87/57/582458757.db2.gz IDJAWSXFXOEYKR-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[C@]12CC[NH2+]C2 757127928 582458774 /nfs/dbraw/zinc/45/87/74/582458774.db2.gz IDJAWSXFXOEYKR-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C 757135394 582458874 /nfs/dbraw/zinc/45/88/74/582458874.db2.gz ZUGLDBDRVIWPJT-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 757134155 582459075 /nfs/dbraw/zinc/45/90/75/582459075.db2.gz WLJSCPZYMWGFDD-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C 757135446 582459264 /nfs/dbraw/zinc/45/92/64/582459264.db2.gz ZUGLDBDRVIWPJT-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 757134165 582459279 /nfs/dbraw/zinc/45/92/79/582459279.db2.gz WLJSCPZYMWGFDD-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]C2 757134136 582459407 /nfs/dbraw/zinc/45/94/07/582459407.db2.gz WLJSCPZYMWGFDD-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C 757135429 582459423 /nfs/dbraw/zinc/45/94/23/582459423.db2.gz ZUGLDBDRVIWPJT-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]C2 757134161 582459551 /nfs/dbraw/zinc/45/95/51/582459551.db2.gz WLJSCPZYMWGFDD-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 82474613 582512734 /nfs/dbraw/zinc/51/27/34/582512734.db2.gz JYCOWFWIGKFKDT-MNOVXSKESA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 82474615 582512865 /nfs/dbraw/zinc/51/28/65/582512865.db2.gz JYCOWFWIGKFKDT-QWRGUYRKSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 82474614 582512967 /nfs/dbraw/zinc/51/29/67/582512967.db2.gz JYCOWFWIGKFKDT-WDEREUQCSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 82474612 582513107 /nfs/dbraw/zinc/51/31/07/582513107.db2.gz JYCOWFWIGKFKDT-GHMZBOCLSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H](C)C1 228978715 582514503 /nfs/dbraw/zinc/51/45/03/582514503.db2.gz QBLZGCGBHAOTIP-IJLUTSLNSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[C@@H](C)C1 228978727 582514667 /nfs/dbraw/zinc/51/46/67/582514667.db2.gz QBLZGCGBHAOTIP-GRYCIOLGSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+]C1CCCCCCC1 841035663 582548852 /nfs/dbraw/zinc/54/88/52/582548852.db2.gz LQBMSTNUTJHZJG-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 903458454 582624463 /nfs/dbraw/zinc/62/44/63/582624463.db2.gz AEVYVNPFZMAZHT-QCNOEVLYSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 903458452 582624229 /nfs/dbraw/zinc/62/42/29/582624229.db2.gz AEVYVNPFZMAZHT-KKOKHZNYSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 903458453 582624299 /nfs/dbraw/zinc/62/42/99/582624299.db2.gz AEVYVNPFZMAZHT-KXNHARMFSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 903487696 582625571 /nfs/dbraw/zinc/62/55/71/582625571.db2.gz LDGKGEYMJYKCMH-NSHDSACASA-N 2 0 196.338 2.051 10 0 AEAERP CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 903487695 582625599 /nfs/dbraw/zinc/62/55/99/582625599.db2.gz LDGKGEYMJYKCMH-LLVKDONJSA-N 2 0 196.338 2.051 10 0 AEAERP CCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 903465433 582625730 /nfs/dbraw/zinc/62/57/30/582625730.db2.gz ISLHCEJMFDJZMR-NSHDSACASA-N 2 0 196.338 2.051 10 0 AEAERP CCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 903465431 582625969 /nfs/dbraw/zinc/62/59/69/582625969.db2.gz ISLHCEJMFDJZMR-LLVKDONJSA-N 2 0 196.338 2.051 10 0 AEAERP CCC[C@H](C)C[NH2+]CCC(C)(C)[NH3+] 903939199 582629602 /nfs/dbraw/zinc/62/96/02/582629602.db2.gz UZWMZPSDWWEVAZ-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H](C)C[NH2+]CCC(C)(C)[NH3+] 903939200 582630286 /nfs/dbraw/zinc/63/02/86/582630286.db2.gz UZWMZPSDWWEVAZ-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903963528 582630534 /nfs/dbraw/zinc/63/05/34/582630534.db2.gz ANOCVUPAQBZWQO-GRYCIOLGSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 903968422 582630662 /nfs/dbraw/zinc/63/06/62/582630662.db2.gz VWONFRZYWMAZBI-WOPDTQHZSA-N 2 0 198.354 2.010 10 0 AEAERP CCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903963530 582630743 /nfs/dbraw/zinc/63/07/43/582630743.db2.gz ANOCVUPAQBZWQO-IJLUTSLNSA-N 2 0 198.354 2.153 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903964605 582630778 /nfs/dbraw/zinc/63/07/78/582630778.db2.gz RLPBWZBWKQBKRA-GRYCIOLGSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903963567 582630820 /nfs/dbraw/zinc/63/08/20/582630820.db2.gz BCBXVJVXCBLLGK-IJLUTSLNSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903963566 582631012 /nfs/dbraw/zinc/63/10/12/582631012.db2.gz BCBXVJVXCBLLGK-GRYCIOLGSA-N 2 0 198.354 2.009 10 0 AEAERP CCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 903968421 582631142 /nfs/dbraw/zinc/63/11/42/582631142.db2.gz VWONFRZYWMAZBI-GRYCIOLGSA-N 2 0 198.354 2.010 10 0 AEAERP CCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903964606 582631181 /nfs/dbraw/zinc/63/11/81/582631181.db2.gz RLPBWZBWKQBKRA-IJLUTSLNSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC(CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903964131 582631221 /nfs/dbraw/zinc/63/12/21/582631221.db2.gz MSBLKLUXLRYPNI-ZYHUDNBSSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@H]1C[NH2+]CC1(C)C 904461891 582637921 /nfs/dbraw/zinc/63/79/21/582637921.db2.gz LCARSVQTKRDJKP-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC1(C)C 904461890 582638224 /nfs/dbraw/zinc/63/82/24/582638224.db2.gz LCARSVQTKRDJKP-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H]1C[NH2+]CC1(C)C 904461892 582638250 /nfs/dbraw/zinc/63/82/50/582638250.db2.gz LCARSVQTKRDJKP-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC1(C)C 904461893 582638735 /nfs/dbraw/zinc/63/87/35/582638735.db2.gz LCARSVQTKRDJKP-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CC[N@H+](CC(C)C)[C@H]1CC[NH2+][C@@H](C)C1 229541454 582705990 /nfs/dbraw/zinc/70/59/90/582705990.db2.gz ZCRKHPCZLAXKOD-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](CC(C)C)[C@@H]1CC[NH2+][C@@H](C)C1 229541445 582706162 /nfs/dbraw/zinc/70/61/62/582706162.db2.gz ZCRKHPCZLAXKOD-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CC[NH2+][C@H](C)C1 229540639 582706559 /nfs/dbraw/zinc/70/65/59/582706559.db2.gz WUWDHUFCZPIQCS-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH+](CCC)[C@@H]1CC[NH2+][C@@H](C)C1 229540620 582706706 /nfs/dbraw/zinc/70/67/06/582706706.db2.gz WUWDHUFCZPIQCS-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH+](CCC)[C@H]1CC[NH2+][C@H](C)C1 229540648 582706805 /nfs/dbraw/zinc/70/68/05/582706805.db2.gz WUWDHUFCZPIQCS-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@@H]1C[NH3+] 757214029 582951964 /nfs/dbraw/zinc/95/19/64/582951964.db2.gz KVMIGYCRSVIJBG-USZNOCQGSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@@H]1C[NH3+] 757214030 582951854 /nfs/dbraw/zinc/95/18/54/582951854.db2.gz KVMIGYCRSVIJBG-WYUUTHIRSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@H]1C[NH3+] 757214025 582952033 /nfs/dbraw/zinc/95/20/33/582952033.db2.gz KVMIGYCRSVIJBG-QCNOEVLYSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@H]1C[NH3+] 757214002 582952336 /nfs/dbraw/zinc/95/23/36/582952336.db2.gz KVMIGYCRSVIJBG-KKOKHZNYSA-N 2 0 198.354 2.138 10 0 AEAERP CCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] 817892983 582998591 /nfs/dbraw/zinc/99/85/91/582998591.db2.gz ARIWJFACPPKXMN-MNOVXSKESA-N 2 0 184.327 2.036 10 0 AEAERP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(C)(C)C 817893449 582998607 /nfs/dbraw/zinc/99/86/07/582998607.db2.gz DYIWSPIGNGETOP-VWYCJHECSA-N 2 0 198.354 2.138 10 0 AEAERP CCCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] 817892980 582998814 /nfs/dbraw/zinc/99/88/14/582998814.db2.gz ARIWJFACPPKXMN-GHMZBOCLSA-N 2 0 184.327 2.036 10 0 AEAERP CCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] 817892985 582998921 /nfs/dbraw/zinc/99/89/21/582998921.db2.gz ARIWJFACPPKXMN-QWRGUYRKSA-N 2 0 184.327 2.036 10 0 AEAERP CCCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] 817892987 582999054 /nfs/dbraw/zinc/99/90/54/582999054.db2.gz ARIWJFACPPKXMN-WDEREUQCSA-N 2 0 184.327 2.036 10 0 AEAERP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])C(C)(C)C 817893446 582999090 /nfs/dbraw/zinc/99/90/90/582999090.db2.gz DYIWSPIGNGETOP-MXWKQRLJSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C 817893448 582999148 /nfs/dbraw/zinc/99/91/48/582999148.db2.gz DYIWSPIGNGETOP-OUAUKWLOSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(C)(C)C 817893439 582999312 /nfs/dbraw/zinc/99/93/12/582999312.db2.gz DYIWSPIGNGETOP-GMTAPVOTSA-N 2 0 198.354 2.138 10 0 AEAERP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H]1C(C)C 817943188 582999739 /nfs/dbraw/zinc/99/97/39/582999739.db2.gz KURJAYQOKNRLHY-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H]1C(C)C 817943190 582999771 /nfs/dbraw/zinc/99/97/71/582999771.db2.gz KURJAYQOKNRLHY-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+][C@H](C)CC(C)(C)C 817951285 583000314 /nfs/dbraw/zinc/00/03/14/583000314.db2.gz CPOPZKFUYHGUCP-NXEZZACHSA-N 2 0 186.343 2.138 10 0 AEAERP CC[NH2+]CCC[NH2+][C@H]1CC[C@@H]1C(C)C 817943187 583000408 /nfs/dbraw/zinc/00/04/08/583000408.db2.gz KURJAYQOKNRLHY-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+]CCC[NH2+][C@H]1CC[C@H]1C(C)C 817943189 583000584 /nfs/dbraw/zinc/00/05/84/583000584.db2.gz KURJAYQOKNRLHY-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H](CC(C)(C)C)[NH2+]CC[C@@H](C)[NH3+] 817951289 583000667 /nfs/dbraw/zinc/00/06/67/583000667.db2.gz CPOPZKFUYHGUCP-ZJUUUORDSA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)CCC[NH3+] 817977093 583000894 /nfs/dbraw/zinc/00/08/94/583000894.db2.gz AXBUDDXDAFZRFJ-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H]1C(C)C 817973572 583001048 /nfs/dbraw/zinc/00/10/48/583001048.db2.gz VHUYBTQBVLNRSQ-GRYCIOLGSA-N 2 0 198.354 2.009 10 0 AEAERP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H]1C(C)C 817973574 583001096 /nfs/dbraw/zinc/00/10/96/583001096.db2.gz VHUYBTQBVLNRSQ-IJLUTSLNSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)CCC[NH3+] 817977092 583001555 /nfs/dbraw/zinc/00/15/55/583001555.db2.gz AXBUDDXDAFZRFJ-IJLUTSLNSA-N 2 0 198.354 2.138 10 0 AEAERP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[C@@H]1C(C)C 817973575 583001733 /nfs/dbraw/zinc/00/17/33/583001733.db2.gz VHUYBTQBVLNRSQ-UTUOFQBUSA-N 2 0 198.354 2.009 10 0 AEAERP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[C@H]1C(C)C 817973577 583001793 /nfs/dbraw/zinc/00/17/93/583001793.db2.gz VHUYBTQBVLNRSQ-WOPDTQHZSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)CCC[NH3+] 817977091 583001912 /nfs/dbraw/zinc/00/19/12/583001912.db2.gz AXBUDDXDAFZRFJ-GRYCIOLGSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCC[NH3+] 817977094 583001916 /nfs/dbraw/zinc/00/19/16/583001916.db2.gz AXBUDDXDAFZRFJ-WOPDTQHZSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCCCC[NH3+] 843344388 583131980 /nfs/dbraw/zinc/13/19/80/583131980.db2.gz YMJOTHOWIZSBNN-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1C[C@H]1C 843344387 583132258 /nfs/dbraw/zinc/13/22/58/583132258.db2.gz YMJOTHOWIZSBNN-GRYCIOLGSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1C[C@H]1C 843344390 583132357 /nfs/dbraw/zinc/13/23/57/583132357.db2.gz YMJOTHOWIZSBNN-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCCCC[NH3+] 843344389 583132430 /nfs/dbraw/zinc/13/24/30/583132430.db2.gz YMJOTHOWIZSBNN-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CCC(CC)[NH2+][C@@H]1CC[NH2+]C12CCC2 863482697 583310620 /nfs/dbraw/zinc/31/06/20/583310620.db2.gz KEGLSJZMKKOCJU-LLVKDONJSA-N 2 0 196.338 2.049 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 863487699 583310625 /nfs/dbraw/zinc/31/06/25/583310625.db2.gz USVWLJRUJKQCKF-SDDRHHMPSA-N 2 0 198.354 2.295 10 0 AEAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC(C)(C)C 863548435 583310660 /nfs/dbraw/zinc/31/06/60/583310660.db2.gz PTTKSQGSMQOVCD-OUAUKWLOSA-N 2 0 198.354 2.151 10 0 AEAERP CCCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 863487698 583311016 /nfs/dbraw/zinc/31/10/16/583311016.db2.gz USVWLJRUJKQCKF-GRYCIOLGSA-N 2 0 198.354 2.295 10 0 AEAERP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[NH2+][C@H]1C 863548434 583311025 /nfs/dbraw/zinc/31/10/25/583311025.db2.gz PTTKSQGSMQOVCD-GARJFASQSA-N 2 0 198.354 2.151 10 0 AEAERP CCC(CC)[NH2+][C@H]1CC[NH2+]C12CCC2 863482725 583311361 /nfs/dbraw/zinc/31/13/61/583311361.db2.gz KEGLSJZMKKOCJU-NSHDSACASA-N 2 0 196.338 2.049 10 0 AEAERP CC1(C)CCC(C)([NH2+]CCC[NH3+])CC1 863648827 583312189 /nfs/dbraw/zinc/31/21/89/583312189.db2.gz KHUFZDFNIPJIOY-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 866702735 583332105 /nfs/dbraw/zinc/33/21/05/583332105.db2.gz FVOHWHPIIUVVRX-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 866705004 583332322 /nfs/dbraw/zinc/33/23/22/583332322.db2.gz ZDZGGYFOFGWOAA-GFCCVEGCSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 866702732 583332383 /nfs/dbraw/zinc/33/23/83/583332383.db2.gz FVOHWHPIIUVVRX-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 866705005 583332419 /nfs/dbraw/zinc/33/24/19/583332419.db2.gz ZDZGGYFOFGWOAA-LBPRGKRZSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 122593128 583341967 /nfs/dbraw/zinc/34/19/67/583341967.db2.gz FNSBBYQPFWCRPB-SRVKXCTJSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 122592742 583342350 /nfs/dbraw/zinc/34/23/50/583342350.db2.gz FNSBBYQPFWCRPB-TUAOUCFPSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H]([NH2+]CCC[NH3+])C1CCCCC1 135301081 583482164 /nfs/dbraw/zinc/48/21/64/583482164.db2.gz WHRLSMFNDGQKQI-GFCCVEGCSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H]([NH2+]CCC[NH3+])C1CCCCC1 135301060 583482359 /nfs/dbraw/zinc/48/23/59/583482359.db2.gz WHRLSMFNDGQKQI-LBPRGKRZSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)C[C@H]([NH3+])C[NH2+]C1CCCCC1 40397708 490014138 /nfs/dbraw/zinc/01/41/38/490014138.db2.gz WPLKLADXSFXWIP-NSHDSACASA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCCCC1 40397710 490014311 /nfs/dbraw/zinc/01/43/11/490014311.db2.gz WPLKLADXSFXWIP-LLVKDONJSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(CC)[NH2+]C1CCC([NH3+])CC1 51693162 490015939 /nfs/dbraw/zinc/01/59/39/490015939.db2.gz MTFVTWHEFHWXFF-UHFFFAOYSA-N 2 0 184.327 2.035 10 0 AEAERP CCCCC[NH2+]C1CCC([NH3+])CC1 51693067 490016043 /nfs/dbraw/zinc/01/60/43/490016043.db2.gz AAQWFWCYAIICDE-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC)C1 76453473 490023297 /nfs/dbraw/zinc/02/32/97/490023297.db2.gz CQAGQJNTVZOOMZ-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC)C1 76453472 490023502 /nfs/dbraw/zinc/02/35/02/490023502.db2.gz CQAGQJNTVZOOMZ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 126067997 490036167 /nfs/dbraw/zinc/03/61/67/490036167.db2.gz BDYIBPGLLKOZCB-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCCC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 126067788 490036317 /nfs/dbraw/zinc/03/63/17/490036317.db2.gz BDYIBPGLLKOZCB-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+]C1CCCCC1 129218913 490049417 /nfs/dbraw/zinc/04/94/17/490049417.db2.gz VQVICBKZTCHUCF-GFCCVEGCSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CC[C@](C)(C[NH3+])C1 300353146 490092517 /nfs/dbraw/zinc/09/25/17/490092517.db2.gz UNRJWZNEQDDRJX-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@](C)(C[NH3+])C1 300353145 490092722 /nfs/dbraw/zinc/09/27/22/490092722.db2.gz UNRJWZNEQDDRJX-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP C[N@H+](CCC[NH3+])CCC(C)(C)C1CC1 405746551 490149984 /nfs/dbraw/zinc/14/99/84/490149984.db2.gz QPNGEVYVJLZXQG-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@@H]([NH2+]CCCC[NH+](C)C)C1CC1 83056233 491023505 /nfs/dbraw/zinc/02/35/05/491023505.db2.gz VJVUYYBTEJNXOZ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]([NH2+]CCCC[NH+](C)C)C1CC1 83056232 491023525 /nfs/dbraw/zinc/02/35/25/491023525.db2.gz VJVUYYBTEJNXOZ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+](C)C 83391110 491024148 /nfs/dbraw/zinc/02/41/48/491024148.db2.gz VACADHCVSAMLBX-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCC[C@H]1[NH2+]CCCC[NH+](C)C 83391114 491024149 /nfs/dbraw/zinc/02/41/49/491024149.db2.gz VACADHCVSAMLBX-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+](C)C 83391107 491024202 /nfs/dbraw/zinc/02/42/02/491024202.db2.gz VACADHCVSAMLBX-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+](C)C 83391112 491024212 /nfs/dbraw/zinc/02/42/12/491024212.db2.gz VACADHCVSAMLBX-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C[C@H](C)[NH2+]CC1CC[NH2+]CC1 86700469 491029223 /nfs/dbraw/zinc/02/92/23/491029223.db2.gz DTOCLXIOCGFDAM-NSHDSACASA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 86700466 491029299 /nfs/dbraw/zinc/02/92/99/491029299.db2.gz DTOCLXIOCGFDAM-LLVKDONJSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255189 491030059 /nfs/dbraw/zinc/03/00/59/491030059.db2.gz SAPVBXZFNNZDJQ-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255187 491030200 /nfs/dbraw/zinc/03/02/00/491030200.db2.gz SAPVBXZFNNZDJQ-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 87646358 491031561 /nfs/dbraw/zinc/03/15/61/491031561.db2.gz VIOIXBCJGKTKRE-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 87646360 491031654 /nfs/dbraw/zinc/03/16/54/491031654.db2.gz VIOIXBCJGKTKRE-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 87646354 491031662 /nfs/dbraw/zinc/03/16/62/491031662.db2.gz VIOIXBCJGKTKRE-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 87646356 491031667 /nfs/dbraw/zinc/03/16/67/491031667.db2.gz VIOIXBCJGKTKRE-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[NH2+]C1CCC(C[NH+](C)C)CC1 132933826 491037156 /nfs/dbraw/zinc/03/71/56/491037156.db2.gz AAIBYOUBWDAYSW-UHFFFAOYSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CC1CC1)[NH2+]CCCC[NH+](C)C 132995715 491037191 /nfs/dbraw/zinc/03/71/91/491037191.db2.gz RGIFLHZDISECRN-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CC1CC1)[NH2+]CCCC[NH+](C)C 132995494 491037243 /nfs/dbraw/zinc/03/72/43/491037243.db2.gz RGIFLHZDISECRN-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+]1CCC(CC[NH2+]C(C)C)CC1 132794289 491036867 /nfs/dbraw/zinc/03/68/67/491036867.db2.gz JIUPTVUYYNBWIX-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 227498838 491043679 /nfs/dbraw/zinc/04/36/79/491043679.db2.gz DWCFDGUFQQOZAT-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 227498843 491043721 /nfs/dbraw/zinc/04/37/21/491043721.db2.gz DWCFDGUFQQOZAT-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 227700391 491043784 /nfs/dbraw/zinc/04/37/84/491043784.db2.gz VAPFQLIVRMPJML-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 306323851 491048568 /nfs/dbraw/zinc/04/85/68/491048568.db2.gz KLOXETIFCBQOAU-LDMBFOFVSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 306323853 491048570 /nfs/dbraw/zinc/04/85/70/491048570.db2.gz KLOXETIFCBQOAU-WTPMCQDGSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 306323850 491048512 /nfs/dbraw/zinc/04/85/12/491048512.db2.gz KLOXETIFCBQOAU-KZZRWZIVSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 306323852 491048530 /nfs/dbraw/zinc/04/85/30/491048530.db2.gz KLOXETIFCBQOAU-UHFZAUJKSA-N 2 0 198.354 2.136 10 0 AEAERP C[NH+](C)CCCC[NH2+]C1CC(C)(C)C1 308509139 491109413 /nfs/dbraw/zinc/10/94/13/491109413.db2.gz KBPPCEWQCJOCSR-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH+](C)CCCC[NH2+]CC1(C)CCC1 308623760 491114868 /nfs/dbraw/zinc/11/48/68/491114868.db2.gz YMAVINWKMWXNEY-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@@H]1CC[C@H]1[NH2+]CCCC[NH+](C)C 308626447 491114996 /nfs/dbraw/zinc/11/49/96/491114996.db2.gz WTPBXHYEFLFUOF-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CC[C@@H]1[NH2+]CCCC[NH+](C)C 308626445 491115001 /nfs/dbraw/zinc/11/50/01/491115001.db2.gz WTPBXHYEFLFUOF-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]1CC[C@H]1[NH2+]CCCC[NH+](C)C 308626444 491115036 /nfs/dbraw/zinc/11/50/36/491115036.db2.gz WTPBXHYEFLFUOF-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+](C)C 308626443 491115126 /nfs/dbraw/zinc/11/51/26/491115126.db2.gz WTPBXHYEFLFUOF-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]([NH2+]CCCC[NH+](C)C)C1CCC1 308634558 491115181 /nfs/dbraw/zinc/11/51/81/491115181.db2.gz BYGLXRSNISIGCL-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH2+]CCCC[NH+](C)C)C1CCC1 308634556 491115193 /nfs/dbraw/zinc/11/51/93/491115193.db2.gz BYGLXRSNISIGCL-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C1CC[NH+](CCC=C(C)C)CC1 397614555 491119727 /nfs/dbraw/zinc/11/97/27/491119727.db2.gz DKHJELURBWOINO-UHFFFAOYSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@@H]1CCC[C@@H](C)[NH+]1C1CC[NH2+]CC1 19481619 1188766858 /nfs/dbraw/zinc/76/68/58/1188766858.db2.gz MTFPTBCGCXHFSB-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]1CCC[C@H](C)[NH+]1C1CC[NH2+]CC1 19481623 1188766882 /nfs/dbraw/zinc/76/68/82/1188766882.db2.gz MTFPTBCGCXHFSB-QWRGUYRKSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]1CCC[C@@H](C)[N@@H+]1C1CC[NH2+]CC1 19481621 1188766951 /nfs/dbraw/zinc/76/69/51/1188766951.db2.gz MTFPTBCGCXHFSB-PHIMTYICSA-N 2 0 196.338 2.001 10 0 AEAERP [NH3+][C@@H]1CCC[N@@H+](C2CCCCC2)CC1 75123531 1188774192 /nfs/dbraw/zinc/77/41/92/1188774192.db2.gz FQEUXPWYOUIIKZ-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+][C@H]1CCC[N@@H+](C2CCCCC2)CC1 75123525 1188775430 /nfs/dbraw/zinc/77/54/30/1188775430.db2.gz FQEUXPWYOUIIKZ-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CCCCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 227091128 1188787752 /nfs/dbraw/zinc/78/77/52/1188787752.db2.gz GJECVHCMYNSINP-VXGBXAGGSA-N 2 0 198.354 2.378 10 0 AEAERP CCCCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 227091131 1188787982 /nfs/dbraw/zinc/78/79/82/1188787982.db2.gz GJECVHCMYNSINP-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@@H](CC)N1CC[C@@H]([NH2+]C)C1 227665859 1188789228 /nfs/dbraw/zinc/78/92/28/1188789228.db2.gz BCOUEVSGLUZVJH-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@H](CC)N1CC[C@@H]([NH2+]C)C1 227665862 1188789295 /nfs/dbraw/zinc/78/92/95/1188789295.db2.gz BCOUEVSGLUZVJH-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH+](C)C1CCC([NH2+]C2CCC2)CC1 306245317 1188796970 /nfs/dbraw/zinc/79/69/70/1188796970.db2.gz NKZJKERYXHGZSO-UHFFFAOYSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H](C)C[N@@H+]1CCCC[C@H](C[NH3+])C1 308659952 1188812516 /nfs/dbraw/zinc/81/25/16/1188812516.db2.gz PEPQUDQRYQOXIS-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C)C[N@@H+]1CCCC[C@H](C[NH3+])C1 308659949 1188812539 /nfs/dbraw/zinc/81/25/39/1188812539.db2.gz PEPQUDQRYQOXIS-NWDGAFQWSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH3+] 396764976 1188822958 /nfs/dbraw/zinc/82/29/58/1188822958.db2.gz VYSNKFZAHDDJHO-TUAOUCFPSA-N 2 0 198.354 2.425 10 0 AEAERP CC1(C)CCC[N@@H+]1CCC[NH2+]C1CC1 63066954 697624557 /nfs/dbraw/zinc/62/45/57/697624557.db2.gz NQVSQZPZPWDWGB-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 133083817 697642768 /nfs/dbraw/zinc/64/27/68/697642768.db2.gz LTKHNJKVEPBIBT-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 222919431 697686941 /nfs/dbraw/zinc/68/69/41/697686941.db2.gz DBSLUXCRWAMMBE-TUAOUCFPSA-N 2 0 198.354 2.281 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 222919315 697687003 /nfs/dbraw/zinc/68/70/03/697687003.db2.gz DBSLUXCRWAMMBE-QJPTWQEYSA-N 2 0 198.354 2.281 10 0 AEAERP [NH3+]C1CCC([NH2+]CCC2CCC2)CC1 229083215 697700827 /nfs/dbraw/zinc/70/08/27/697700827.db2.gz ARIDNBBBZCTTNP-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+]C1CC(C[NH2+]C2CCCCCC2)C1 258784898 697717747 /nfs/dbraw/zinc/71/77/47/697717747.db2.gz RAYMRYYHOCRNBV-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1C 386395781 697936152 /nfs/dbraw/zinc/93/61/52/697936152.db2.gz URBJPOXWZXLXBQ-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1C 386395779 697936168 /nfs/dbraw/zinc/93/61/68/697936168.db2.gz URBJPOXWZXLXBQ-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1[C@@H]([NH2+]CCCCCC[NH3+])C[C@H]1C 386395783 697936228 /nfs/dbraw/zinc/93/62/28/697936228.db2.gz URBJPOXWZXLXBQ-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]1[C@H](C)C[C@H]1[NH2+]CCCCCC[NH3+] 386395778 697936374 /nfs/dbraw/zinc/93/63/74/697936374.db2.gz URBJPOXWZXLXBQ-GRYCIOLGSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(C)(C)C 395109805 698032887 /nfs/dbraw/zinc/03/28/87/698032887.db2.gz JAZSXGQFXCQKNV-UTLUCORTSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(C)(C)C 395109802 698033165 /nfs/dbraw/zinc/03/31/65/698033165.db2.gz JAZSXGQFXCQKNV-KXUCPTDWSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H](C)[NH3+] 395109803 698033108 /nfs/dbraw/zinc/03/31/08/698033108.db2.gz JAZSXGQFXCQKNV-OPRDCNLKSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@@H](C)[NH3+] 395109800 698033201 /nfs/dbraw/zinc/03/32/01/698033201.db2.gz JAZSXGQFXCQKNV-BBBLOLIVSA-N 2 0 186.343 2.136 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C 720781752 698067138 /nfs/dbraw/zinc/06/71/38/698067138.db2.gz SFPRYIUSSDZMQH-AXFHLTTASA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C 720770367 698067170 /nfs/dbraw/zinc/06/71/70/698067170.db2.gz YBDUHXUPPPOBDZ-MNOVXSKESA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C 720781757 698067192 /nfs/dbraw/zinc/06/71/92/698067192.db2.gz SFPRYIUSSDZMQH-GARJFASQSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C 720770369 698067303 /nfs/dbraw/zinc/06/73/03/698067303.db2.gz YBDUHXUPPPOBDZ-WDEREUQCSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C 720781754 698067325 /nfs/dbraw/zinc/06/73/25/698067325.db2.gz SFPRYIUSSDZMQH-DCAQKATOSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C 720770366 698067337 /nfs/dbraw/zinc/06/73/37/698067337.db2.gz YBDUHXUPPPOBDZ-GHMZBOCLSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C 720770368 698067531 /nfs/dbraw/zinc/06/75/31/698067531.db2.gz YBDUHXUPPPOBDZ-QWRGUYRKSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C 720781759 698067811 /nfs/dbraw/zinc/06/78/11/698067811.db2.gz SFPRYIUSSDZMQH-HBNTYKKESA-N 2 0 198.354 2.009 10 0 AEAERP CCCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723894632 698074522 /nfs/dbraw/zinc/07/45/22/698074522.db2.gz NVFRRFWWGWJGNH-VXGBXAGGSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCC1CC=CC1 925831293 698175895 /nfs/dbraw/zinc/17/58/95/698175895.db2.gz IOHQOZKMDUHPRR-MNOVXSKESA-N 2 0 196.338 2.058 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCC1CC=CC1 925831299 698175857 /nfs/dbraw/zinc/17/58/57/698175857.db2.gz IOHQOZKMDUHPRR-WDEREUQCSA-N 2 0 196.338 2.058 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC1CC=CC1 925831296 698175914 /nfs/dbraw/zinc/17/59/14/698175914.db2.gz IOHQOZKMDUHPRR-QWRGUYRKSA-N 2 0 196.338 2.058 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC1CC=CC1 925831291 698175990 /nfs/dbraw/zinc/17/59/90/698175990.db2.gz IOHQOZKMDUHPRR-GHMZBOCLSA-N 2 0 196.338 2.058 10 0 AEAERP C[NH+](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] 23071355 343083356 /nfs/dbraw/zinc/08/33/56/343083356.db2.gz ATXGPTDCGGTJQZ-OUAUKWLOSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] 37157448 343161734 /nfs/dbraw/zinc/16/17/34/343161734.db2.gz CECBRUSBUUFCJI-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]1CCC[N@@H+]1C1CCC([NH3+])CC1 55144429 343334200 /nfs/dbraw/zinc/33/42/00/343334200.db2.gz WPYDVRLHQWKMSI-CXQJBGSLSA-N 2 0 196.338 2.131 10 0 AEAERP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(C)(C)C)C1 69724595 343437417 /nfs/dbraw/zinc/43/74/17/343437417.db2.gz JERUHDMPSYTJJX-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 69727964 343438110 /nfs/dbraw/zinc/43/81/10/343438110.db2.gz QCSPIDJKTVSRHY-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CC(C)(C)C 69727697 343438553 /nfs/dbraw/zinc/43/85/53/343438553.db2.gz CRVBNUUMFHFCBZ-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)=CC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C 69729021 343438629 /nfs/dbraw/zinc/43/86/29/343438629.db2.gz QVGYBWMKKQEPTP-VXGBXAGGSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69727970 343438634 /nfs/dbraw/zinc/43/86/34/343438634.db2.gz QCSPIDJKTVSRHY-SRVKXCTJSA-N 2 0 198.354 2.090 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70046263 343468847 /nfs/dbraw/zinc/46/88/47/343468847.db2.gz FKDGMXWNCALNRX-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C1CCC([NH2+]CC[C@@H]2CCC[NH2+]2)CC1 42172234 166086646 /nfs/dbraw/zinc/08/66/46/166086646.db2.gz RAEPSBXSSJSEAY-LBPRGKRZSA-N 2 0 196.338 2.051 10 0 AEAERP C1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 42172237 166087176 /nfs/dbraw/zinc/08/71/76/166087176.db2.gz RAEPSBXSSJSEAY-GFCCVEGCSA-N 2 0 196.338 2.051 10 0 AEAERP C1CCC([NH+]2CCC[NH2+]CCC2)CC1 49665037 166087677 /nfs/dbraw/zinc/08/76/77/166087677.db2.gz XFGXOFHBWPIQRJ-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP C1CCC[NH+](CC[C@H]2CCC[NH2+]2)CC1 42171761 166089471 /nfs/dbraw/zinc/08/94/71/166089471.db2.gz RGLBXDNADYNQDM-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP C1CCC[NH+](C2CC[NH2+]CC2)CCC1 20266060 166089876 /nfs/dbraw/zinc/08/98/76/166089876.db2.gz JUSPAUIELVLQHE-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP C1CCC[NH+](CC[C@@H]2CCC[NH2+]2)CC1 42171759 166090345 /nfs/dbraw/zinc/09/03/45/166090345.db2.gz RGLBXDNADYNQDM-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP C1CC[NH+](CCC[C@@H]2CCC[NH2+]2)CC1 52764283 166090723 /nfs/dbraw/zinc/09/07/23/166090723.db2.gz BHVHMQUSLLAERU-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP C1CC[C@@H](CCC[NH2+]C2CCC2)[NH2+]C1 52212465 166091715 /nfs/dbraw/zinc/09/17/15/166091715.db2.gz GBEGAIJRJCESFX-NSHDSACASA-N 2 0 196.338 2.051 10 0 AEAERP C1CCC[NH2+]CCCCCC[NH2+]CC1 39271522 166091819 /nfs/dbraw/zinc/09/18/19/166091819.db2.gz UJZPFLZOUSHSMP-UHFFFAOYSA-N 2 0 198.354 2.300 10 0 AEAERP C1CC[C@@H](CCC[NH+]2CCCC2)[NH2+]C1 50952252 166092066 /nfs/dbraw/zinc/09/20/66/166092066.db2.gz CPPKOJMMCJGTTK-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP C1CC[NH+](CCC[C@H]2CCC[NH2+]2)CC1 52764284 166092706 /nfs/dbraw/zinc/09/27/06/166092706.db2.gz BHVHMQUSLLAERU-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP C1CC[C@H](CCC[NH+]2CCCC2)[NH2+]C1 50952254 166093846 /nfs/dbraw/zinc/09/38/46/166093846.db2.gz CPPKOJMMCJGTTK-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP C1CC[C@H](CCC[NH2+]C2CCC2)[NH2+]C1 52212468 166095134 /nfs/dbraw/zinc/09/51/34/166095134.db2.gz GBEGAIJRJCESFX-LLVKDONJSA-N 2 0 196.338 2.051 10 0 AEAERP CC(=[NH2+])Nc1cccc(C[NH+](C)C)c1 13780426 166230425 /nfs/dbraw/zinc/23/04/25/166230425.db2.gz HBGZRHPAPXQHAY-UHFFFAOYSA-N 2 0 191.278 2.157 10 0 AEAERP CC(=[NH2+])Nc1ccc(C[NH+](C)C)cc1 26721886 166230939 /nfs/dbraw/zinc/23/09/39/166230939.db2.gz ODTCEPZXLJMZGB-UHFFFAOYSA-N 2 0 191.278 2.157 10 0 AEAERP CC(C)(C)C1CC[NH+](CCC[NH3+])CC1 50346039 166348585 /nfs/dbraw/zinc/34/85/85/166348585.db2.gz WFTGFHPHAOVWTB-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)(C)CC[N@H+](CCC[NH3+])C1CC1 49254358 166350193 /nfs/dbraw/zinc/35/01/93/166350193.db2.gz ULBHREGSWNXXFT-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 70503247 166353922 /nfs/dbraw/zinc/35/39/22/166353922.db2.gz PFPNJGSNVDIAHR-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)C[NH2+]CC[NH2+]C1CCCC1 40495007 166353945 /nfs/dbraw/zinc/35/39/45/166353945.db2.gz SFSXHPABKPTIAY-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 70503244 166354036 /nfs/dbraw/zinc/35/40/36/166354036.db2.gz PFPNJGSNVDIAHR-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)C[NH2+]CC1CCC([NH3+])CC1 40495006 166354153 /nfs/dbraw/zinc/35/41/53/166354153.db2.gz NADYGJFCKAGNRL-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 70503246 166354169 /nfs/dbraw/zinc/35/41/69/166354169.db2.gz PFPNJGSNVDIAHR-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)C[NH2+]CCC1CC[NH2+]CC1 40494943 166354652 /nfs/dbraw/zinc/35/46/52/166354652.db2.gz SYJHHYYQTZPHAQ-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CC(C)(C)C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 70503245 166354657 /nfs/dbraw/zinc/35/46/57/166354657.db2.gz PFPNJGSNVDIAHR-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)[N@@H+]1[C@H]2CCC[C@@H]1CC([NH3+])C2 54601568 166359174 /nfs/dbraw/zinc/35/91/74/166359174.db2.gz SSTXEVPWAPCTMU-FGWVZKOKSA-N 2 0 196.338 2.129 10 0 AEAERP CC(C)(C)[NH2+]CCCC1CC[NH2+]CC1 50952861 166362242 /nfs/dbraw/zinc/36/22/42/166362242.db2.gz FFSYTPSAUSIGPU-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)(C)[NH2+]CC1([NH3+])CCCCC1 40398144 166362547 /nfs/dbraw/zinc/36/25/47/166362547.db2.gz BCFLIHOZFQFQCD-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP CC(C)(C)[NH2+]CCC[NH2+][C@@H]1CC1(C)C 45138000 166364355 /nfs/dbraw/zinc/36/43/55/166364355.db2.gz MXGDNJCMSSSKFM-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)(C)[NH2+]CCC[C@@H]1CCCC[NH2+]1 50952863 166364469 /nfs/dbraw/zinc/36/44/69/166364469.db2.gz WAYDECNHMLVMQE-NSHDSACASA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)(C)[NH2+]Cc1ccc(C[NH3+])cc1 40398084 166365049 /nfs/dbraw/zinc/36/50/49/166365049.db2.gz BLKTXSBYUYVFBN-UHFFFAOYSA-N 2 0 192.306 2.033 10 0 AEAERP CC(C)(C)[NH2+]CCC[NH2+][C@H]1CC1(C)C 45137998 166365052 /nfs/dbraw/zinc/36/50/52/166365052.db2.gz MXGDNJCMSSSKFM-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)(C)[NH2+]CCC[C@H]1CCCC[NH2+]1 50952864 166365187 /nfs/dbraw/zinc/36/51/87/166365187.db2.gz WAYDECNHMLVMQE-LLVKDONJSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)(C)[NH2+]CCC[C@H]1CCC[NH2+]C1 49842979 166365361 /nfs/dbraw/zinc/36/53/61/166365361.db2.gz IDEFUCQKLXIRAF-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)(C)[NH2+]CCC[NH2+]C1CCCC1 40215637 166365790 /nfs/dbraw/zinc/36/57/90/166365790.db2.gz AJGXNOHWHHRMTC-UHFFFAOYSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)(C)[NH2+]C[C@H](N)c1ccccc1 40398112 166365962 /nfs/dbraw/zinc/36/59/62/166365962.db2.gz AHSQQFCXXXKGLE-NSHDSACASA-N 2 0 192.306 2.075 10 0 AEAERP CC(C)(C)[NH2+]CCC[C@@H]1CCC[NH2+]C1 49842977 166366163 /nfs/dbraw/zinc/36/61/63/166366163.db2.gz IDEFUCQKLXIRAF-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)(C)[NH2+][C@@H]1CCCN(C2CC2)C1 73653188 166366167 /nfs/dbraw/zinc/36/61/67/166366167.db2.gz NHCDBZORUDSZAH-SNVBAGLBSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)(C[NH3+])C[NH+]1CCCCCCC1 51213962 166395023 /nfs/dbraw/zinc/39/50/23/166395023.db2.gz CUYKXQOCFJNJMS-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CC(C)([NH3+])C(C)(C)CCCCC[NH3+] 98090997 166398703 /nfs/dbraw/zinc/39/87/03/166398703.db2.gz VWLXVLGHKBDTOC-UHFFFAOYSA-N 2 0 186.343 2.269 10 0 AEAERP CC(C)CC[N@H+](C)CCCCC[NH3+] 49580779 166440812 /nfs/dbraw/zinc/44/08/12/166440812.db2.gz WCLVJGSVDBWVLT-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@@H](C)CC(N)=[NH2+] 42584202 166456410 /nfs/dbraw/zinc/45/64/10/166456410.db2.gz PVQMHJDMDHVUTN-JTQLQIEISA-N 2 0 199.342 2.067 10 0 AEAERP CC(C)C[NH2+]CCC[C@@H]1CCC[NH2+]C1 43591940 166470505 /nfs/dbraw/zinc/47/05/05/166470505.db2.gz LNVWCDYQRPUHFX-GFCCVEGCSA-N 2 0 198.354 2.012 10 0 AEAERP CC1CC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 335030412 166743850 /nfs/dbraw/zinc/74/38/50/166743850.db2.gz CRPWTDRJAQUXRP-QQFIATSDSA-N 2 0 196.338 2.035 10 0 AEAERP CCC1(C[NH3+])CC[NH+](C(C)(C)C)CC1 77296456 166808685 /nfs/dbraw/zinc/80/86/85/166808685.db2.gz CXJSRKBDIICNDC-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC1CC[NH+](CCCC[NH2+]C)CC1 42447471 166813680 /nfs/dbraw/zinc/81/36/80/166813680.db2.gz GJCMQGPFGQXOBV-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCCCC[NH2+]CCC[NH+]1CCCC1 20129213 166867445 /nfs/dbraw/zinc/86/74/45/166867445.db2.gz DYSZVBSYGWPSSQ-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP CCCCC[C@H](C)[NH2+]CC[C@@H](C)[NH3+] 42574169 166873470 /nfs/dbraw/zinc/87/34/70/166873470.db2.gz ASWBIANPEZPQCZ-MNOVXSKESA-N 2 0 186.343 2.282 10 0 AEAERP CCCC[N@H+](CCC[NH2+]CC)C1CC1 42491063 166885293 /nfs/dbraw/zinc/88/52/93/166885293.db2.gz MMQUVCSCMCVRBX-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CCCC[N@H+](CC)CC[C@H]1CCC[NH2+]1 42171846 166887174 /nfs/dbraw/zinc/88/71/74/166887174.db2.gz ZCYSSRUHLFLTEI-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCCC[NH2+]CCC[C@H]1CCC[NH2+]C1 43591953 166897359 /nfs/dbraw/zinc/89/73/59/166897359.db2.gz RCBXLVZPLPUAPT-LBPRGKRZSA-N 2 0 198.354 2.156 10 0 AEAERP CCCC[NH2+]CCC[C@H]1CCCC[NH2+]1 50952946 166897452 /nfs/dbraw/zinc/89/74/52/166897452.db2.gz KFXCUUMDVGYESW-GFCCVEGCSA-N 2 0 198.354 2.298 10 0 AEAERP CCCC[NH2+]CCCC1CC[NH2+]CC1 50952941 166898238 /nfs/dbraw/zinc/89/82/38/166898238.db2.gz JSIBEIGWLNBUAD-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP CCCC[NH2+]CCC[C@@H]1CCCC[NH2+]1 50952944 166898690 /nfs/dbraw/zinc/89/86/90/166898690.db2.gz KFXCUUMDVGYESW-LBPRGKRZSA-N 2 0 198.354 2.298 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@H]([NH3+])CCC 50890046 166913619 /nfs/dbraw/zinc/91/36/19/166913619.db2.gz DEQWBBAXQXKDFT-GHMZBOCLSA-N 2 0 186.343 2.282 10 0 AEAERP CCCC[C@H]([NH3+])C[NH2+]CC(C)(C)C 40495002 166925619 /nfs/dbraw/zinc/92/56/19/166925619.db2.gz XVWKHCBCRCGYAG-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP CCC[N@H+](C)CC1(C[NH2+]C)CCCC1 51215405 166942405 /nfs/dbraw/zinc/94/24/05/166942405.db2.gz HLPNSHDJBXBPMK-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[NH+](CCC)CC[C@@H](C)[NH2+]C 43814737 166956193 /nfs/dbraw/zinc/95/61/93/166956193.db2.gz NPNFGNISFNENBI-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@H+](CCC)[C@H](C)C1 49709133 166997751 /nfs/dbraw/zinc/99/77/51/166997751.db2.gz PDMBCAOQYYZVQY-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H](CC)CN(CC)C1CC1 50179176 167000072 /nfs/dbraw/zinc/00/00/72/167000072.db2.gz WQAWKVHRHLLEGE-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H](CC)[C@H](C)N(C)C1CC1 43823602 167000233 /nfs/dbraw/zinc/00/02/33/167000233.db2.gz RKYDNYWJURLMBZ-CMPLNLGQSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@H](CCC)CN(C)CC 50184726 167000306 /nfs/dbraw/zinc/00/03/06/167000306.db2.gz FTTMTRIHFLSFRQ-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+][C@H](C)CC[N@H+](CC)C1CC1 43822378 167000381 /nfs/dbraw/zinc/00/03/81/167000381.db2.gz AASBRLYHDRWAPW-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H](C)[C@H](C)N1CCCCC1 43814587 167000414 /nfs/dbraw/zinc/00/04/14/167000414.db2.gz NPCURJTZTACPGS-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H](CC)[C@H](C)N(C)CC 43820878 167000450 /nfs/dbraw/zinc/00/04/50/167000450.db2.gz JEOKDAWWFXIQSV-WDEREUQCSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@H](CC)CN1CCC[C@@H]1C 50179404 167000497 /nfs/dbraw/zinc/00/04/97/167000497.db2.gz XXFKCARQYSMIAK-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H](C)[C@H](C)N(C)C(C)C 43813861 167000699 /nfs/dbraw/zinc/00/06/99/167000699.db2.gz LPCTYDUSCXSWLS-MNOVXSKESA-N 2 0 186.343 2.103 10 0 AEAERP CCC[NH2+][C@H](CC)[C@@H](C)N(C)C1CC1 43823596 167000939 /nfs/dbraw/zinc/00/09/39/167000939.db2.gz RKYDNYWJURLMBZ-ZYHUDNBSSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@H](CC)CN(C)C(C)C 50166400 167001054 /nfs/dbraw/zinc/00/10/54/167001054.db2.gz MRCFSRMVGQXUJJ-LLVKDONJSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@H](CC)[C@@H](C)N(C)CC 43820872 167001109 /nfs/dbraw/zinc/00/11/09/167001109.db2.gz JEOKDAWWFXIQSV-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@H](C)[C@H](C)N(C)CCC 43886484 167001135 /nfs/dbraw/zinc/00/11/35/167001135.db2.gz JHNQTTFUFSDMAQ-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@H](C)[C@H](C)N1CCC[C@@H]1C 43903960 167001153 /nfs/dbraw/zinc/00/11/53/167001153.db2.gz QORMMEWMHVIMDW-TUAOUCFPSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[NH2+][C@H](C)CC[NH+]1CCCCC1 43814573 167001203 /nfs/dbraw/zinc/00/12/03/167001203.db2.gz QVKFJZKLHWIFJX-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[NH2+][C@H](CC)CN(C)CCC 50179224 167001302 /nfs/dbraw/zinc/00/13/02/167001302.db2.gz CLTGGTVSJAYCFX-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+][C@H]1CC[N@H+](CCC)C[C@@H]1C 49709117 167003408 /nfs/dbraw/zinc/00/34/08/167003408.db2.gz KYMWMZXZZWNEFO-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@H]1CC[N@H+](CCC)[C@H](C)C1 49709135 167003501 /nfs/dbraw/zinc/00/35/01/167003501.db2.gz PDMBCAOQYYZVQY-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CCCC[C@@H]1C[NH+](C)C 26443065 167003783 /nfs/dbraw/zinc/00/37/83/167003783.db2.gz JMBMIRGQVVFLSG-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@H]1CCCC[C@H]1C[NH+](C)C 26443070 167004134 /nfs/dbraw/zinc/00/41/34/167004134.db2.gz JMBMIRGQVVFLSG-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[NH2+][C@H]1CC[N@H+](CCC)C[C@H]1C 242547909 167004177 /nfs/dbraw/zinc/00/41/77/167004177.db2.gz KYMWMZXZZWNEFO-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)C[N@H+](CC)CCC[NH3+] 51297705 167028867 /nfs/dbraw/zinc/02/88/67/167028867.db2.gz DTNBMQIWNMGYIS-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@@H](C)C[N@H+](CC)CCC(N)=[NH2+] 51320853 167028999 /nfs/dbraw/zinc/02/89/99/167028999.db2.gz VRQCIAGNABUPCE-SNVBAGLBSA-N 2 0 199.342 2.071 10 0 AEAERP CCC[C@@H](C)C[NH+]1CCC(C[NH3+])CC1 49954061 167029210 /nfs/dbraw/zinc/02/92/10/167029210.db2.gz SECJYHKUJSKHDP-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](C)C[N@H+](CCC[NH3+])C1CC1 51297715 167029253 /nfs/dbraw/zinc/02/92/53/167029253.db2.gz SIYBQZIRERUPRK-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)C[NH+]1CCC([NH2+]C)CC1 51296947 167030301 /nfs/dbraw/zinc/03/03/01/167030301.db2.gz UIAOIESSHJGZPD-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)C[NH2+]C1CCC([NH3+])CC1 51693039 167030828 /nfs/dbraw/zinc/03/08/28/167030828.db2.gz PZMVKEMVEOCHBL-VOMCLLRMSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1C[NH2+]C 51321011 167030888 /nfs/dbraw/zinc/03/08/88/167030888.db2.gz YSYXRTDYBHMGEM-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CCC[NH2+]CC 42409627 167031307 /nfs/dbraw/zinc/03/13/07/167031307.db2.gz MVNCFOJDXPSPRC-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] 51218084 167031468 /nfs/dbraw/zinc/03/14/68/167031468.db2.gz VSJVUTXMWKCVCH-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[NH2+]C[C@H](C)C1 49663944 167031556 /nfs/dbraw/zinc/03/15/56/167031556.db2.gz FQPNIQZRQLAXRB-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CC[C@@H](C)[NH2+]C 43896389 167031666 /nfs/dbraw/zinc/03/16/66/167031666.db2.gz RZNCFCOJAKCOEP-GHMZBOCLSA-N 2 0 186.343 2.105 10 0 AEAERP CCC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749394 167031919 /nfs/dbraw/zinc/03/19/19/167031919.db2.gz BWOYOCAHAXWTMR-WAAKLRNESA-N 2 0 196.338 2.129 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C)CC1 44390292 167031990 /nfs/dbraw/zinc/03/19/90/167031990.db2.gz XYUYWJUXBVAUNW-VXGBXAGGSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C1CCC([NH3+])CC1 55144379 167032824 /nfs/dbraw/zinc/03/28/24/167032824.db2.gz NBTYFSYTHOMLQP-VOMCLLRMSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CCCCC(N)=[NH2+] 49579732 167033269 /nfs/dbraw/zinc/03/32/69/167033269.db2.gz RJYCFTMTMJUAEV-SNVBAGLBSA-N 2 0 199.342 2.213 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CCCCC[NH3+] 49580695 167033617 /nfs/dbraw/zinc/03/36/17/167033617.db2.gz YFWMXCXDFLSZBK-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CCC[C@@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]1 42172102 167033650 /nfs/dbraw/zinc/03/36/50/167033650.db2.gz PNWNJUVLHMBOMC-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H](C)[NH2+]CCCC[NH+](C)C 45662900 167036513 /nfs/dbraw/zinc/03/65/13/167036513.db2.gz NMVNOFKDWSZUSU-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@@H](CC)[NH+]1CCC([NH2+]C)CC1 50404956 167038378 /nfs/dbraw/zinc/03/83/78/167038378.db2.gz DFKSVFYNOYOHCA-GFCCVEGCSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H](CC)[NH+]1CCC[NH2+]CCC1 50407964 167038766 /nfs/dbraw/zinc/03/87/66/167038766.db2.gz RCBGUSJWGMKTNL-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@@H](C[N@@H+]1CCC[C@@H]1CC)[NH2+]C 50185064 167041850 /nfs/dbraw/zinc/04/18/50/167041850.db2.gz DDKPELBZFWLOIW-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H]([NH3+])C[N@H+](C)CCC(C)C 42457908 167043903 /nfs/dbraw/zinc/04/39/03/167043903.db2.gz IFESUETXPCKXON-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@@H]([NH3+])C[NH+]1CCC(CC)CC1 42447469 167044906 /nfs/dbraw/zinc/04/49/06/167044906.db2.gz JTMOIWNTSPZSQS-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H]([NH3+])C[NH2+]C1(C)CCCCC1 45047270 167045188 /nfs/dbraw/zinc/04/51/88/167045188.db2.gz PURGXFYTNHIJDA-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CCC[C@@](C)(C[NH2+]C)C[NH+]1CCCC1 51207978 167057534 /nfs/dbraw/zinc/05/75/34/167057534.db2.gz QJUMHWYOFWZCQB-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[N@@H+]1CCC[C@@H]1C 51205626 167057869 /nfs/dbraw/zinc/05/78/69/167057869.db2.gz XIFIDSVEYUTYDW-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[N@H+](C)CC1CC1 51249731 167058325 /nfs/dbraw/zinc/05/83/25/167058325.db2.gz HVWOKNQYVIMJTJ-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@](C)([NH3+])C[NH+]1CCC(C)CC1 37480774 167059100 /nfs/dbraw/zinc/05/91/00/167059100.db2.gz PPZRNOPKPCRBMS-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[N@H+](CC)C1CC1 51215054 167059152 /nfs/dbraw/zinc/05/91/52/167059152.db2.gz BOFJIJJTXCOZPL-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[N@H+](C)C(C)C 51210901 167059401 /nfs/dbraw/zinc/05/94/01/167059401.db2.gz SSDSFZYTRHTOLI-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@@](C)(C[NH2+]C1CC1)C[NH+](C)C 51214384 167060024 /nfs/dbraw/zinc/06/00/24/167060024.db2.gz QJUGRBBREUGZQB-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[NH+]1CCCCC1 51211078 167060040 /nfs/dbraw/zinc/06/00/40/167060040.db2.gz RMYBMTKXTPQVJO-LBPRGKRZSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[C@@](C)(C[NH2+]C)C[N@H+](C)C1CC1 51215120 167060307 /nfs/dbraw/zinc/06/03/07/167060307.db2.gz MFUYBAIKBDCXJM-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@](C)([NH3+])C[NH2+]CC(C)(C)C 40495005 167060375 /nfs/dbraw/zinc/06/03/75/167060375.db2.gz REENFBRVUREEMJ-LLVKDONJSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@](C)(C[NH3+])C[NH+](CC)CC 51208559 167060404 /nfs/dbraw/zinc/06/04/04/167060404.db2.gz OJRHVQHYVXNSBJ-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@H](C)C[N@H+](CC)CCC[NH3+] 51297707 167064484 /nfs/dbraw/zinc/06/44/84/167064484.db2.gz DTNBMQIWNMGYIS-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@H](C)C[N@H+](CCC[NH3+])C1CC1 51297717 167064782 /nfs/dbraw/zinc/06/47/82/167064782.db2.gz SIYBQZIRERUPRK-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CCC[C@@H]1C[NH2+]C 51321013 167064799 /nfs/dbraw/zinc/06/47/99/167064799.db2.gz YSYXRTDYBHMGEM-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)C[NH+]1CCC([NH2+]C)CC1 51296948 167065063 /nfs/dbraw/zinc/06/50/63/167065063.db2.gz UIAOIESSHJGZPD-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)C[N@H+](CC)CCC(N)=[NH2+] 51320855 167065263 /nfs/dbraw/zinc/06/52/63/167065263.db2.gz VRQCIAGNABUPCE-JTQLQIEISA-N 2 0 199.342 2.071 10 0 AEAERP CCC[C@H](C)C[NH+]1CCC(C[NH3+])CC1 49954062 167065282 /nfs/dbraw/zinc/06/52/82/167065282.db2.gz SECJYHKUJSKHDP-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@H](C)C[NH2+]C1CCC([NH3+])CC1 51693041 167065696 /nfs/dbraw/zinc/06/56/96/167065696.db2.gz PZMVKEMVEOCHBL-UNXYVOJBSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749395 167066046 /nfs/dbraw/zinc/06/60/46/167066046.db2.gz BWOYOCAHAXWTMR-YEJSDXFRSA-N 2 0 196.338 2.129 10 0 AEAERP CCC[C@H](C)[N@H+](C)CCC[NH2+]CC 42409628 167066396 /nfs/dbraw/zinc/06/63/96/167066396.db2.gz MVNCFOJDXPSPRC-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@H](C)[N@H+](C)CC[C@@H](C)[NH2+]C 43896391 167067055 /nfs/dbraw/zinc/06/70/55/167067055.db2.gz RZNCFCOJAKCOEP-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CCC[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]1 42172106 167067118 /nfs/dbraw/zinc/06/71/18/167067118.db2.gz PNWNJUVLHMBOMC-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[N@H+](C)CCCCC(N)=[NH2+] 49579733 167067223 /nfs/dbraw/zinc/06/72/23/167067223.db2.gz RJYCFTMTMJUAEV-JTQLQIEISA-N 2 0 199.342 2.213 10 0 AEAERP CCC[C@H](C)[N@H+](C)CCCCC[NH3+] 49580696 167067482 /nfs/dbraw/zinc/06/74/82/167067482.db2.gz YFWMXCXDFLSZBK-NSHDSACASA-N 2 0 186.343 2.236 10 0 AEAERP CCC[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] 51218085 167067860 /nfs/dbraw/zinc/06/78/60/167067860.db2.gz VSJVUTXMWKCVCH-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[NH2+]C[C@H](C)C1 49663945 167068049 /nfs/dbraw/zinc/06/80/49/167068049.db2.gz FQPNIQZRQLAXRB-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[NH2+][C@H](C)CC1 44390295 167068064 /nfs/dbraw/zinc/06/80/64/167068064.db2.gz XYUYWJUXBVAUNW-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[N@H+](C)C1CCC([NH3+])CC1 55144381 167068197 /nfs/dbraw/zinc/06/81/97/167068197.db2.gz NBTYFSYTHOMLQP-UNXYVOJBSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[C@H](C)[NH2+]CCCC[NH+](C)C 45662902 167071293 /nfs/dbraw/zinc/07/12/93/167071293.db2.gz NMVNOFKDWSZUSU-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[C@H](CC)[NH+]1CCC([NH2+]C)CC1 50404958 167076851 /nfs/dbraw/zinc/07/68/51/167076851.db2.gz DFKSVFYNOYOHCA-LBPRGKRZSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](CC)[NH+]1CCC[NH2+]CCC1 50407966 167076934 /nfs/dbraw/zinc/07/69/34/167076934.db2.gz RCBGUSJWGMKTNL-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@H](C[N@@H+]1CCC[C@@H]1CC)[NH2+]C 50185065 167078977 /nfs/dbraw/zinc/07/89/77/167078977.db2.gz DDKPELBZFWLOIW-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H]([NH3+])C[N@H+](C)CCC(C)C 42457906 167080328 /nfs/dbraw/zinc/08/03/28/167080328.db2.gz IFESUETXPCKXON-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@H]([NH3+])C[NH2+]C1(C)CCCCC1 45047269 167081197 /nfs/dbraw/zinc/08/11/97/167081197.db2.gz PURGXFYTNHIJDA-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CCC[C@H]([NH3+])C[NH+]1CCC(CC)CC1 42447467 167081720 /nfs/dbraw/zinc/08/17/20/167081720.db2.gz JTMOIWNTSPZSQS-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@](C)(C[NH3+])C[N@@H+]1CCC[C@@H]1C 51205629 167092157 /nfs/dbraw/zinc/09/21/57/167092157.db2.gz XIFIDSVEYUTYDW-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@](C)(C[NH3+])C[N@H+](C)C(C)C 51210903 167092371 /nfs/dbraw/zinc/09/23/71/167092371.db2.gz SSDSFZYTRHTOLI-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[C@](C)(C[NH3+])C[NH+](CC)CC 51208562 167092684 /nfs/dbraw/zinc/09/26/84/167092684.db2.gz OJRHVQHYVXNSBJ-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CCC[C@](C)(C[NH3+])C[NH+]1CCCCC1 51211080 167093685 /nfs/dbraw/zinc/09/36/85/167093685.db2.gz RMYBMTKXTPQVJO-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[C@](C)(C[NH3+])C[N@H+](CC)C1CC1 51215055 167093784 /nfs/dbraw/zinc/09/37/84/167093784.db2.gz BOFJIJJTXCOZPL-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@](C)(C[NH2+]C)C[NH+]1CCCC1 51207987 167093791 /nfs/dbraw/zinc/09/37/91/167093791.db2.gz QJUMHWYOFWZCQB-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@](C)([NH3+])C[NH+]1CCC(C)CC1 37480773 167094240 /nfs/dbraw/zinc/09/42/40/167094240.db2.gz PPZRNOPKPCRBMS-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@](C)(C[NH2+]C)C[N@H+](C)C1CC1 51215121 167094340 /nfs/dbraw/zinc/09/43/40/167094340.db2.gz MFUYBAIKBDCXJM-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@](C)(C[NH2+]C1CC1)C[NH+](C)C 51214385 167094352 /nfs/dbraw/zinc/09/43/52/167094352.db2.gz QJUGRBBREUGZQB-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@](C)(C[NH3+])C[N@H+](C)CC1CC1 51249732 167094792 /nfs/dbraw/zinc/09/47/92/167094792.db2.gz HVWOKNQYVIMJTJ-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@](C)([NH3+])C[NH2+]CC(C)(C)C 40495004 167094925 /nfs/dbraw/zinc/09/49/25/167094925.db2.gz REENFBRVUREEMJ-NSHDSACASA-N 2 0 186.343 2.140 10 0 AEAERP CCC[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C 49694190 167002962 /nfs/dbraw/zinc/00/29/62/167002962.db2.gz HJWQUFFEFYIFIK-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](C(C)C)[C@H]1CCCC[C@@H]1C[NH3+] 37159291 167129553 /nfs/dbraw/zinc/12/95/53/167129553.db2.gz VWHOTIOJUNTJHQ-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](C(C)C)[C@@H]1CCCC[C@@H]1C[NH3+] 37159289 167131418 /nfs/dbraw/zinc/13/14/18/167131418.db2.gz VWHOTIOJUNTJHQ-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](C)CC1(C[NH2+]C)CCCCC1 51214975 167141939 /nfs/dbraw/zinc/14/19/39/167141939.db2.gz KKCMBFJFAYBYNP-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[N@H+](C)C[C@H]1CCCCC[C@@H]1[NH2+]C 53865264 167144943 /nfs/dbraw/zinc/14/49/43/167144943.db2.gz RNUIDXIHCCXBRI-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C)C[C@@H]1CCCCC[C@@H]1[NH2+]C 53865263 167145812 /nfs/dbraw/zinc/14/58/12/167145812.db2.gz RNUIDXIHCCXBRI-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C)C[C@@](C)(CC)C[NH2+]C1CC1 51215018 167147068 /nfs/dbraw/zinc/14/70/68/167147068.db2.gz VANXKPSHERZKMK-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C)C[C@](C)(CC)C[NH2+]C1CC1 51215019 167147928 /nfs/dbraw/zinc/14/79/28/167147928.db2.gz VANXKPSHERZKMK-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C1CCCC1)C1CC[NH2+]CC1 35766401 167152744 /nfs/dbraw/zinc/15/27/44/167152744.db2.gz LVEDTSGCJRZKDI-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H]1CCCCC[N@@H+]1C1CC([NH3+])C1 134379425 343941953 /nfs/dbraw/zinc/94/19/53/343941953.db2.gz ZVMHSUXPFACJAD-MOENNCHZSA-N 2 0 196.338 2.131 10 0 AEAERP CC[N@H+](CC(C)(C)C[NH3+])C1CCCC1 51216852 167156121 /nfs/dbraw/zinc/15/61/21/167156121.db2.gz NPXVCUVKKFLUOA-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CC(CC)(CC)C[NH3+])C1CC1 51215046 167157067 /nfs/dbraw/zinc/15/70/67/167157067.db2.gz OCNKEQJVABJRCQ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CC(C)C)C1CCC([NH3+])CC1 55144323 167158673 /nfs/dbraw/zinc/15/86/73/167158673.db2.gz BERKCEUUDFGHFM-UHFFFAOYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+](CC)CCCC[C@@H](C)[NH2+]C 45598626 167165187 /nfs/dbraw/zinc/16/51/87/167165187.db2.gz JWSFQGXSKAZCDF-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH+](CC)CCC[C@H]1CCCC[NH2+]1 34327148 167165574 /nfs/dbraw/zinc/16/55/74/167165574.db2.gz KTPQNPQODXDJBK-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH+](CC)CCCC[C@H](C)[NH2+]C 45598627 167166103 /nfs/dbraw/zinc/16/61/03/167166103.db2.gz JWSFQGXSKAZCDF-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH+](CC)CC[C@H]([NH3+])C(C)(C)C 26510894 167166245 /nfs/dbraw/zinc/16/62/45/167166245.db2.gz NKBYEYHWWDYIHM-JTQLQIEISA-N 2 0 186.343 2.092 10 0 AEAERP CC[NH+](CC)CC[C@@H]([NH3+])C(C)(C)C 26510891 167166672 /nfs/dbraw/zinc/16/66/72/167166672.db2.gz NKBYEYHWWDYIHM-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP CC[NH+](CC)CCC[C@@H]1CCCC[NH2+]1 34327146 167168229 /nfs/dbraw/zinc/16/82/29/167168229.db2.gz KTPQNPQODXDJBK-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C 26443156 167168984 /nfs/dbraw/zinc/16/89/84/167168984.db2.gz XRCVNQMJGZNZEJ-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C 26443149 167169066 /nfs/dbraw/zinc/16/90/66/167169066.db2.gz XRCVNQMJGZNZEJ-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCCCC[C@@H]1[NH3+] 53861410 167169235 /nfs/dbraw/zinc/16/92/35/167169235.db2.gz HAVZSDVDJAMCBJ-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)C[C@H]1CCCCC[C@H]1[NH3+] 53861416 167169243 /nfs/dbraw/zinc/16/92/43/167169243.db2.gz HAVZSDVDJAMCBJ-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)C[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 53861317 167169265 /nfs/dbraw/zinc/16/92/65/167169265.db2.gz NNLAHAAHQBACNP-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C 26443146 167169276 /nfs/dbraw/zinc/16/92/76/167169276.db2.gz XRCVNQMJGZNZEJ-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)C[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] 53861318 167169508 /nfs/dbraw/zinc/16/95/08/167169508.db2.gz NNLAHAAHQBACNP-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C 26443153 167169537 /nfs/dbraw/zinc/16/95/37/167169537.db2.gz XRCVNQMJGZNZEJ-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)C[C@@H]1CCCCC[C@H]1[NH3+] 53861414 167170982 /nfs/dbraw/zinc/17/09/82/167170982.db2.gz HAVZSDVDJAMCBJ-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)C[C@H]1CCCCC[C@@H]1[NH3+] 53861412 167171111 /nfs/dbraw/zinc/17/11/11/167171111.db2.gz HAVZSDVDJAMCBJ-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 53861316 167171303 /nfs/dbraw/zinc/17/13/03/167171303.db2.gz NNLAHAAHQBACNP-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)C[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] 53861319 167171571 /nfs/dbraw/zinc/17/15/71/167171571.db2.gz NNLAHAAHQBACNP-TUAOUCFPSA-N 2 0 198.354 2.092 10 0 AEAERP CC[NH+](CC)[C@@H]1CCCCC[C@H]1C[NH3+] 37157035 167172518 /nfs/dbraw/zinc/17/25/18/167172518.db2.gz AZVBZBFNDIFBQO-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)[C@H](CC[NH3+])c1ccco1 11762646 167172551 /nfs/dbraw/zinc/17/25/51/167172551.db2.gz HPHIUJVHRBJDOY-SNVBAGLBSA-N 2 0 196.294 2.011 10 0 AEAERP CC[NH+](CC)[C@H]1CCCCC[C@@H]1C[NH3+] 37157033 167172561 /nfs/dbraw/zinc/17/25/61/167172561.db2.gz AZVBZBFNDIFBQO-NEPJUHHUSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH+](CC)[C@H]1CCCCC[C@H]1C[NH3+] 37157037 167173627 /nfs/dbraw/zinc/17/36/27/167173627.db2.gz AZVBZBFNDIFBQO-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CC1CCC([NH3+])CC1)C(C)C 37482425 167175862 /nfs/dbraw/zinc/17/58/62/167175862.db2.gz SNLBGZHOLUEFNB-UHFFFAOYSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](CC1([NH3+])CCCCC1)C1CC1 37080134 167176340 /nfs/dbraw/zinc/17/63/40/167176340.db2.gz XKGLXJGUGIMEAY-UHFFFAOYSA-N 2 0 196.338 2.132 10 0 AEAERP CC[N@H+](CC1(C[NH3+])CCCC1)C(C)C 51215328 167177108 /nfs/dbraw/zinc/17/71/08/167177108.db2.gz LNVJMSYWOXLURZ-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](CC=C(C)C)C1CC[NH2+]CC1 37469526 167177910 /nfs/dbraw/zinc/17/79/10/167177910.db2.gz XCCZLBYPCDEPIW-UHFFFAOYSA-N 2 0 196.338 2.027 10 0 AEAERP CC[N@H+](CCCC[NH3+])C1CCCCC1 19262698 167179241 /nfs/dbraw/zinc/17/92/41/167179241.db2.gz GLWMMSXTCGYZQK-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[N@H+](CCC[NH3+])CCC(C)(C)C 49254345 167179552 /nfs/dbraw/zinc/17/95/52/167179552.db2.gz TVYNJUFITZKBRP-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CC[N@H+](CCC(N)=[NH2+])CCC(C)(C)C 42452813 167179916 /nfs/dbraw/zinc/17/99/16/167179916.db2.gz HGLHOOKRTCHCJI-UHFFFAOYSA-N 2 0 199.342 2.071 10 0 AEAERP CC[N@H+](CCCCC[NH3+])CC(C)C 49580658 167179991 /nfs/dbraw/zinc/17/99/91/167179991.db2.gz XLLMLPVJQSGOBS-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CC[N@H+](CCCCC[NH3+])C1CCCC1 49580680 167180209 /nfs/dbraw/zinc/18/02/09/167180209.db2.gz UBQCCJYHXPNOJE-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC[N@H+](CCCCC(N)=[NH2+])CC(C)C 49579707 167181522 /nfs/dbraw/zinc/18/15/22/167181522.db2.gz NAKOHGNYQMBQEY-UHFFFAOYSA-N 2 0 199.342 2.071 10 0 AEAERP CC[N@H+](CC[C@@H](C)[NH2+]C)C1CCCC1 43890607 167187726 /nfs/dbraw/zinc/18/77/26/167187726.db2.gz REAZHLPAZTVPSC-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](CC[C@H]1CCC[NH2+]1)CC(C)C 42172019 167188144 /nfs/dbraw/zinc/18/81/44/167188144.db2.gz PYBBKEJLPCSWES-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CC[C@@H]1CCC[NH2+]1)CC(C)C 42172017 167189444 /nfs/dbraw/zinc/18/94/44/167189444.db2.gz PYBBKEJLPCSWES-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](CC[C@H](C)[NH2+]C)C1CCCC1 43890608 167190344 /nfs/dbraw/zinc/19/03/44/167190344.db2.gz REAZHLPAZTVPSC-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@H+](C[C@@H](C)C[NH3+])C1CCCCC1 11822396 167190359 /nfs/dbraw/zinc/19/03/59/167190359.db2.gz KXSKMPNCAYXSQU-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](C[C@@](C)(CC)C[NH2+]C)C1CC1 51215106 167191315 /nfs/dbraw/zinc/19/13/15/167191315.db2.gz DUGLZZOHTUJINJ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C[C@@](C)(CC)C[NH3+])C(C)C 51215324 167191518 /nfs/dbraw/zinc/19/15/18/167191518.db2.gz VSOWDTZDESBGJG-NSHDSACASA-N 2 0 186.343 2.092 10 0 AEAERP CC[N@H+](C[C@H](C)C[NH3+])C1CCCCC1 11822398 167191598 /nfs/dbraw/zinc/19/15/98/167191598.db2.gz KXSKMPNCAYXSQU-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+](C[C@H]1CCC[C@H]([NH3+])C1)C(C)C 70503095 167192290 /nfs/dbraw/zinc/19/22/90/167192290.db2.gz CUHMUNXTPYZBJV-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](C[C@H]1CCCC[C@@H]1[NH3+])C(C)C 60744147 167192340 /nfs/dbraw/zinc/19/23/40/167192340.db2.gz GNHPDFYLMCWHEP-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](C[C@@H]1CCC[C@H]([NH3+])C1)C(C)C 70503094 167192629 /nfs/dbraw/zinc/19/26/29/167192629.db2.gz CUHMUNXTPYZBJV-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](C[C@@H]1CCCC[C@@H]1[NH3+])C(C)C 60744145 167193085 /nfs/dbraw/zinc/19/30/85/167193085.db2.gz GNHPDFYLMCWHEP-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](C[C@](C)(CC)C[NH2+]C)C1CC1 51215107 167193444 /nfs/dbraw/zinc/19/34/44/167193444.db2.gz DUGLZZOHTUJINJ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@H+](C[C@](C)(CC)C[NH3+])C(C)C 51215325 167194470 /nfs/dbraw/zinc/19/44/70/167194470.db2.gz VSOWDTZDESBGJG-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C(C)C)CC1 37208654 167201770 /nfs/dbraw/zinc/20/17/70/167201770.db2.gz AZFQPYMBGHUKKH-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 53657034 167204127 /nfs/dbraw/zinc/20/41/27/167204127.db2.gz LJOJXUBTFOCLHY-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+]1CCC([C@H](C)[NH2+]C(C)C)CC1 37208655 167204974 /nfs/dbraw/zinc/20/49/74/167204974.db2.gz AZFQPYMBGHUKKH-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CCC[C@H](C[NH2+]C(C)(C)C)C1 53657033 167206778 /nfs/dbraw/zinc/20/67/78/167206778.db2.gz LJOJXUBTFOCLHY-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C(C)C)C1 37208660 167210298 /nfs/dbraw/zinc/21/02/98/167210298.db2.gz OGTKUXDUHVQSAF-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@@H]1C 73655792 167216089 /nfs/dbraw/zinc/21/60/89/167216089.db2.gz RNONHBHBBYVJNF-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@H]1C 242688297 167216353 /nfs/dbraw/zinc/21/63/53/167216353.db2.gz VNBCGIIQCBXMNN-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@@H]1C 73655723 167217914 /nfs/dbraw/zinc/21/79/14/167217914.db2.gz VNBCGIIQCBXMNN-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@H]1C 242648968 167219865 /nfs/dbraw/zinc/21/98/65/167219865.db2.gz RNONHBHBBYVJNF-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 73653799 167220797 /nfs/dbraw/zinc/22/07/97/167220797.db2.gz BGJVCYIRZMACLR-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CC[C@H]([NH2+]CC(C)C)C[C@@H]1C 73655787 167221589 /nfs/dbraw/zinc/22/15/89/167221589.db2.gz RNONHBHBBYVJNF-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)[C@H](C)C1 73653794 167222665 /nfs/dbraw/zinc/22/26/65/167222665.db2.gz BGJVCYIRZMACLR-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)C[C@H]1C 242688298 167223408 /nfs/dbraw/zinc/22/34/08/167223408.db2.gz VNBCGIIQCBXMNN-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)C[C@@H]1C 73655721 167223637 /nfs/dbraw/zinc/22/36/37/167223637.db2.gz VNBCGIIQCBXMNN-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC[N@@H+]1CC[C@H]([NH2+]CC(C)C)C[C@H]1C 242648967 167223993 /nfs/dbraw/zinc/22/39/93/167223993.db2.gz RNONHBHBBYVJNF-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C1CC[NH+](C(C)(C)CC)CC1 37241723 167258045 /nfs/dbraw/zinc/25/80/45/167258045.db2.gz VGIFWPBUMZDJMY-UHFFFAOYSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+]C1CC[NH+]([C@H](C)C(C)C)CC1 37242350 167259097 /nfs/dbraw/zinc/25/90/97/167259097.db2.gz MTAOTVKBCFTCSO-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C1CC[NH+](CC(C)(C)C)CC1 40494670 167259849 /nfs/dbraw/zinc/25/98/49/167259849.db2.gz LTNSOSFLICKTBF-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C1CC[NH+]([C@@H](C)C(C)C)CC1 37242348 167260174 /nfs/dbraw/zinc/26/01/74/167260174.db2.gz MTAOTVKBCFTCSO-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+]C1CC[NH+](C2CCCC2)CC1 37241672 167260310 /nfs/dbraw/zinc/26/03/10/167260310.db2.gz SWCJJEGYJZIAGI-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+]CCC[NH2+]CC1CCCCC1 13735417 167261383 /nfs/dbraw/zinc/26/13/83/167261383.db2.gz CVOJJUBQNJGXOE-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP CC[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H]1C 51205645 167261409 /nfs/dbraw/zinc/26/14/09/167261409.db2.gz GXJKDWCXYANFCP-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CC1(C[NH+](C)C)CCCCC1 51214416 167261823 /nfs/dbraw/zinc/26/18/23/167261823.db2.gz UICJDUYDGTXRFT-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]CC(C)(C)C[NH+]1CCCCC1 51211085 167261915 /nfs/dbraw/zinc/26/19/15/167261915.db2.gz ZTYKRHNEKUCAEI-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]CC(C)(C)C[N@H+](CC)C1CC1 51215058 167262447 /nfs/dbraw/zinc/26/24/47/167262447.db2.gz WGBPLQNVYLGZHB-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CCC[NH+]1CCC(CC)CC1 42447299 167262548 /nfs/dbraw/zinc/26/25/48/167262548.db2.gz JDBBRYWGPSSNOG-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H]1C 51205643 167263675 /nfs/dbraw/zinc/26/36/75/167263675.db2.gz GXJKDWCXYANFCP-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]CC1(C[N@H+](C)CC)CCCC1 51214943 167263689 /nfs/dbraw/zinc/26/36/89/167263689.db2.gz LZPASWHYFCLYOB-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]C[C@@](C)(CC)C[N@H+](C)C1CC1 51215205 167272002 /nfs/dbraw/zinc/27/20/02/167272002.db2.gz KTWCMXFPOPXSNJ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+]C[C@@](C)(CC)C[NH+]1CCCC1 51208192 167272138 /nfs/dbraw/zinc/27/21/38/167272138.db2.gz BHMSYBPWQSAHSU-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]C[C@](C)(CC)C[NH+]1CCCC1 51208189 167273852 /nfs/dbraw/zinc/27/38/52/167273852.db2.gz BHMSYBPWQSAHSU-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH2+]C[C@](C)(CC)C[N@H+](C)C1CC1 51215204 167275853 /nfs/dbraw/zinc/27/58/53/167275853.db2.gz KTWCMXFPOPXSNJ-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H](C)CCC[N@H+](C)C(C)C 45598768 167279400 /nfs/dbraw/zinc/27/94/00/167279400.db2.gz XUCIEHFAACXALH-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@@H](C)CCC[NH+]1CCCCC1 45598784 167279661 /nfs/dbraw/zinc/27/96/61/167279661.db2.gz OWDXNDYSJXETCH-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+][C@@H](C)CCCC[NH+]1CCCC1 45598598 167279791 /nfs/dbraw/zinc/27/97/91/167279791.db2.gz SIWWINNCABAMKE-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH+]1CCCCCC1 43812249 167281384 /nfs/dbraw/zinc/28/13/84/167281384.db2.gz JRZACJBLDVYKBL-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+][C@@H](C)CC[N@H+](CC)C(C)C 43882975 167281735 /nfs/dbraw/zinc/28/17/35/167281735.db2.gz QMFRTNDRYDQXPL-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@@H](C)CC[N@H+](C)[C@@H](C)C1CC1 43895049 167282273 /nfs/dbraw/zinc/28/22/73/167282273.db2.gz VVHKGVYDAXJCKR-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H](C)CC[N@H+](C)C1CCCC1 43884096 167282413 /nfs/dbraw/zinc/28/24/13/167282413.db2.gz UEFJPQOEMFRXOS-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)CCC[NH+](CC)CC 19915226 167282526 /nfs/dbraw/zinc/28/25/26/167282526.db2.gz OXHJTOBCPZYPPA-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH2+][C@@H](CC)[C@H](C)[N@@H+]1CCC[C@@H]1C 43903060 167286858 /nfs/dbraw/zinc/28/68/58/167286858.db2.gz CIFLCKHXHZALAU-SRVKXCTJSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@@H](CC)[C@@H](C)[N@@H+]1CCC[C@@H]1C 43903052 167288491 /nfs/dbraw/zinc/28/84/91/167288491.db2.gz CIFLCKHXHZALAU-TUAOUCFPSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C 49694124 167289998 /nfs/dbraw/zinc/28/99/98/167289998.db2.gz YSDPMQJWEMUZHT-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H]1CCCCC[C@H]1C[NH+](C)C 53864661 167290035 /nfs/dbraw/zinc/29/00/35/167290035.db2.gz YJWQFSYTFWEIOL-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1C 43903000 167290271 /nfs/dbraw/zinc/29/02/71/167290271.db2.gz KJBLSFAVCIRYKH-QJPTWQEYSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+](C2CCC2)[C@H](C)C1 52210805 167290998 /nfs/dbraw/zinc/29/09/98/167290998.db2.gz LOOYVEQIEXAJBM-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1C[NH+](C)C 53864658 167291126 /nfs/dbraw/zinc/29/11/26/167291126.db2.gz YJWQFSYTFWEIOL-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCCC1 43807457 167291187 /nfs/dbraw/zinc/29/11/87/167291187.db2.gz VTYCFSZXMLJESQ-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]1C 43902992 167291314 /nfs/dbraw/zinc/29/13/14/167291314.db2.gz KJBLSFAVCIRYKH-TUAOUCFPSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCCC1 43807461 167291442 /nfs/dbraw/zinc/29/14/42/167291442.db2.gz VTYCFSZXMLJESQ-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 49709032 167291526 /nfs/dbraw/zinc/29/15/26/167291526.db2.gz SFYVFPUATLJETK-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)[C@H](C)C1 49694138 167292132 /nfs/dbraw/zinc/29/21/32/167292132.db2.gz VDSWHNVJDDLUAF-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H](C)CC[N@H+](C)[C@@H](C)CC 43887615 167295496 /nfs/dbraw/zinc/29/54/96/167295496.db2.gz QNFJVMUOHDXNMQ-MNOVXSKESA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@H](C)CC[N@H+](C)C1CCCC1 43884098 167295539 /nfs/dbraw/zinc/29/55/39/167295539.db2.gz UEFJPQOEMFRXOS-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](C)CCC[NH+]1CCCCC1 45598785 167296083 /nfs/dbraw/zinc/29/60/83/167296083.db2.gz OWDXNDYSJXETCH-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+][C@H](C)CC[N@H+](C)[C@@H](C)C1CC1 43895051 167296300 /nfs/dbraw/zinc/29/63/00/167296300.db2.gz VVHKGVYDAXJCKR-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H](C)CC[NH+]1CCCCCC1 43812250 167296371 /nfs/dbraw/zinc/29/63/71/167296371.db2.gz JRZACJBLDVYKBL-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+][C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1CC 43904736 167296551 /nfs/dbraw/zinc/29/65/51/167296551.db2.gz AYMQFIBHMKJTNW-WOPDTQHZSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H](C)CCC[NH+](CC)CC 19915228 167296668 /nfs/dbraw/zinc/29/66/68/167296668.db2.gz OXHJTOBCPZYPPA-LLVKDONJSA-N 2 0 186.343 2.106 10 0 AEAERP CC[NH2+][C@H](C)CC[N@H+](CC)C(C)C 43882977 167296895 /nfs/dbraw/zinc/29/68/95/167296895.db2.gz QMFRTNDRYDQXPL-LLVKDONJSA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@H](C)CCC[N@H+](C)C(C)C 45598769 167297221 /nfs/dbraw/zinc/29/72/21/167297221.db2.gz XUCIEHFAACXALH-LLVKDONJSA-N 2 0 186.343 2.105 10 0 AEAERP CC[NH2+][C@H](C)CCCC[NH+]1CCCC1 45598599 167297260 /nfs/dbraw/zinc/29/72/60/167297260.db2.gz SIWWINNCABAMKE-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[NH2+][C@H](CC)C[N@@H+]1CCC[C@@H]1CC 50179408 167297800 /nfs/dbraw/zinc/29/78/00/167297800.db2.gz XNRPNAACUJAQKQ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](CC)[C@H](C)[N@@H+]1CCC[C@@H]1C 43903064 167299210 /nfs/dbraw/zinc/29/92/10/167299210.db2.gz CIFLCKHXHZALAU-SDDRHHMPSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+]1CCC[C@@H]1C 43903056 167299668 /nfs/dbraw/zinc/29/96/68/167299668.db2.gz CIFLCKHXHZALAU-QJPTWQEYSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)CC)[C@@H](C)C1 49708545 167300232 /nfs/dbraw/zinc/30/02/32/167300232.db2.gz XLNYKVKLGMEUPT-SRVKXCTJSA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 49709033 167300335 /nfs/dbraw/zinc/30/03/35/167300335.db2.gz SFYVFPUATLJETK-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)[C@H](C)C1 49694139 167300678 /nfs/dbraw/zinc/30/06/78/167300678.db2.gz VDSWHNVJDDLUAF-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC[NH2+][C@H]1CC[N@H+](C2CCC2)[C@H](C)C1 52210808 167300724 /nfs/dbraw/zinc/30/07/24/167300724.db2.gz LOOYVEQIEXAJBM-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@H]1CCCCC[C@H]1C[NH+](C)C 53864663 167300908 /nfs/dbraw/zinc/30/09/08/167300908.db2.gz YJWQFSYTFWEIOL-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]1C 43902996 167300989 /nfs/dbraw/zinc/30/09/89/167300989.db2.gz KJBLSFAVCIRYKH-SRVKXCTJSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@H]1CCCCC[C@@H]1C[NH+](C)C 53864660 167301016 /nfs/dbraw/zinc/30/10/16/167301016.db2.gz YJWQFSYTFWEIOL-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH2+][C@H]1CCCC[C@H]1[NH+]1CCCC1 43807463 167301095 /nfs/dbraw/zinc/30/10/95/167301095.db2.gz VTYCFSZXMLJESQ-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCCC1 43807459 167301134 /nfs/dbraw/zinc/30/11/34/167301134.db2.gz VTYCFSZXMLJESQ-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C 49694125 167301163 /nfs/dbraw/zinc/30/11/63/167301163.db2.gz YSDPMQJWEMUZHT-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1C 43903004 167302420 /nfs/dbraw/zinc/30/24/20/167302420.db2.gz KJBLSFAVCIRYKH-SDDRHHMPSA-N 2 0 196.338 2.001 10 0 AEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C(C)C)C1 37208661 167208638 /nfs/dbraw/zinc/20/86/38/167208638.db2.gz OGTKUXDUHVQSAF-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C(C)C)[NH+]1CCC([NH2+]C)CC1 42590141 167448322 /nfs/dbraw/zinc/44/83/22/167448322.db2.gz YPUOEGVEXYOHSE-LBPRGKRZSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CCCCC[NH3+] 49580662 167454585 /nfs/dbraw/zinc/45/45/85/167454585.db2.gz NAMNICMCGQQDCH-LLVKDONJSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]C1 43591936 167472122 /nfs/dbraw/zinc/47/21/22/167472122.db2.gz DRYOZYKNQFSXQY-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C(C)C)[NH+]1CCC([NH2+]C)CC1 42590144 167594751 /nfs/dbraw/zinc/59/47/51/167594751.db2.gz YPUOEGVEXYOHSE-GFCCVEGCSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]C1 43591935 167615227 /nfs/dbraw/zinc/61/52/27/167615227.db2.gz DRYOZYKNQFSXQY-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]C1 43591937 167615859 /nfs/dbraw/zinc/61/58/59/167615859.db2.gz DRYOZYKNQFSXQY-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)[NH2+]CCCC1CC[NH2+]CC1 50952880 167616070 /nfs/dbraw/zinc/61/60/70/167616070.db2.gz OFIRHAPTFYWILM-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)[NH2+]CCC[C@H]1CCCC[NH2+]1 50952887 167616643 /nfs/dbraw/zinc/61/66/43/167616643.db2.gz CXEAQGWUKVPZTF-NWDGAFQWSA-N 2 0 198.354 2.297 10 0 AEAERP C[C@]1(C[NH2+]C2CCCC2)CCC[C@@H]1[NH3+] 134951256 343951995 /nfs/dbraw/zinc/95/19/95/343951995.db2.gz CUWZGWUGDSVFOP-NWDGAFQWSA-N 2 0 196.338 2.036 10 0 AEAERP C[NH+](C)CCCC[NH2+]CC1CCCC1 45697147 167832685 /nfs/dbraw/zinc/83/26/85/167832685.db2.gz OOESENJAMIPPLA-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP C[NH+](C)CCC[C@H]([NH3+])c1ccccc1 70953759 167834058 /nfs/dbraw/zinc/83/40/58/167834058.db2.gz DAGGLMYWDRSKQN-LBPRGKRZSA-N 2 0 192.306 2.028 10 0 AEAERP C[NH+](C)CCC[C@@H]([NH3+])c1ccccc1 70953763 167835040 /nfs/dbraw/zinc/83/50/40/167835040.db2.gz DAGGLMYWDRSKQN-GFCCVEGCSA-N 2 0 192.306 2.028 10 0 AEAERP C[NH2+]CCCC[NH2+]C1(C)CCCCC1 45047276 167992906 /nfs/dbraw/zinc/99/29/06/167992906.db2.gz WCFBZKMZIJSYQE-UHFFFAOYSA-N 2 0 198.354 2.298 10 0 AEAERP C[NH2+]CC[C@H](C)[NH+]1CCCCCCC1 52424946 168000224 /nfs/dbraw/zinc/00/02/24/168000224.db2.gz FNIMHIBNJNVGKT-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+]CC[C@H](C)[NH+]1CCC(C)(C)CC1 61823131 168000564 /nfs/dbraw/zinc/00/05/64/168000564.db2.gz FFQCAJZNPJAEQD-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C[C@@H](C)C[NH+]1CCCCCCC1 52424889 168003816 /nfs/dbraw/zinc/00/38/16/168003816.db2.gz ISUHIWLXEAXJNO-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP C[NH2+][C@@H](C)CCCC[N@H+](C)C(C)C 45598761 168029662 /nfs/dbraw/zinc/02/96/62/168029662.db2.gz OLDGRUIPNZEORC-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+][C@@H](C)CCC[NH+]1CCC(C)CC1 45598587 168029703 /nfs/dbraw/zinc/02/97/03/168029703.db2.gz XEEWQXJPSYKDQC-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@@H](C)CCC[NH+]1CCCCCC1 45598734 168030886 /nfs/dbraw/zinc/03/08/86/168030886.db2.gz KWZFLGWHHJHBFP-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+][C@@H](C)CCCC[NH+]1CCCCC1 45598776 168030963 /nfs/dbraw/zinc/03/09/63/168030963.db2.gz LJTGVRZCZGIRQF-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+][C@@H](C)CC[NH+]1CCC(C)(C)CC1 61819828 168032575 /nfs/dbraw/zinc/03/25/75/168032575.db2.gz FLUYHMTXLNYMKY-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@@H](C)CC[N@H+](C)C1CCCCC1 43815045 168032874 /nfs/dbraw/zinc/03/28/74/168032874.db2.gz GVXVTUCWBIBKJS-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@@H](C)c1ccc2[nH]c(C)nc2c1 82588320 168034862 /nfs/dbraw/zinc/03/48/62/168034862.db2.gz KXPDWQDFWYMQQY-ZETCQYMHSA-N 2 0 189.262 2.152 10 0 AEAERP C[NH2+][C@@H](C[N@@H+]1CCC[C@@H]1C)C(C)(C)C 43902428 168036194 /nfs/dbraw/zinc/03/61/94/168036194.db2.gz LTPGHUCWIAGKKC-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H]1CCCCC[C@@H]1[NH+]1CCCC1 43806982 168038861 /nfs/dbraw/zinc/03/88/61/168038861.db2.gz NSFGOKBBQRJIGY-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](CC(C)(C)C)[C@H](C)C1 49713179 168041142 /nfs/dbraw/zinc/04/11/42/168041142.db2.gz ZCKWYCQHBVXZAF-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](C2CCCC2)[C@H](C)C1 49709062 168041285 /nfs/dbraw/zinc/04/12/85/168041285.db2.gz UOMRBESRCQUYJK-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H]1CCCCC[C@H]1[NH+]1CCCC1 43806986 168041416 /nfs/dbraw/zinc/04/14/16/168041416.db2.gz NSFGOKBBQRJIGY-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](C2CCCC2)[C@@H](C)C1 49709065 168042056 /nfs/dbraw/zinc/04/20/56/168042056.db2.gz UOMRBESRCQUYJK-WDEREUQCSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 49707389 168043412 /nfs/dbraw/zinc/04/34/12/168043412.db2.gz RDOYDHRQLMWFDS-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)C(C)C)[C@@H](C)C1 49710323 168043911 /nfs/dbraw/zinc/04/39/11/168043911.db2.gz BYEHGLHOWURGGU-SDDRHHMPSA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+][C@H](C)CCC[N@@H+]1CCCC[C@@H]1C 45598643 168048028 /nfs/dbraw/zinc/04/80/28/168048028.db2.gz VFSBXZPRDXOKIC-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)CC[NH+]1[C@@H](C)CCC[C@@H]1C 43815585 168048220 /nfs/dbraw/zinc/04/82/20/168048220.db2.gz MQTNBBASISDRDG-WOPDTQHZSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@H](C)CC[N@@H+]1[C@@H](C)CCC[C@H]1C 43815583 168048384 /nfs/dbraw/zinc/04/83/84/168048384.db2.gz MQTNBBASISDRDG-UTUOFQBUSA-N 2 0 198.354 2.247 10 0 AEAERP C[NH2+][C@H](C)CCCC[N@H+](C)C(C)C 45598760 168048401 /nfs/dbraw/zinc/04/84/01/168048401.db2.gz OLDGRUIPNZEORC-LLVKDONJSA-N 2 0 186.343 2.105 10 0 AEAERP C[NH2+][C@H](C)CC[N@H+](C)C1CCCCC1 43815046 168048680 /nfs/dbraw/zinc/04/86/80/168048680.db2.gz GVXVTUCWBIBKJS-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)CCCC[NH+]1CCCCC1 45598777 168048741 /nfs/dbraw/zinc/04/87/41/168048741.db2.gz LJTGVRZCZGIRQF-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+][C@H](C)CCC[NH+]1CCC(C)CC1 45598586 168049191 /nfs/dbraw/zinc/04/91/91/168049191.db2.gz XEEWQXJPSYKDQC-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CC[NH+]1CCC(C)(C)CC1 61819829 168049396 /nfs/dbraw/zinc/04/93/96/168049396.db2.gz FLUYHMTXLNYMKY-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)CCC[NH+]1CCCCCC1 45598735 168049452 /nfs/dbraw/zinc/04/94/52/168049452.db2.gz KWZFLGWHHJHBFP-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP C[NH2+][C@H](C)CCC[N@@H+]1CCC[C@@H](C)C1 45598718 168049492 /nfs/dbraw/zinc/04/94/92/168049492.db2.gz VIEJMBSATSXPSL-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@H](C)[C@H](C)N1CCCCCCC1 43819174 168050697 /nfs/dbraw/zinc/05/06/97/168050697.db2.gz VSCJSLOHGGLBJH-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+][C@H](C)c1ccc2[nH]c(C)nc2c1 82588319 168052688 /nfs/dbraw/zinc/05/26/88/168052688.db2.gz KXPDWQDFWYMQQY-SSDOTTSWSA-N 2 0 189.262 2.152 10 0 AEAERP C[NH2+][C@H]1CCCCC[C@H]1[NH+]1CCCC1 43806987 168055249 /nfs/dbraw/zinc/05/52/49/168055249.db2.gz NSFGOKBBQRJIGY-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+][C@H]1CCCCC[C@@H]1[NH+]1CCCC1 43806984 168055357 /nfs/dbraw/zinc/05/53/57/168055357.db2.gz NSFGOKBBQRJIGY-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)C(C)C 60720803 168056007 /nfs/dbraw/zinc/05/60/07/168056007.db2.gz URLYCQAQDFYIDN-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 49707392 168056724 /nfs/dbraw/zinc/05/67/24/168056724.db2.gz RDOYDHRQLMWFDS-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)C(C)C 60720802 168056983 /nfs/dbraw/zinc/05/69/83/168056983.db2.gz URLYCQAQDFYIDN-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](C2CCCC2)[C@H](C)C1 49709066 168057027 /nfs/dbraw/zinc/05/70/27/168057027.db2.gz UOMRBESRCQUYJK-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](C2CCCC2)[C@@H](C)C1 49709068 168057676 /nfs/dbraw/zinc/05/76/76/168057676.db2.gz UOMRBESRCQUYJK-QWRGUYRKSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](CC(C)(C)C)[C@@H](C)C1 49713182 168057785 /nfs/dbraw/zinc/05/77/85/168057785.db2.gz ZCKWYCQHBVXZAF-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H]1CC[N@H+](CC(C)(C)C)[C@H](C)C1 49713181 168058333 /nfs/dbraw/zinc/05/83/33/168058333.db2.gz ZCKWYCQHBVXZAF-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@H]1CC[N@H+]([C@@H](C)C(C)C)[C@@H](C)C1 49710329 168059112 /nfs/dbraw/zinc/05/91/12/168059112.db2.gz BYEHGLHOWURGGU-SRVKXCTJSA-N 2 0 198.354 2.103 10 0 AEAERP C[NH2+][C@@H]1CC[N@H+](CC(C)(C)C)[C@@H](C)C1 49713180 168041731 /nfs/dbraw/zinc/04/17/31/168041731.db2.gz ZCKWYCQHBVXZAF-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H](CC[NH3+])[N@H+](C)[C@@H](C)C(C)(C)C 42739464 168336880 /nfs/dbraw/zinc/33/68/80/168336880.db2.gz NHTJPXSAQNFMGP-UWVGGRQHSA-N 2 0 186.343 2.090 10 0 AEAERP C[C@@H](CCC[NH3+])[NH+]1CCCCCCC1 52425005 168337016 /nfs/dbraw/zinc/33/70/16/168337016.db2.gz LQAINKSOTYVETP-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP C[C@@H](CC[NH3+])[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42492005 168337354 /nfs/dbraw/zinc/33/73/54/168337354.db2.gz CRRLZXIETKCDHF-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](CC[NH+](C)C)[NH2+]CC1CCCC1 49557051 168337382 /nfs/dbraw/zinc/33/73/82/168337382.db2.gz AHPZTASTCFDQCZ-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CCC[NH3+])[NH+]1CCC(C)(C)CC1 61823224 168337883 /nfs/dbraw/zinc/33/78/83/168337883.db2.gz MTQSQZMVYNGTGO-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)C1(C)CC1 49553808 168338028 /nfs/dbraw/zinc/33/80/28/168338028.db2.gz NIOBKFAHYBBBPD-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H](CC[NH3+])[N@H+](C)C1CCCCCC1 41042657 168338074 /nfs/dbraw/zinc/33/80/74/168338074.db2.gz ZXEBUEBKGCPAGQ-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H](CC[NH3+])[N@H+](C)CC1CCCCC1 42491916 168338120 /nfs/dbraw/zinc/33/81/20/168338120.db2.gz LZJYFVPHCOYDQN-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](CC[NH+](C)C)[NH2+][C@H](C)C1(C)CC1 49553810 168338361 /nfs/dbraw/zinc/33/83/61/168338361.db2.gz NIOBKFAHYBBBPD-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1CCCC[C@@H]1C 42602254 168342348 /nfs/dbraw/zinc/34/23/48/168342348.db2.gz BWZXDSQSUXJHBZ-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[NH3+])C[N@H+](C)C1CCCCCC1 36328145 168342656 /nfs/dbraw/zinc/34/26/56/168342656.db2.gz IEDNQDVDCMYDSX-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H](C[NH3+])C[N@H+](C)CC1CCCCC1 42317924 168343923 /nfs/dbraw/zinc/34/39/23/168343923.db2.gz WGWDIBAOQNPXHX-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42491958 168343973 /nfs/dbraw/zinc/34/39/73/168343973.db2.gz RXMKGTOMUACXBA-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([N@H+](C)CCCC[NH3+])C(C)(C)C 42739344 168355513 /nfs/dbraw/zinc/35/55/13/168355513.db2.gz ABLXKQBNCXCINS-SNVBAGLBSA-N 2 0 186.343 2.092 10 0 AEAERP C[C@@H]([N@H+](C)C1CC[NH2+]CC1)C(C)(C)C 42768028 168356332 /nfs/dbraw/zinc/35/63/32/168356332.db2.gz UQXLDEVIRBFRQB-SNVBAGLBSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]([N@H+](C)CCCC(N)=[NH2+])C(C)(C)C 42767657 168356598 /nfs/dbraw/zinc/35/65/98/168356598.db2.gz YTFZXXFXARLWLX-SECBINFHSA-N 2 0 199.342 2.069 10 0 AEAERP C[C@@H]([NH3+])CCCC[NH+]1CCCCCC1 45598725 168360693 /nfs/dbraw/zinc/36/06/93/168360693.db2.gz BDSNYGSAGCTZLF-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP C[C@@H]([NH3+])CCCC[N@@H+]1CCC[C@@H](C)C1 45598708 168360904 /nfs/dbraw/zinc/36/09/04/168360904.db2.gz OHDMHRRZHQYLFL-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+]C1CCCCCC1 40397498 168361501 /nfs/dbraw/zinc/36/15/01/168361501.db2.gz XNTOWDPJMWPNKL-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP C[C@@H]([NH3+])CC[N@H+](C)CC1CCCCC1 42492745 168361539 /nfs/dbraw/zinc/36/15/39/168361539.db2.gz YDOHJSUJEAIVLW-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]([NH3+])CCC[N@H+](C)C1CCCCC1 45598839 168362497 /nfs/dbraw/zinc/36/24/97/168362497.db2.gz XRSKOLYCWUIWPE-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+]C1(C)CCCCC1 45047274 168362584 /nfs/dbraw/zinc/36/25/84/168362584.db2.gz ADVGSNNUQMEWJW-SNVBAGLBSA-N 2 0 184.327 2.036 10 0 AEAERP C[C@@H]([NH3+])CC[N@H+](C)C1CCCCCC1 36328412 168362911 /nfs/dbraw/zinc/36/29/11/168362911.db2.gz IOECSHPKILMYKC-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]([NH3+])CCC[NH+]1CCC(C)(C)CC1 61819493 168363206 /nfs/dbraw/zinc/36/32/06/168363206.db2.gz YDOZBRYACZAGFE-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]([NH3+])CCC[NH+]1C[C@H](C)C[C@@H](C)C1 45598521 168363529 /nfs/dbraw/zinc/36/35/29/168363529.db2.gz QRPQMBFYQVFBDS-IJLUTSLNSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42492786 168363621 /nfs/dbraw/zinc/36/36/21/168363621.db2.gz TXQXPRNYPCSYBT-IJLUTSLNSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCC2(CC1)CC2 335016074 168366126 /nfs/dbraw/zinc/36/61/26/168366126.db2.gz AGWIMXYQHKEULU-NXEZZACHSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCCCCC1 306815848 168366661 /nfs/dbraw/zinc/36/66/61/168366661.db2.gz BCJSPTSGWCIWLA-NXEZZACHSA-N 2 0 184.327 2.035 10 0 AEAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)C1(C)CC1 51692804 168378199 /nfs/dbraw/zinc/37/81/99/168378199.db2.gz ABWJNZGFBSRUAA-KPPDAEKUSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]([NH2+]CCCC[NH+](C)C)C1(C)CC1 45663853 168380808 /nfs/dbraw/zinc/38/08/08/168380808.db2.gz VNJSMABLRXUHLN-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]1CC[N@@H+](C2CCCC2)CCC[NH2+]1 49664882 168432677 /nfs/dbraw/zinc/43/26/77/168432677.db2.gz CFPUQZKZDLEJGT-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]([NH3+])CCCC[NH+]1CCCCCC1 45598724 168547143 /nfs/dbraw/zinc/54/71/43/168547143.db2.gz BDSNYGSAGCTZLF-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP [NH3+]C1(CC[NH+]2CCCCC2)CCCC1 82385557 169168899 /nfs/dbraw/zinc/16/88/99/169168899.db2.gz YSWHMYIBBPYQDE-UHFFFAOYSA-N 2 0 196.338 2.134 10 0 AEAERP [NH3+]C1CCC([NH2+]CC2CCCC2)CC1 51694489 169172673 /nfs/dbraw/zinc/17/26/73/169172673.db2.gz XZBFHNBIRJYSKV-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+]C1CCC(C[NH2+]C2CCCC2)CC1 40409008 169172851 /nfs/dbraw/zinc/17/28/51/169172851.db2.gz ZKSHDHSBCNZIPB-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+]CCCCCCC[NH2+]C1CCC1 52212309 169180205 /nfs/dbraw/zinc/18/02/05/169180205.db2.gz RHEJLOQFIVLFTQ-UHFFFAOYSA-N 2 0 184.327 2.038 10 0 AEAERP [NH3+]CCCCC[NH+]1CCCCCCC1 49580636 169181027 /nfs/dbraw/zinc/18/10/27/169181027.db2.gz ZBUQQTQXLHOFIZ-UHFFFAOYSA-N 2 0 198.354 2.382 10 0 AEAERP [NH3+]CCC[NH2+]C1CCCCCCC1 37713099 169183111 /nfs/dbraw/zinc/18/31/11/169183111.db2.gz LNOFOYGIOWCQTN-UHFFFAOYSA-N 2 0 184.327 2.038 10 0 AEAERP [NH3+]CCC[NH2+]CCCC1CCCCC1 74339307 169183734 /nfs/dbraw/zinc/18/37/34/169183734.db2.gz OGLWCMBZPGSCBN-UHFFFAOYSA-N 2 0 198.354 2.285 10 0 AEAERP [NH3+]Cc1cccc(Nc2cc[nH+]cc2)c1 70162365 169224409 /nfs/dbraw/zinc/22/44/09/169224409.db2.gz RYKFTFJZZKDRGG-UHFFFAOYSA-N 2 0 199.257 2.284 10 0 AEAERP [NH3+][C@@H]1CCCCCC[C@@H]1[NH+]1CCCC1 23068497 169250344 /nfs/dbraw/zinc/25/03/44/169250344.db2.gz OCANPHPGKRMBJM-NEPJUHHUSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+][C@@H]1CCCCCC[C@H]1[NH+]1CCCC1 23068501 169251169 /nfs/dbraw/zinc/25/11/69/169251169.db2.gz OCANPHPGKRMBJM-VXGBXAGGSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+][C@@H]1CCC[C@H]([NH+]2CCCCCC2)C1 71507424 169253279 /nfs/dbraw/zinc/25/32/79/169253279.db2.gz SOJVRQXDFCDIRJ-NEPJUHHUSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+][C@@H]1CCC[C@@H]([NH+]2CCCCCC2)C1 71507423 169253390 /nfs/dbraw/zinc/25/33/90/169253390.db2.gz SOJVRQXDFCDIRJ-VXGBXAGGSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+][C@H]1CCCCCC[C@H]1[NH+]1CCCC1 23068502 169272622 /nfs/dbraw/zinc/27/26/22/169272622.db2.gz OCANPHPGKRMBJM-NWDGAFQWSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+][C@H]1CCCCCC[C@@H]1[NH+]1CCCC1 23068499 169272700 /nfs/dbraw/zinc/27/27/00/169272700.db2.gz OCANPHPGKRMBJM-RYUDHWBXSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+][C@H]1CCC[C@@H]([NH+]2CCCCCC2)C1 71507421 169273332 /nfs/dbraw/zinc/27/33/32/169273332.db2.gz SOJVRQXDFCDIRJ-NWDGAFQWSA-N 2 0 196.338 2.132 10 0 AEAERP [NH3+][C@H]1CCC[C@H]([NH+]2CCCCCC2)C1 71507422 169273578 /nfs/dbraw/zinc/27/35/78/169273578.db2.gz SOJVRQXDFCDIRJ-RYUDHWBXSA-N 2 0 196.338 2.132 10 0 AEAERP CCC[NH+](C)C/C=C\C[N@@H+](C)CCC 144688613 344028428 /nfs/dbraw/zinc/02/84/28/344028428.db2.gz HTXDZFFYKUMGBA-FPLPWBNLSA-N 2 0 198.354 2.226 10 0 AEAERP CC[NH+](CC)[C@@H](CC[NH3+])c1ccco1 11762642 171023653 /nfs/dbraw/zinc/02/36/53/171023653.db2.gz HPHIUJVHRBJDOY-JTQLQIEISA-N 2 0 196.294 2.011 10 0 AEAERP CC[NH+](CC)[C@@H]1CCCCC[C@@H]1C[NH3+] 37157031 171027557 /nfs/dbraw/zinc/02/75/57/171027557.db2.gz AZVBZBFNDIFBQO-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]1CC[N@@H+](C2CCC2)CCC[NH2+]1 52213784 171097585 /nfs/dbraw/zinc/09/75/85/171097585.db2.gz IGQPIQQJUZDQII-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[NH2+][C@@H](C)CC[N@H+](CC)C1CC1 43822375 171151437 /nfs/dbraw/zinc/15/14/37/171151437.db2.gz AASBRLYHDRWAPW-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@@H](C)CC[NH+]1CCCCC1 43814571 171151505 /nfs/dbraw/zinc/15/15/05/171151505.db2.gz QVKFJZKLHWIFJX-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[NH2+][C@@H](C)CC[N@H+](C)CCC 43886458 171151653 /nfs/dbraw/zinc/15/16/53/171151653.db2.gz OEOSUTOIRGNZEL-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CCC[NH2+][C@@H](C)CC[N@H+](C)C(C)C 43813832 171151711 /nfs/dbraw/zinc/15/17/11/171151711.db2.gz ZGDNEQOXHFVGGH-NSHDSACASA-N 2 0 186.343 2.105 10 0 AEAERP CCC[NH2+][C@@H](C)CC[N@@H+]1CCC[C@@H]1C 43903914 171152002 /nfs/dbraw/zinc/15/20/02/171152002.db2.gz KYGAJJTYHMBRBI-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@@H](C)CCC[NH+]1CCCC1 45598606 171153255 /nfs/dbraw/zinc/15/32/55/171153255.db2.gz GUGGMKKDGAHORG-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[NH2+][C@@H](C)CCCC[NH+](C)C 45598920 171153741 /nfs/dbraw/zinc/15/37/41/171153741.db2.gz QIGZKTVLFQLYEN-NSHDSACASA-N 2 0 186.343 2.106 10 0 AEAERP CC[C@@H]1CC[N@H+](CCC(C)C)CC[NH2+]1 49660899 171153919 /nfs/dbraw/zinc/15/39/19/171153919.db2.gz GHFJOMGUNIXIEI-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)CC1(C[NH2+]C)CCCC1 51208524 171159180 /nfs/dbraw/zinc/15/91/80/171159180.db2.gz GYXLABWEZQKJKM-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[NH+](CC)CC(C)(C)C[NH2+]C1CC1 51208575 171159205 /nfs/dbraw/zinc/15/92/05/171159205.db2.gz LLYSVSLHWDJUSW-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[NH+](CC)CC(CC)(CC)C[NH3+] 51208542 171159253 /nfs/dbraw/zinc/15/92/53/171159253.db2.gz KUZDCBYGHARRFF-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C(C)(C)C 52205417 171161435 /nfs/dbraw/zinc/16/14/35/171161435.db2.gz REWBNLCUIDTKAQ-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C(C)(C)C 52205416 171161715 /nfs/dbraw/zinc/16/17/15/171161715.db2.gz REWBNLCUIDTKAQ-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1CCC1 52209548 171161983 /nfs/dbraw/zinc/16/19/83/171161983.db2.gz UDUTWTAMVOFDMM-LBPRGKRZSA-N 2 0 196.338 2.003 10 0 AEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1CCC1 52209546 171162061 /nfs/dbraw/zinc/16/20/61/171162061.db2.gz UDUTWTAMVOFDMM-GFCCVEGCSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[N@@H+]1CCCCC[C@@H]1C 218665125 344414836 /nfs/dbraw/zinc/41/48/36/344414836.db2.gz VQAQFOQVMGMQLR-SDDRHHMPSA-N 2 0 198.354 2.377 10 0 AEAERP CCC(C)(C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 221808966 344446256 /nfs/dbraw/zinc/44/62/56/344446256.db2.gz IJZCRDYVXOAVIT-DCAQKATOSA-N 2 0 198.354 2.233 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+](C(C)C)[C@@H](C)[C@@H]1C 221779169 344446269 /nfs/dbraw/zinc/44/62/69/344446269.db2.gz XSEQBNWKPIVOSD-SDDRHHMPSA-N 2 0 198.354 2.103 10 0 AEAERP C[C@H]1C[C@H]([N@@H+]2CCCC2(C)C)CC[NH2+]1 229547108 344602071 /nfs/dbraw/zinc/60/20/71/344602071.db2.gz WZDOVQGCQWMPFR-WDEREUQCSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]1C[C@@H]([N@@H+]2CCCC2(C)C)CC[NH2+]1 229547124 344602139 /nfs/dbraw/zinc/60/21/39/344602139.db2.gz WZDOVQGCQWMPFR-QWRGUYRKSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@@H]1C[C@@H]([N@@H+]2CCCC2(C)C)CC[NH2+]1 229547117 344602157 /nfs/dbraw/zinc/60/21/57/344602157.db2.gz WZDOVQGCQWMPFR-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP CCC1([N@@H+]2CCCN[C@@H](C)C2)CCC1 229562512 344604450 /nfs/dbraw/zinc/60/44/50/344604450.db2.gz UWABGZCLKSGDPD-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP CC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC1 233029729 344699413 /nfs/dbraw/zinc/69/94/13/344699413.db2.gz SQCXLQWDBTZIEV-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CC[N@@H+]1C[C@@H](C(C)(C)C)[NH2+]CC[C@H]1C 250240175 344831084 /nfs/dbraw/zinc/83/10/84/344831084.db2.gz HFIMOQAUYWGOMB-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[N@H+](C)[C@H]1CCCCC[C@H]1C[NH3+] 250480897 344834577 /nfs/dbraw/zinc/83/45/77/344834577.db2.gz CECBRUSBUUFCJI-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+](C)[C@@H]1CCCCC[C@H]1C[NH3+] 250480895 344834620 /nfs/dbraw/zinc/83/46/20/344834620.db2.gz CECBRUSBUUFCJI-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([N@H+](C)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)C 251090837 344846676 /nfs/dbraw/zinc/84/66/76/344846676.db2.gz ZCQMHSOUMBZLKQ-DCAQKATOSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@H]([N@H+](C)[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C 251090836 344846730 /nfs/dbraw/zinc/84/67/30/344846730.db2.gz ZCQMHSOUMBZLKQ-AXFHLTTASA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C)CC1 251730702 344869277 /nfs/dbraw/zinc/86/92/77/344869277.db2.gz QLSSHKPYDKOSJB-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([NH3+])C(C)(C)C[N@@H+]1CCCC[C@H]1C 252197289 344891249 /nfs/dbraw/zinc/89/12/49/344891249.db2.gz SORQVWUEUZFDKL-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+][C@@H]1CC[N@@H+](C2(C)CC2)[C@H](C)C1 252934424 344919967 /nfs/dbraw/zinc/91/99/67/344919967.db2.gz DQAHBZUJOBVNIN-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP CCC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 300014329 344962720 /nfs/dbraw/zinc/96/27/20/344962720.db2.gz AHVRVRQKRNUEOW-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1C[C@H]([N@H+](C)C(C)(C)C)CC[NH2+]1 306328277 345205412 /nfs/dbraw/zinc/20/54/12/345205412.db2.gz LGRNHFOLMHEORR-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CCCC1([N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 306562122 345438196 /nfs/dbraw/zinc/43/81/96/345438196.db2.gz NTCVCDIVFYORSL-QWRGUYRKSA-N 2 0 196.338 2.131 10 0 AEAERP C[C@H](N)C[N@H+](C)[C@@H]1CCC[C@@H](C)CC1 306564884 345441221 /nfs/dbraw/zinc/44/12/21/345441221.db2.gz QQPVFAZHKPSSTG-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCCN1[C@H](C)[C@H]1CCC[NH2+]1 306580595 345457864 /nfs/dbraw/zinc/45/78/64/345457864.db2.gz OOROKWNSKPYZFX-IJLUTSLNSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCCCC1 629405893 347342863 /nfs/dbraw/zinc/34/28/63/347342863.db2.gz XABAAGDGFATAJE-NWDGAFQWSA-N 2 0 196.338 2.049 10 0 AEAERP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)C(C)C 629523626 347344965 /nfs/dbraw/zinc/34/49/65/347344965.db2.gz IZHCBRTVLPRCRO-SDDRHHMPSA-N 2 0 198.354 2.151 10 0 AEAERP CC[C@]1(C[NH+]2CCCC2)CCCC[NH2+]1 258325820 351861330 /nfs/dbraw/zinc/86/13/30/351861330.db2.gz WMUGWPZOPZKBRV-GFCCVEGCSA-N 2 0 196.338 2.005 10 0 AEAERP CC(C)=CC[NH2+]C1CCC(C[NH3+])CC1 643484473 352962900 /nfs/dbraw/zinc/96/29/00/352962900.db2.gz ABWQJKSIEMDECP-UHFFFAOYSA-N 2 0 196.338 2.060 10 0 AEAERP C[C@H]([NH2+]CCC[NH3+])[C@@H]1CCCC[C@H]1C 643496792 352970028 /nfs/dbraw/zinc/97/00/28/352970028.db2.gz KFZWLCGLNRUGMA-GRYCIOLGSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@H](C)[C@H](C)[NH2+]CCC[NH3+] 643496829 352970959 /nfs/dbraw/zinc/97/09/59/352970959.db2.gz YDVLOIXWJCUKFF-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[NH3+] 643496830 352971303 /nfs/dbraw/zinc/97/13/03/352971303.db2.gz YDVLOIXWJCUKFF-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP C[NH2+]CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643498566 352971949 /nfs/dbraw/zinc/97/19/49/352971949.db2.gz CCIOXVHWJGTXFF-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643498564 352971957 /nfs/dbraw/zinc/97/19/57/352971957.db2.gz CCIOXVHWJGTXFF-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 643540079 353001701 /nfs/dbraw/zinc/00/17/01/353001701.db2.gz GXOBRMQCOIGJGA-BBBLOLIVSA-N 2 0 186.343 2.136 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@H]1C(C)(C)C 643540733 353003068 /nfs/dbraw/zinc/00/30/68/353003068.db2.gz HCRKBQYKCABLIQ-AXFHLTTASA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)(C)C 308185745 409692474 /nfs/dbraw/zinc/69/24/74/409692474.db2.gz FUKUJRYZHIEMGJ-ZJUUUORDSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@@H]([NH2+]CC1([NH3+])CCCC1)C(C)(C)C 665248895 409861241 /nfs/dbraw/zinc/86/12/41/409861241.db2.gz FIQSMOGBJAUNMV-SNVBAGLBSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]1CCCC[N@@H+]1CCCCC[NH3+] 4226774 342988788 /nfs/dbraw/zinc/98/87/88/342988788.db2.gz VHPBSEYFUPNZIR-LBPRGKRZSA-N 2 0 198.354 2.380 10 0 AEAERP CCC[NH+](CCC)CCCCC[NH3+] 4226767 342989045 /nfs/dbraw/zinc/98/90/45/342989045.db2.gz DUEYZRNFSPONAG-UHFFFAOYSA-N 2 0 186.343 2.237 10 0 AEAERP CC[C@@H]1CCCC[N@@H+]1CCCCC[NH3+] 4226773 342989113 /nfs/dbraw/zinc/98/91/13/342989113.db2.gz VHPBSEYFUPNZIR-GFCCVEGCSA-N 2 0 198.354 2.380 10 0 AEAERP CC(C)[NH2+][C@@H]1CCCC[C@H]1[NH2+]C(C)C 19363867 343053541 /nfs/dbraw/zinc/05/35/41/343053541.db2.gz VGPJQHMGHSBWTG-VXGBXAGGSA-N 2 0 198.354 2.294 10 0 AEAERP C[NH+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] 23071353 343083575 /nfs/dbraw/zinc/08/35/75/343083575.db2.gz ATXGPTDCGGTJQZ-GARJFASQSA-N 2 0 198.354 2.090 10 0 AEAERP C[NH2+]C1CC[NH+](C2CCCCC2)CC1 31829576 343094335 /nfs/dbraw/zinc/09/43/35/343094335.db2.gz ZOCRGLWZDUENHF-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH+](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1[NH3+] 36879209 343152651 /nfs/dbraw/zinc/15/26/51/343152651.db2.gz ATXGPTDCGGTJQZ-GMTAPVOTSA-N 2 0 198.354 2.090 10 0 AEAERP C[NH+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1[NH3+] 36879211 343152737 /nfs/dbraw/zinc/15/27/37/343152737.db2.gz ATXGPTDCGGTJQZ-HBNTYKKESA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] 37157444 343161400 /nfs/dbraw/zinc/16/14/00/343161400.db2.gz YECHGDXLVNFDOU-GRYCIOLGSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@H+](C)[C@H]1CCCCC[C@@H]1C[NH3+] 37157450 343161567 /nfs/dbraw/zinc/16/15/67/343161567.db2.gz CECBRUSBUUFCJI-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 37157440 343161701 /nfs/dbraw/zinc/16/17/01/343161701.db2.gz YECHGDXLVNFDOU-IJLUTSLNSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1CCC[N@@H+]1CC1([NH3+])CCCCC1 37911193 343180075 /nfs/dbraw/zinc/18/00/75/343180075.db2.gz UCDVNUBIAPRTLS-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 37911095 343180494 /nfs/dbraw/zinc/18/04/94/343180494.db2.gz GHQVDQKNCAECTJ-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]1 42171738 343237417 /nfs/dbraw/zinc/23/74/17/343237417.db2.gz ZBOCIOKZFPCYAP-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]([N@H+](C)C1CC[NH2+]CC1)C(C)(C)C 42768025 343248902 /nfs/dbraw/zinc/24/89/02/343248902.db2.gz UQXLDEVIRBFRQB-JTQLQIEISA-N 2 0 198.354 2.105 10 0 AEAERP C[NH+](C)CCCC[NH2+]C1CCCCC1 45662800 343272126 /nfs/dbraw/zinc/27/21/26/343272126.db2.gz FVNZXLLHCFYFNO-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)C1(C)CC1 51692802 343291615 /nfs/dbraw/zinc/29/16/15/343291615.db2.gz ABWJNZGFBSRUAA-WHXUTIOJSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]1CC[N@H+](CC(C)(C)C[NH3+])[C@H](C)C1 51748479 343292547 /nfs/dbraw/zinc/29/25/47/343292547.db2.gz MXKCWCGOIMOZLA-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[NH2+]CC1CC[NH+](C(C)C)CC1 53659714 343314662 /nfs/dbraw/zinc/31/46/62/343314662.db2.gz BBCLRKSZIHSOLK-UHFFFAOYSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[N@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 53862318 343316578 /nfs/dbraw/zinc/31/65/78/343316578.db2.gz SUQLJLKTEFEARL-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@H+](C)C[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 53862322 343317176 /nfs/dbraw/zinc/31/71/76/343317176.db2.gz SUQLJLKTEFEARL-GRYCIOLGSA-N 2 0 198.354 2.090 10 0 AEAERP CCC[NH2+]C1C[C@@H]2CCC[C@H](C1)[N@@H+]2C 54601577 343326966 /nfs/dbraw/zinc/32/69/66/343326966.db2.gz IYDOQXJPVAKHRF-YOGCLGLASA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)C1CCC([NH3+])CC1 55144375 343334013 /nfs/dbraw/zinc/33/40/13/343334013.db2.gz SZOOILBOAIWFGQ-VOMCLLRMSA-N 2 0 198.354 2.233 10 0 AEAERP C[N@H+](C1CCCC1)C1CCC([NH3+])CC1 55144309 343334142 /nfs/dbraw/zinc/33/41/42/343334142.db2.gz KTIFVLNKVMXPBI-UHFFFAOYSA-N 2 0 196.338 2.131 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1C1CCC([NH3+])CC1 55144426 343334186 /nfs/dbraw/zinc/33/41/86/343334186.db2.gz WPYDVRLHQWKMSI-MOENNCHZSA-N 2 0 196.338 2.131 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)C1CCC([NH3+])CC1 55144376 343334316 /nfs/dbraw/zinc/33/43/16/343334316.db2.gz SZOOILBOAIWFGQ-UNXYVOJBSA-N 2 0 198.354 2.233 10 0 AEAERP CC1(C)CCC[N@@H+]1C1CCC([NH3+])CC1 63067309 343400144 /nfs/dbraw/zinc/40/01/44/343400144.db2.gz YMEFWQJBKBDHSA-UHFFFAOYSA-N 2 0 196.338 2.131 10 0 AEAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 69626910 343427343 /nfs/dbraw/zinc/42/73/43/343427343.db2.gz DDCXFRWUTBWJBI-VXGBXAGGSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 69626907 343427449 /nfs/dbraw/zinc/42/74/49/343427449.db2.gz DDCXFRWUTBWJBI-NWDGAFQWSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 69626912 343427665 /nfs/dbraw/zinc/42/76/65/343427665.db2.gz DDCXFRWUTBWJBI-RYUDHWBXSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69626916 343427738 /nfs/dbraw/zinc/42/77/38/343427738.db2.gz DDCXFRWUTBWJBI-NEPJUHHUSA-N 2 0 196.338 2.012 10 0 AEAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(C)(C)C)C1 69724588 343437579 /nfs/dbraw/zinc/43/75/79/343437579.db2.gz JERUHDMPSYTJJX-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(C)(C)C)C1 69724593 343437590 /nfs/dbraw/zinc/43/75/90/343437590.db2.gz JERUHDMPSYTJJX-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(C)(C)C)C1 69724590 343437836 /nfs/dbraw/zinc/43/78/36/343437836.db2.gz JERUHDMPSYTJJX-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CC(C)(C)C 69727692 343438007 /nfs/dbraw/zinc/43/80/07/343438007.db2.gz CRVBNUUMFHFCBZ-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)=CC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69729032 343438313 /nfs/dbraw/zinc/43/83/13/343438313.db2.gz QVGYBWMKKQEPTP-RYUDHWBXSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C 69727961 343438350 /nfs/dbraw/zinc/43/83/50/343438350.db2.gz QCSPIDJKTVSRHY-GRYCIOLGSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[C@H](C)[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C 69727966 343438412 /nfs/dbraw/zinc/43/84/12/343438412.db2.gz QCSPIDJKTVSRHY-WOPDTQHZSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)=CC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C 69729030 343438482 /nfs/dbraw/zinc/43/84/82/343438482.db2.gz QVGYBWMKKQEPTP-NEPJUHHUSA-N 2 0 196.338 2.012 10 0 AEAERP CC(C)=CC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 69729027 343438514 /nfs/dbraw/zinc/43/85/14/343438514.db2.gz QVGYBWMKKQEPTP-NWDGAFQWSA-N 2 0 196.338 2.012 10 0 AEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC(C)(C)C 69727706 343438560 /nfs/dbraw/zinc/43/85/60/343438560.db2.gz CRVBNUUMFHFCBZ-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC(C)(C)C 69727699 343438592 /nfs/dbraw/zinc/43/85/92/343438592.db2.gz CRVBNUUMFHFCBZ-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CCCCC[N@@H+]1C1CC[NH2+]CC1 69944997 343459044 /nfs/dbraw/zinc/45/90/44/343459044.db2.gz LBHODMXKYHIUNL-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H]1CCCCC[N@@H+]1C1CC[NH2+]CC1 69944995 343459599 /nfs/dbraw/zinc/45/95/99/343459599.db2.gz LBHODMXKYHIUNL-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70046264 343469204 /nfs/dbraw/zinc/46/92/04/343469204.db2.gz FKDGMXWNCALNRX-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](C)C[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70655131 343520928 /nfs/dbraw/zinc/52/09/28/343520928.db2.gz KVCQBYREJTTYDD-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](C)C[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70655132 343521050 /nfs/dbraw/zinc/52/10/50/343521050.db2.gz KVCQBYREJTTYDD-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84218745 343631982 /nfs/dbraw/zinc/63/19/82/343631982.db2.gz QAVJEBNQBWKGBG-TUAOUCFPSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84218737 343632309 /nfs/dbraw/zinc/63/23/09/343632309.db2.gz QAVJEBNQBWKGBG-QJPTWQEYSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@]1(C[NH2+]C2CCCC2)CCCC[NH2+]1 127358069 343810191 /nfs/dbraw/zinc/81/01/91/343810191.db2.gz NOEZXYGTFVPDNA-GFCCVEGCSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@@]1(C[NH2+]C2CCCC2)CCCC[NH2+]1 127358298 343810570 /nfs/dbraw/zinc/81/05/70/343810570.db2.gz NOEZXYGTFVPDNA-LBPRGKRZSA-N 2 0 196.338 2.051 10 0 AEAERP C[NH+](C)[C@@H]1CC[C@H]([NH2+]C2CCCC2)C1 128218214 343826336 /nfs/dbraw/zinc/82/63/36/343826336.db2.gz SXPVIGJHKSMIGW-NWDGAFQWSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH+](C)[C@@H]1CC[C@@H]([NH2+]C2CCCC2)C1 128218625 343826424 /nfs/dbraw/zinc/82/64/24/343826424.db2.gz SXPVIGJHKSMIGW-VXGBXAGGSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CCCC2)C1 128218857 343826512 /nfs/dbraw/zinc/82/65/12/343826512.db2.gz SXPVIGJHKSMIGW-NEPJUHHUSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCCC2)C1 128218422 343826575 /nfs/dbraw/zinc/82/65/75/343826575.db2.gz SXPVIGJHKSMIGW-RYUDHWBXSA-N 2 0 196.338 2.001 10 0 AEAERP C1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 129805543 343856486 /nfs/dbraw/zinc/85/64/86/343856486.db2.gz LPSCCNJTUNAMBR-LBPRGKRZSA-N 2 0 196.338 2.051 10 0 AEAERP C1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 129805336 343856579 /nfs/dbraw/zinc/85/65/79/343856579.db2.gz LPSCCNJTUNAMBR-GFCCVEGCSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@H]1CCC[C@@H](C)[N@@H+]1CC(C)(C)C[NH3+] 134201885 343936426 /nfs/dbraw/zinc/93/64/26/343936426.db2.gz ZZDDKJPLSYASHE-PHIMTYICSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H]1CCCCC[N@@H+]1C1CC([NH3+])C1 134379447 343941973 /nfs/dbraw/zinc/94/19/73/343941973.db2.gz ZVMHSUXPFACJAD-CXQJBGSLSA-N 2 0 196.338 2.131 10 0 AEAERP C[C@]1(C[NH2+]C2CCCC2)CCC[C@H]1[NH3+] 134951293 343951923 /nfs/dbraw/zinc/95/19/23/343951923.db2.gz CUWZGWUGDSVFOP-VXGBXAGGSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@]1(C[NH2+]C2CCCC2)CCC[C@@H]1[NH3+] 134951272 343952005 /nfs/dbraw/zinc/95/20/05/343952005.db2.gz CUWZGWUGDSVFOP-RYUDHWBXSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@]1(C[NH2+]C2CCCC2)CCC[C@H]1[NH3+] 134951313 343952101 /nfs/dbraw/zinc/95/21/01/343952101.db2.gz CUWZGWUGDSVFOP-NEPJUHHUSA-N 2 0 196.338 2.036 10 0 AEAERP CCC[NH+](C)CCC[N@@H+](C)CCC 138230371 343988500 /nfs/dbraw/zinc/98/85/00/343988500.db2.gz ZAXQEJDKAUKQLK-UHFFFAOYSA-N 2 0 186.343 2.060 10 0 AEAERP C[NH2+]CCCCCCCCC[NH2+]C 140825732 344002116 /nfs/dbraw/zinc/00/21/16/344002116.db2.gz LDHAYAOUODNBHI-UHFFFAOYSA-N 2 0 186.343 2.156 10 0 AEAERP CCC[NH+](C)C/C=C/C[N@@H+](C)CCC 144688802 344028462 /nfs/dbraw/zinc/02/84/62/344028462.db2.gz HTXDZFFYKUMGBA-BQYQJAHWSA-N 2 0 198.354 2.226 10 0 AEAERP CC1(C)CCC[C@H]([NH2+]C2CC([NH3+])C2)C1 149421424 344065796 /nfs/dbraw/zinc/06/57/96/344065796.db2.gz VZSXRNKDTRSXRA-YVNMAJEFSA-N 2 0 196.338 2.035 10 0 AEAERP CC1(C)CCC[C@@H]([NH2+]C2CC([NH3+])C2)C1 149421614 344065888 /nfs/dbraw/zinc/06/58/88/344065888.db2.gz VZSXRNKDTRSXRA-HSOILSAZSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C(C)(C)C 162695972 344212233 /nfs/dbraw/zinc/21/22/33/344212233.db2.gz ADGLFWAMFKNCAT-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(C)(C)C 162695758 344212248 /nfs/dbraw/zinc/21/22/48/344212248.db2.gz ADGLFWAMFKNCAT-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(C)(C)C 162695665 344212251 /nfs/dbraw/zinc/21/22/51/344212251.db2.gz ADGLFWAMFKNCAT-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C(C)(C)C 162695888 344212268 /nfs/dbraw/zinc/21/22/68/344212268.db2.gz ADGLFWAMFKNCAT-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H](C[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 166208940 344276256 /nfs/dbraw/zinc/27/62/56/344276256.db2.gz MAHNHLWRIFFZFZ-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H](C[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 166208807 344276314 /nfs/dbraw/zinc/27/63/14/344276314.db2.gz MAHNHLWRIFFZFZ-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H](C[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 166208702 344276428 /nfs/dbraw/zinc/27/64/28/344276428.db2.gz MAHNHLWRIFFZFZ-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 166208596 344276548 /nfs/dbraw/zinc/27/65/48/344276548.db2.gz MAHNHLWRIFFZFZ-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP Cc1cc(NC(C)(C)C)c(C[NH3+])c[nH+]1 166360175 344279934 /nfs/dbraw/zinc/27/99/34/344279934.db2.gz VXPVAPQIAMBHMZ-UHFFFAOYSA-N 2 0 193.294 2.059 10 0 AEAERP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1C 166875570 344291044 /nfs/dbraw/zinc/29/10/44/344291044.db2.gz AQMODTVOVMSBGV-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1C 166875688 344291192 /nfs/dbraw/zinc/29/11/92/344291192.db2.gz AQMODTVOVMSBGV-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H]([NH2+]C[C@@H]1CCCN1C)C(C)C 166882460 344291480 /nfs/dbraw/zinc/29/14/80/344291480.db2.gz SXZWGKVUXZKRRO-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@@H]([NH2+]C[C@@H]1CCCN1C)C(C)(C)C 166883916 344291521 /nfs/dbraw/zinc/29/15/21/344291521.db2.gz HVSDXRZYPCOKNL-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H]([NH2+]C[C@@H]1CCCN1C)C(C)C 166882353 344291585 /nfs/dbraw/zinc/29/15/85/344291585.db2.gz SXZWGKVUXZKRRO-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([NH2+]C[C@@H]1CCCN1C)C(C)(C)C 166883809 344291621 /nfs/dbraw/zinc/29/16/21/344291621.db2.gz HVSDXRZYPCOKNL-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C 166881222 344291755 /nfs/dbraw/zinc/29/17/55/344291755.db2.gz ZBJFGXARNVTVFM-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1CCCN1C 166881298 344291914 /nfs/dbraw/zinc/29/19/14/344291914.db2.gz ZBJFGXARNVTVFM-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[NH2+]C1(C)CCN(CC=C(C)C)CC1 168483342 344331858 /nfs/dbraw/zinc/33/18/58/344331858.db2.gz PBBXBQQLWIBFNN-UHFFFAOYSA-N 2 0 196.338 2.027 10 0 AEAERP CCC(CC)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 169032050 344342993 /nfs/dbraw/zinc/34/29/93/344342993.db2.gz RVOTZTGGOSYZSZ-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 169230830 344349285 /nfs/dbraw/zinc/34/92/85/344349285.db2.gz YEGCGYFQKOVTNL-NEPJUHHUSA-N 2 0 190.290 2.129 10 0 AEAERP CC(C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 169230759 344349298 /nfs/dbraw/zinc/34/92/98/344349298.db2.gz YEGCGYFQKOVTNL-VXGBXAGGSA-N 2 0 190.290 2.129 10 0 AEAERP CC(C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 169230687 344349544 /nfs/dbraw/zinc/34/95/44/344349544.db2.gz YEGCGYFQKOVTNL-RYUDHWBXSA-N 2 0 190.290 2.129 10 0 AEAERP CC(C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 169230603 344349624 /nfs/dbraw/zinc/34/96/24/344349624.db2.gz YEGCGYFQKOVTNL-NWDGAFQWSA-N 2 0 190.290 2.129 10 0 AEAERP CC[C@]1(CN2CCC[C@@H]2C)CCC[NH2+]1 215377001 344388759 /nfs/dbraw/zinc/38/87/59/344388759.db2.gz DSVZOGKOCOJBNN-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@]1(CN2CCC[C@@H]2C)CCC[NH2+]1 215377042 344388806 /nfs/dbraw/zinc/38/88/06/344388806.db2.gz DSVZOGKOCOJBNN-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+]C(C)(C)CN1CC[C@H](C)C[C@@H]1C 216325945 344396528 /nfs/dbraw/zinc/39/65/28/344396528.db2.gz MKHSSHZCFTWQJL-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]C(C)(C)CN1CC[C@@H](C)C[C@@H]1C 216325892 344396743 /nfs/dbraw/zinc/39/67/43/344396743.db2.gz MKHSSHZCFTWQJL-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H]1CC[N@H+](C2CCC2)[C@@H](C)C1 216369326 344397027 /nfs/dbraw/zinc/39/70/27/344397027.db2.gz LOOYVEQIEXAJBM-QWRGUYRKSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+](C2CCC2)[C@@H](C)C1 216369279 344397171 /nfs/dbraw/zinc/39/71/71/344397171.db2.gz LOOYVEQIEXAJBM-WDEREUQCSA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]1CC[N@H+](CCC(C)(C)[NH3+])[C@@H](C)C1 217450090 344401721 /nfs/dbraw/zinc/40/17/21/344401721.db2.gz BFOACAVOJSCQLM-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1C[C@H](C)CC[N@@H+]1CCC(C)(C)[NH3+] 217450021 344401839 /nfs/dbraw/zinc/40/18/39/344401839.db2.gz BFOACAVOJSCQLM-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC1CCC([N@@H+](C)[C@@H](C)[C@H](C)N)CC1 218479462 344412672 /nfs/dbraw/zinc/41/26/72/344412672.db2.gz RZEGXKKJDSCHMO-YECOWLKZSA-N 2 0 198.354 2.233 10 0 AEAERP CC1CCC([N@@H+](C)[C@H](C)[C@H](C)N)CC1 218479379 344412789 /nfs/dbraw/zinc/41/27/89/344412789.db2.gz RZEGXKKJDSCHMO-LVFLEHKBSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[N@@H+]1CCCCC[C@@H]1C 218665194 344414722 /nfs/dbraw/zinc/41/47/22/344414722.db2.gz VQAQFOQVMGMQLR-SRVKXCTJSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C 218652142 344414849 /nfs/dbraw/zinc/41/48/49/344414849.db2.gz CVCYMQBDSQGPNA-RHYQMDGZSA-N 2 0 198.354 2.233 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[NH2+][C@@H](C)CC1 219626646 344426059 /nfs/dbraw/zinc/42/60/59/344426059.db2.gz XYUYWJUXBVAUNW-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@H]1C[NH2+][C@H](C)CC[N@@H+](C(C)(C)C)C1 219612347 344426078 /nfs/dbraw/zinc/42/60/78/344426078.db2.gz OTNCRTYTCODVQX-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[C@@H](C)[N@@H+]1CCC[NH2+][C@@H](C)CC1 219607810 344426153 /nfs/dbraw/zinc/42/61/53/344426153.db2.gz QLSSHKPYDKOSJB-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CCC[N@@H+]1CC[C@H](C)[NH2+][C@@H](CC)CC1 219642745 344426174 /nfs/dbraw/zinc/42/61/74/344426174.db2.gz LBMQZNKFXXQTHI-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[N@@H+]1CC[C@H](CC)[NH2+]C[C@@H](C)C1 219642891 344426191 /nfs/dbraw/zinc/42/61/91/344426191.db2.gz AOEGMMRCUMDTOU-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1CC[N@@H+](C(C)C)CC[C@@H](C)[NH2+]1 219613401 344426238 /nfs/dbraw/zinc/42/62/38/344426238.db2.gz NYUCELZOXRCFQM-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[N@H+]1CC[C@H](CC)[NH2+][C@H](C)CC1 219642665 344426249 /nfs/dbraw/zinc/42/62/49/344426249.db2.gz LBMQZNKFXXQTHI-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H](C)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 219627403 344426326 /nfs/dbraw/zinc/42/63/26/344426326.db2.gz FQPNIQZRQLAXRB-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[N@@H+]1CC[C@@H](CC)[NH2+]C[C@@H](C)C1 219642819 344426361 /nfs/dbraw/zinc/42/63/61/344426361.db2.gz AOEGMMRCUMDTOU-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[NH2+][C@@H](C)CC1 219626574 344426395 /nfs/dbraw/zinc/42/63/95/344426395.db2.gz XYUYWJUXBVAUNW-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@@H](C)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 219627345 344426445 /nfs/dbraw/zinc/42/64/45/344426445.db2.gz FQPNIQZRQLAXRB-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 219634326 344426450 /nfs/dbraw/zinc/42/64/50/344426450.db2.gz VQMQVACFGGXUKL-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H]1CC[N@@H+](C(C)C)CC[C@@H](C)[NH2+]1 219613457 344426460 /nfs/dbraw/zinc/42/64/60/344426460.db2.gz NYUCELZOXRCFQM-NEPJUHHUSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@H]1C[NH2+][C@@H](C)CC[N@@H+](C(C)(C)C)C1 219612297 344426467 /nfs/dbraw/zinc/42/64/67/344426467.db2.gz OTNCRTYTCODVQX-QWRGUYRKSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219800677 344428295 /nfs/dbraw/zinc/42/82/95/344428295.db2.gz MWISFKFPJXZKJJ-SDDRHHMPSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219841625 344429002 /nfs/dbraw/zinc/42/90/02/344429002.db2.gz FMFUNXDPWJFOFC-FIQHERPVSA-N 2 0 198.354 2.090 10 0 AEAERP CCC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 220183440 344430876 /nfs/dbraw/zinc/43/08/76/344430876.db2.gz AHVRVRQKRNUEOW-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 220183510 344431124 /nfs/dbraw/zinc/43/11/24/344431124.db2.gz AHVRVRQKRNUEOW-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@@H]1CCC[C@@H]1N1CCCC1(C)C 220874323 344436305 /nfs/dbraw/zinc/43/63/05/344436305.db2.gz CYQNFARKYXKUAG-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H]1CCC[C@H]1N1CCCC1(C)C 220874378 344436477 /nfs/dbraw/zinc/43/64/77/344436477.db2.gz CYQNFARKYXKUAG-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1N 222058351 344448567 /nfs/dbraw/zinc/44/85/67/344448567.db2.gz XIHABWHRFOWPIH-FIQHERPVSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@H]1C[C@H](C)CC[N@H+]1[C@H](C)[C@H](C)C[NH3+] 222136073 344449190 /nfs/dbraw/zinc/44/91/90/344449190.db2.gz OGUBKIYIDKQTCV-WISYIIOYSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@@H](C[NH3+])[C@@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C 222136030 344449377 /nfs/dbraw/zinc/44/93/77/344449377.db2.gz OGUBKIYIDKQTCV-NOOOWODRSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1CCCCC[N@H+]1[C@@H](C)[C@H](C)C[NH3+] 222161702 344449709 /nfs/dbraw/zinc/44/97/09/344449709.db2.gz QXFSTFFZKLTKAK-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1CCCCC[N@H+]1[C@H](C)[C@H](C)C[NH3+] 222161640 344449958 /nfs/dbraw/zinc/44/99/58/344449958.db2.gz QXFSTFFZKLTKAK-GRYCIOLGSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([N@H+](C)[C@@H]1CC[C@@H]([NH3+])C1)C(C)(C)C 223159027 344457241 /nfs/dbraw/zinc/45/72/41/344457241.db2.gz ZCQMHSOUMBZLKQ-HBNTYKKESA-N 2 0 198.354 2.233 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@@H]1CCC[C@@H]([NH3+])C1 223162531 344457313 /nfs/dbraw/zinc/45/73/13/344457313.db2.gz NEYJRQSPSQYBQT-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@H]1CCC[C@@H]([NH3+])C1 223162594 344457679 /nfs/dbraw/zinc/45/76/79/344457679.db2.gz NEYJRQSPSQYBQT-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[N@H+](C1CCCC1)[C@H]1CC[C@@H]([NH3+])C1 223121059 344457690 /nfs/dbraw/zinc/45/76/90/344457690.db2.gz RKDFUXQNCYERDA-PWSUYJOCSA-N 2 0 196.338 2.131 10 0 AEAERP CC1(C)CCC[N@@H+]1[C@H]1CCC[C@@H]([NH3+])C1 223176596 344458058 /nfs/dbraw/zinc/45/80/58/344458058.db2.gz ZDIIHVKSJGZRCU-MNOVXSKESA-N 2 0 196.338 2.131 10 0 AEAERP CC1(C)CCC[N@@H+]1[C@@H]1CCC[C@@H]([NH3+])C1 223176535 344458178 /nfs/dbraw/zinc/45/81/78/344458178.db2.gz ZDIIHVKSJGZRCU-GHMZBOCLSA-N 2 0 196.338 2.131 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@@H]([NH3+])C1 223182608 344458235 /nfs/dbraw/zinc/45/82/35/344458235.db2.gz BSTVISXRZUDHOT-GHMZBOCLSA-N 2 0 198.354 2.377 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@H]1CCC[C@@H]([NH3+])C1 223182671 344458293 /nfs/dbraw/zinc/45/82/93/344458293.db2.gz BSTVISXRZUDHOT-MNOVXSKESA-N 2 0 198.354 2.377 10 0 AEAERP C[NH2+][C@@H]1CC[C@@H]([N@@H+]2CCCC2(C)C)C1 225730324 344485238 /nfs/dbraw/zinc/48/52/38/344485238.db2.gz RVOVEADAMHRTAG-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H]1CC[C@H]([N@@H+]2CCCC2(C)C)C1 225730354 344485386 /nfs/dbraw/zinc/48/53/86/344485386.db2.gz RVOVEADAMHRTAG-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]1CC[N@H+](CC(C)(C)C[NH3+])[C@@H](C)C1 225776152 344486950 /nfs/dbraw/zinc/48/69/50/344486950.db2.gz MXKCWCGOIMOZLA-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[C@H](C)CC[N@@H+]1CC(C)(C)C[NH3+] 225776129 344486982 /nfs/dbraw/zinc/48/69/82/344486982.db2.gz MXKCWCGOIMOZLA-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)=CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 226469002 344503750 /nfs/dbraw/zinc/50/37/50/344503750.db2.gz GKMIBEFAJCXULK-LBPRGKRZSA-N 2 0 196.338 2.027 10 0 AEAERP CC(C)=CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 226468999 344503862 /nfs/dbraw/zinc/50/38/62/344503862.db2.gz GKMIBEFAJCXULK-GFCCVEGCSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@H]([NH3+])C(C)(C)C[N@@H+]1CCC[C@@H](C)C1 227285768 344527264 /nfs/dbraw/zinc/52/72/64/344527264.db2.gz CLBJQJBPENWHOV-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1CCCC[N@H+]1CC(C)(C)[C@H](C)[NH3+] 227285643 344527518 /nfs/dbraw/zinc/52/75/18/344527518.db2.gz SORQVWUEUZFDKL-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCC[C@@H](C)CC1 228599944 344564091 /nfs/dbraw/zinc/56/40/91/344564091.db2.gz VRMOIDUJMYVWQL-WOPDTQHZSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)CC1)[C@@H](C)[NH3+] 228599940 344564165 /nfs/dbraw/zinc/56/41/65/344564165.db2.gz VRMOIDUJMYVWQL-GRYCIOLGSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH3+])[C@H](C)C[N@@H+]1CCCCC[C@@H]1C 228600524 344564222 /nfs/dbraw/zinc/56/42/22/344564222.db2.gz KNBOJPXOEOZBQD-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](C[N@@H+]1CC[C@@H](C)C[C@@H]1C)[C@@H](C)[NH3+] 228598503 344564283 /nfs/dbraw/zinc/56/42/83/344564283.db2.gz OFYUNLVFULTEPM-NOOOWODRSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH3+])[C@H](C)C[N@@H+]1CCC[C@@H](C)CC1 228599948 344564351 /nfs/dbraw/zinc/56/43/51/344564351.db2.gz VRMOIDUJMYVWQL-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CC[C@@H](C)C[C@@H]1C 228598507 344564368 /nfs/dbraw/zinc/56/43/68/344564368.db2.gz OFYUNLVFULTEPM-RHYQMDGZSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCCCC[C@@H]1C 228600513 344564427 /nfs/dbraw/zinc/56/44/27/344564427.db2.gz KNBOJPXOEOZBQD-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])[C@H](C)C[NH+]1[C@@H](C)CCC[C@@H]1C 228592630 344564446 /nfs/dbraw/zinc/56/44/46/344564446.db2.gz PLILGVPWAKGRBJ-RHYQMDGZSA-N 2 0 198.354 2.233 10 0 AEAERP CC1([NH2+]CC2CCC([NH3+])CC2)CCC1 228881787 344572901 /nfs/dbraw/zinc/57/29/01/344572901.db2.gz HGLDLFMOZDURBM-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP CCC1([NH+]2CCC[NH2+]CCC2)CCC1 229541829 344601799 /nfs/dbraw/zinc/60/17/99/344601799.db2.gz PBZVDIZHWLRVPA-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@@H]1C[C@H]([N@@H+]2CCCC2(C)C)CC[NH2+]1 229547097 344602256 /nfs/dbraw/zinc/60/22/56/344602256.db2.gz WZDOVQGCQWMPFR-GHMZBOCLSA-N 2 0 196.338 2.001 10 0 AEAERP CCC1([N@@H+]2CCCN[C@H](C)C2)CCC1 229562521 344604311 /nfs/dbraw/zinc/60/43/11/344604311.db2.gz UWABGZCLKSGDPD-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CCC(C)(CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 230960892 344646110 /nfs/dbraw/zinc/64/61/10/344646110.db2.gz XLUPOWQJRGQNMU-WDEREUQCSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(C)(CC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 230960896 344646203 /nfs/dbraw/zinc/64/62/03/344646203.db2.gz XLUPOWQJRGQNMU-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C1CC[NH+]([C@@H](C)[C@H](C)[NH3+])CC1 232608399 344685548 /nfs/dbraw/zinc/68/55/48/344685548.db2.gz CJFHYNJYSCWKAB-QWRGUYRKSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)C1CC[NH+]([C@@H](C)[C@@H](C)[NH3+])CC1 232608081 344685596 /nfs/dbraw/zinc/68/55/96/344685596.db2.gz CJFHYNJYSCWKAB-MNOVXSKESA-N 2 0 198.354 2.090 10 0 AEAERP CC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC1 233021872 344698554 /nfs/dbraw/zinc/69/85/54/344698554.db2.gz SQCXLQWDBTZIEV-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP CC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC1 233022949 344698703 /nfs/dbraw/zinc/69/87/03/344698703.db2.gz SQCXLQWDBTZIEV-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC1 233028919 344699335 /nfs/dbraw/zinc/69/93/35/344699335.db2.gz SQCXLQWDBTZIEV-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP C/C=C/C[NH2+]C1CC[NH+](CCC)CC1 233034586 344699483 /nfs/dbraw/zinc/69/94/83/344699483.db2.gz HGGOOZWZYUMMJV-HWKANZROSA-N 2 0 196.338 2.027 10 0 AEAERP CC[N@H+](C)C[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 249919751 344828759 /nfs/dbraw/zinc/82/87/59/344828759.db2.gz KVCQBYREJTTYDD-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](C1CCCC1)[C@@H]1CCC[C@H]1N 249988420 344828873 /nfs/dbraw/zinc/82/88/73/344828873.db2.gz MNRUYVRKENYGOG-VXGBXAGGSA-N 2 0 196.338 2.131 10 0 AEAERP CC[N@H+](C1CCCC1)[C@H]1CCC[C@H]1N 249988417 344828897 /nfs/dbraw/zinc/82/88/97/344828897.db2.gz MNRUYVRKENYGOG-NEPJUHHUSA-N 2 0 196.338 2.131 10 0 AEAERP CC[N@H+](C)C[C@H]1CC(C)(C)CC[C@H]1[NH3+] 249919748 344828935 /nfs/dbraw/zinc/82/89/35/344828935.db2.gz KVCQBYREJTTYDD-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](C)C[C@H]1CCCC(C)(C)[C@H]1[NH3+] 250064623 344829377 /nfs/dbraw/zinc/82/93/77/344829377.db2.gz QAJCDHBWICCLMB-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@H+](C)C[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 250064628 344829405 /nfs/dbraw/zinc/82/94/05/344829405.db2.gz QAJCDHBWICCLMB-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC[N@@H+]1C[C@H](C(C)(C)C)[NH2+]CC[C@H]1C 250240171 344831056 /nfs/dbraw/zinc/83/10/56/344831056.db2.gz HFIMOQAUYWGOMB-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@H+](C1CCCC1)[C@@H]1CCCC[C@H]1N 250422538 344833831 /nfs/dbraw/zinc/83/38/31/344833831.db2.gz PLUYMGXIPOZQNC-VXGBXAGGSA-N 2 0 196.338 2.131 10 0 AEAERP C[N@H+](C1CCCC1)[C@H]1CCCC[C@H]1N 250422532 344833844 /nfs/dbraw/zinc/83/38/44/344833844.db2.gz PLUYMGXIPOZQNC-NEPJUHHUSA-N 2 0 196.338 2.131 10 0 AEAERP CC(C)[N@H+](C)C[C@@H]1CCC(C)(C)[C@H]1[NH3+] 250493874 344834313 /nfs/dbraw/zinc/83/43/13/344834313.db2.gz ICUIKJQVZOFVML-QWRGUYRKSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@H+](C)C[C@H]1CCC(C)(C)[C@H]1[NH3+] 250493873 344834513 /nfs/dbraw/zinc/83/45/13/344834513.db2.gz ICUIKJQVZOFVML-MNOVXSKESA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C[C@H]1C 250766405 344840443 /nfs/dbraw/zinc/84/04/43/344840443.db2.gz YSDPMQJWEMUZHT-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C[C@H]1C 250766406 344840449 /nfs/dbraw/zinc/84/04/49/344840449.db2.gz YSDPMQJWEMUZHT-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@@H]1CC[NH2+]C[C@H]1C 251217017 344849335 /nfs/dbraw/zinc/84/93/35/344849335.db2.gz FKDGMXWNCALNRX-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C)C[C@H]1C 251210951 344849450 /nfs/dbraw/zinc/84/94/50/344849450.db2.gz DKWDIGJKOLVKKS-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@H]1CC[NH2+]C[C@H]1C 251217018 344849499 /nfs/dbraw/zinc/84/94/99/344849499.db2.gz FKDGMXWNCALNRX-MNOVXSKESA-N 2 0 198.354 2.105 10 0 AEAERP CCC(C)(C)[N@@H+]1CC[C@H]([NH2+]C)C[C@H]1C 251210954 344849664 /nfs/dbraw/zinc/84/96/64/344849664.db2.gz DKWDIGJKOLVKKS-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[C@H](C)[N@H+](C)[C@H]1CCC[NH2+]CC1 251297996 344851876 /nfs/dbraw/zinc/85/18/76/344851876.db2.gz HMGGQKPPFPBSNN-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)[C@H]1CCC[NH2+]CC1 251297991 344851944 /nfs/dbraw/zinc/85/19/44/344851944.db2.gz HMGGQKPPFPBSNN-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 251395272 344853258 /nfs/dbraw/zinc/85/32/58/344853258.db2.gz XTMJWAYMMLDOGO-HBNTYKKESA-N 2 0 184.327 2.035 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1CCCCC[C@H]1[NH3+] 251395270 344853392 /nfs/dbraw/zinc/85/33/92/344853392.db2.gz XTMJWAYMMLDOGO-AXFHLTTASA-N 2 0 184.327 2.035 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] 251422120 344853868 /nfs/dbraw/zinc/85/38/68/344853868.db2.gz QAVJEBNQBWKGBG-SDDRHHMPSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] 251422122 344853627 /nfs/dbraw/zinc/85/36/27/344853627.db2.gz QAVJEBNQBWKGBG-SRVKXCTJSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1C[N@@H+]([C@H](C)C(C)C)CC[C@H]1[NH3+] 251557677 344857878 /nfs/dbraw/zinc/85/78/78/344857878.db2.gz BJCTYLCEIADPCC-IJLUTSLNSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H]1C[N@@H+]([C@H](C)C(C)C)CC[C@@H]1[NH3+] 251557698 344858047 /nfs/dbraw/zinc/85/80/47/344858047.db2.gz BJCTYLCEIADPCC-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@@H]1C[N@@H+]([C@@H](C)C(C)C)CC[C@H]1[NH3+] 251557688 344858060 /nfs/dbraw/zinc/85/80/60/344858060.db2.gz BJCTYLCEIADPCC-QJPTWQEYSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1CCC[N@@H+](CC(C)(C)[C@H](C)[NH3+])C1 251619244 344861510 /nfs/dbraw/zinc/86/15/10/344861510.db2.gz CLBJQJBPENWHOV-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 251729779 344869356 /nfs/dbraw/zinc/86/93/56/344869356.db2.gz FMFUNXDPWJFOFC-BJDJZHNGSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251729786 344869433 /nfs/dbraw/zinc/86/94/33/344869433.db2.gz FMFUNXDPWJFOFC-WHOHXGKFSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H]1C[N@H+](CC(C)(C)C)CC[C@H]1[NH3+] 251754042 344870530 /nfs/dbraw/zinc/87/05/30/344870530.db2.gz LNSVSXPHSKBYTC-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H]1C[N@H+](CC(C)(C)C)CC[C@H]1[NH3+] 251754041 344870709 /nfs/dbraw/zinc/87/07/09/344870709.db2.gz LNSVSXPHSKBYTC-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251779819 344872453 /nfs/dbraw/zinc/87/24/53/344872453.db2.gz MWISFKFPJXZKJJ-GRYCIOLGSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 251960818 344882743 /nfs/dbraw/zinc/88/27/43/344882743.db2.gz VQMQVACFGGXUKL-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 251960819 344882768 /nfs/dbraw/zinc/88/27/68/344882768.db2.gz VQMQVACFGGXUKL-WOPDTQHZSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 252101255 344884971 /nfs/dbraw/zinc/88/49/71/344884971.db2.gz GHQVDQKNCAECTJ-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 252101257 344885333 /nfs/dbraw/zinc/88/53/33/344885333.db2.gz GHQVDQKNCAECTJ-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]([NH3+])C1 252102052 344885410 /nfs/dbraw/zinc/88/54/10/344885410.db2.gz GKRZGTVZHIHBEV-WYUUTHIRSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]([NH3+])C1 252102051 344885434 /nfs/dbraw/zinc/88/54/34/344885434.db2.gz GKRZGTVZHIHBEV-RHYQMDGZSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)[N@H+](C)C[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 252180407 344890006 /nfs/dbraw/zinc/89/00/06/344890006.db2.gz SUQLJLKTEFEARL-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CC(C)[N@H+](C)C[C@H]1C[C@H](C)CC[C@H]1[NH3+] 252180405 344890135 /nfs/dbraw/zinc/89/01/35/344890135.db2.gz SUQLJLKTEFEARL-IJLUTSLNSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[N@@H+]1CCCCC[C@H]1C 252208417 344891957 /nfs/dbraw/zinc/89/19/57/344891957.db2.gz VQAQFOQVMGMQLR-QJPTWQEYSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[N@@H+]1CCCCC[C@H]1C 252208418 344892293 /nfs/dbraw/zinc/89/22/93/344892293.db2.gz VQAQFOQVMGMQLR-TUAOUCFPSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]1 252221177 344893758 /nfs/dbraw/zinc/89/37/58/344893758.db2.gz ZBOCIOKZFPCYAP-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]1 252221178 344894008 /nfs/dbraw/zinc/89/40/08/344894008.db2.gz ZBOCIOKZFPCYAP-VXGBXAGGSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@H]1CCC[N@H+](CCC(C)(C)[NH3+])[C@H]1C 252220979 344894030 /nfs/dbraw/zinc/89/40/30/344894030.db2.gz ZABXXIYSESVXPA-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1[C@H](C)CCC[N@@H+]1CCC(C)(C)[NH3+] 252220978 344894080 /nfs/dbraw/zinc/89/40/80/344894080.db2.gz ZABXXIYSESVXPA-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1N 252437738 344896268 /nfs/dbraw/zinc/89/62/68/344896268.db2.gz XIHABWHRFOWPIH-WRWGMCAJSA-N 2 0 198.354 2.233 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1N 252437737 344896633 /nfs/dbraw/zinc/89/66/33/344896633.db2.gz XIHABWHRFOWPIH-NNYUYHANSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@@H]1CC[N@@H+]([C@H](C)[C@H](C)C[NH3+])[C@H](C)C1 252603765 344904058 /nfs/dbraw/zinc/90/40/58/344904058.db2.gz OGUBKIYIDKQTCV-DDHJBXDOSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@@H](C[NH3+])[C@@H](C)[N@@H+]1CC[C@@H](C)C[C@H]1C 252603766 344904109 /nfs/dbraw/zinc/90/41/09/344904109.db2.gz OGUBKIYIDKQTCV-WRWGMCAJSA-N 2 0 198.354 2.090 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)[C@@H](C)[C@@H]1C 252605759 344904597 /nfs/dbraw/zinc/90/45/97/344904597.db2.gz PYWIIGDWJXFZHT-BJDJZHNGSA-N 2 0 198.354 2.103 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+](C(C)C)[C@H](C)[C@H]1C 252614012 344904639 /nfs/dbraw/zinc/90/46/39/344904639.db2.gz XSEQBNWKPIVOSD-IJLUTSLNSA-N 2 0 198.354 2.103 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)[C@@H](C)[C@H]1C 252605761 344904701 /nfs/dbraw/zinc/90/47/01/344904701.db2.gz PYWIIGDWJXFZHT-YFKTTZPYSA-N 2 0 198.354 2.103 10 0 AEAERP C[C@@H]([C@H](C)C[NH3+])[N@@H+]1CCCCC[C@H]1C 252606894 344904763 /nfs/dbraw/zinc/90/47/63/344904763.db2.gz QXFSTFFZKLTKAK-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@H]1C 252605760 344904937 /nfs/dbraw/zinc/90/49/37/344904937.db2.gz PYWIIGDWJXFZHT-QCNOEVLYSA-N 2 0 198.354 2.103 10 0 AEAERP C[C@H](C[NH3+])[C@@H](C)[N@@H+]1CCCCC[C@H]1C 252606893 344904996 /nfs/dbraw/zinc/90/49/96/344904996.db2.gz QXFSTFFZKLTKAK-IJLUTSLNSA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+](C(C)C)[C@@H](C)[C@H]1C 252614011 344905040 /nfs/dbraw/zinc/90/50/40/344905040.db2.gz XSEQBNWKPIVOSD-GRYCIOLGSA-N 2 0 198.354 2.103 10 0 AEAERP C[C@H]([NH3+])[C@H](C)C[NH+]1[C@H](C)CCC[C@H]1C 252864907 344916703 /nfs/dbraw/zinc/91/67/03/344916703.db2.gz PLILGVPWAKGRBJ-KKOKHZNYSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CC[C@@H](C)C[C@H]1C 252862729 344916709 /nfs/dbraw/zinc/91/67/09/344916709.db2.gz OFYUNLVFULTEPM-KXNHARMFSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH3+])[C@H](C)C[N@@H+]1CCCCC[C@H]1C 252855991 344916728 /nfs/dbraw/zinc/91/67/28/344916728.db2.gz KNBOJPXOEOZBQD-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCCCC[C@H]1C 252855990 344916857 /nfs/dbraw/zinc/91/68/57/344916857.db2.gz KNBOJPXOEOZBQD-TUAOUCFPSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C)[C@@H](C)[NH3+] 252862730 344916919 /nfs/dbraw/zinc/91/69/19/344916919.db2.gz OFYUNLVFULTEPM-WRWGMCAJSA-N 2 0 198.354 2.090 10 0 AEAERP CC[NH2+][C@H]1CC[N@@H+](C2(C)CC2)[C@H](C)C1 252934425 344919822 /nfs/dbraw/zinc/91/98/22/344919822.db2.gz DQAHBZUJOBVNIN-MNOVXSKESA-N 2 0 196.338 2.001 10 0 AEAERP C[C@H]([NH3+])CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253089024 344927068 /nfs/dbraw/zinc/92/70/68/344927068.db2.gz CKMQHXLWLMRZEL-WISYIIOYSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH3+])CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 253089025 344927126 /nfs/dbraw/zinc/92/71/26/344927126.db2.gz CKMQHXLWLMRZEL-WYUUTHIRSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH3+])CC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C 253089022 344927133 /nfs/dbraw/zinc/92/71/33/344927133.db2.gz CKMQHXLWLMRZEL-NOOOWODRSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]([NH3+])CC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 253089023 344927258 /nfs/dbraw/zinc/92/72/58/344927258.db2.gz CKMQHXLWLMRZEL-RHYQMDGZSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)CC1 253131820 344927582 /nfs/dbraw/zinc/92/75/82/344927582.db2.gz PBSUCQHGMMVVAO-FIQHERPVSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH3+])C2)CC1 253131822 344927736 /nfs/dbraw/zinc/92/77/36/344927736.db2.gz PBSUCQHGMMVVAO-KKOKHZNYSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)CC1 253131816 344927793 /nfs/dbraw/zinc/92/77/93/344927793.db2.gz PBSUCQHGMMVVAO-BJDJZHNGSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]([NH3+])C2)CC1 253131818 344927849 /nfs/dbraw/zinc/92/78/49/344927849.db2.gz PBSUCQHGMMVVAO-DDHJBXDOSA-N 2 0 196.338 2.035 10 0 AEAERP CCC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 300014328 344962999 /nfs/dbraw/zinc/96/29/99/344962999.db2.gz AHVRVRQKRNUEOW-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 300400327 344982689 /nfs/dbraw/zinc/98/26/89/344982689.db2.gz XLUPOWQJRGQNMU-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(C)(CC)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 300400328 344982928 /nfs/dbraw/zinc/98/29/28/344982928.db2.gz XLUPOWQJRGQNMU-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC1(C)C 300772499 344994839 /nfs/dbraw/zinc/99/48/39/344994839.db2.gz AENPBTBWDBWUCM-SNVBAGLBSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)(C)C[NH2+][C@H]1CC[NH2+]CC1(C)C 300772498 344995009 /nfs/dbraw/zinc/99/50/09/344995009.db2.gz AENPBTBWDBWUCM-JTQLQIEISA-N 2 0 198.354 2.010 10 0 AEAERP CCc1cc(C2(C[NH3+])CCC2)ccn1 306164704 345055954 /nfs/dbraw/zinc/05/59/54/345055954.db2.gz AEFDGNNYIHMVIC-UHFFFAOYSA-N 2 0 190.290 2.024 10 0 AEAERP C[NH2+]C1(CN2CCCC[C@@H]2C)CCC1 306185392 345075581 /nfs/dbraw/zinc/07/55/81/345075581.db2.gz ABLYVJJHNYFLQY-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+]C1(CN2CCCC[C@H]2C)CCC1 306185391 345075596 /nfs/dbraw/zinc/07/55/96/345075596.db2.gz ABLYVJJHNYFLQY-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)(C)CC[N@@H+]1CCC[C@@H]([NH3+])CC1 306239310 345132147 /nfs/dbraw/zinc/13/21/47/345132147.db2.gz QDYHAWLKZKDSTB-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)CC[N@@H+]1CCC[C@H]([NH3+])CC1 306239318 345132307 /nfs/dbraw/zinc/13/23/07/345132307.db2.gz QDYHAWLKZKDSTB-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC2)C[C@H]1C 306248250 345140376 /nfs/dbraw/zinc/14/03/76/345140376.db2.gz PWUIVDHDMKGJGM-ZYHUDNBSSA-N 2 0 196.338 2.001 10 0 AEAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCC2)C[C@@H]1C 306248248 345140382 /nfs/dbraw/zinc/14/03/82/345140382.db2.gz PWUIVDHDMKGJGM-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCC2)C[C@H]1C 306248249 345140487 /nfs/dbraw/zinc/14/04/87/345140487.db2.gz PWUIVDHDMKGJGM-PWSUYJOCSA-N 2 0 196.338 2.001 10 0 AEAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC2)C[C@@H]1C 306248247 345140518 /nfs/dbraw/zinc/14/05/18/345140518.db2.gz PWUIVDHDMKGJGM-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+][C@@H](C)C[N@@H+]1CCCC12CCCC2 306318964 345196870 /nfs/dbraw/zinc/19/68/70/345196870.db2.gz AQGZAMOZXVBTAS-NSHDSACASA-N 2 0 196.338 2.003 10 0 AEAERP C[NH2+][C@H](C)C[N@@H+]1CCCC12CCCC2 306318963 345196993 /nfs/dbraw/zinc/19/69/93/345196993.db2.gz AQGZAMOZXVBTAS-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@@H]1C[C@@H]([N@H+](C)C(C)(C)C)CC[NH2+]1 306328278 345205322 /nfs/dbraw/zinc/20/53/22/345205322.db2.gz LGRNHFOLMHEORR-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]1C[C@@H]([N@H+](C)C(C)(C)C)CC[NH2+]1 306328279 345205498 /nfs/dbraw/zinc/20/54/98/345205498.db2.gz LGRNHFOLMHEORR-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H]1C[C@H]([N@H+](C)C(C)(C)C)CC[NH2+]1 306328280 345205526 /nfs/dbraw/zinc/20/55/26/345205526.db2.gz LGRNHFOLMHEORR-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCN(C1CCCC1)[C@@H]1CC[NH2+][C@H]1C 306525117 345397016 /nfs/dbraw/zinc/39/70/16/345397016.db2.gz AFGIGGKDJNTZDZ-CMPLNLGQSA-N 2 0 196.338 2.001 10 0 AEAERP CCN(C1CCCC1)[C@H]1CC[NH2+][C@H]1C 306525118 345397260 /nfs/dbraw/zinc/39/72/60/345397260.db2.gz AFGIGGKDJNTZDZ-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CCCC1([N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 306561748 345437837 /nfs/dbraw/zinc/43/78/37/345437837.db2.gz NTCVCDIVFYORSL-GHMZBOCLSA-N 2 0 196.338 2.131 10 0 AEAERP CCCC1([N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 306561749 345437861 /nfs/dbraw/zinc/43/78/61/345437861.db2.gz NTCVCDIVFYORSL-MNOVXSKESA-N 2 0 196.338 2.131 10 0 AEAERP CCCC1([N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 306562123 345437910 /nfs/dbraw/zinc/43/79/10/345437910.db2.gz NTCVCDIVFYORSL-WDEREUQCSA-N 2 0 196.338 2.131 10 0 AEAERP C[C@H](N)C[N@H+](C)[C@@H]1CCC[C@H](C)CC1 306564885 345441115 /nfs/dbraw/zinc/44/11/15/345441115.db2.gz QQPVFAZHKPSSTG-SDDRHHMPSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](N)C[N@H+](C)[C@H]1CCC[C@@H](C)CC1 306564888 345441205 /nfs/dbraw/zinc/44/12/05/345441205.db2.gz QQPVFAZHKPSSTG-WOPDTQHZSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](N)C[N@H+](C)[C@H]1CCC[C@H](C)CC1 306564887 345441259 /nfs/dbraw/zinc/44/12/59/345441259.db2.gz QQPVFAZHKPSSTG-SRVKXCTJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]1CCCN1[C@@H](C)[C@@H]1CCC[NH2+]1 306580597 345457671 /nfs/dbraw/zinc/45/76/71/345457671.db2.gz OOROKWNSKPYZFX-TUAOUCFPSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H]1CCCN1[C@H](C)[C@@H]1CCC[NH2+]1 306580599 345457729 /nfs/dbraw/zinc/45/77/29/345457729.db2.gz OOROKWNSKPYZFX-UTUOFQBUSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H]1CCCN1[C@@H](C)[C@H]1CCC[NH2+]1 306580596 345457780 /nfs/dbraw/zinc/45/77/80/345457780.db2.gz OOROKWNSKPYZFX-QJPTWQEYSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@]1(C)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 306584175 345460841 /nfs/dbraw/zinc/46/08/41/345460841.db2.gz QBDLKYNBJZHLCH-QQFIATSDSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@@]1(C)C[C@H]1[NH2+]C1CCC([NH3+])CC1 306584172 345460855 /nfs/dbraw/zinc/46/08/55/345460855.db2.gz QBDLKYNBJZHLCH-HCWSGVFWSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@]1(C)C[C@H]1[NH2+]C1CCC([NH3+])CC1 306584173 345461046 /nfs/dbraw/zinc/46/10/46/345461046.db2.gz QBDLKYNBJZHLCH-KIDURHIOSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@]1(C)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 306584174 345461080 /nfs/dbraw/zinc/46/10/80/345461080.db2.gz QBDLKYNBJZHLCH-MMVSWEMESA-N 2 0 196.338 2.035 10 0 AEAERP CC[N@H+]([C@@H]1CCCC[C@H]1N)C(C)(C)C 306683962 345544958 /nfs/dbraw/zinc/54/49/58/345544958.db2.gz YDIJTQDLWOWPSO-GHMZBOCLSA-N 2 0 198.354 2.377 10 0 AEAERP CC[N@H+]([C@@H]1CCCC[C@@H]1N)C(C)(C)C 306683965 345545027 /nfs/dbraw/zinc/54/50/27/345545027.db2.gz YDIJTQDLWOWPSO-WDEREUQCSA-N 2 0 198.354 2.377 10 0 AEAERP CC[N@H+]([C@H]1CCCC[C@@H]1N)C(C)(C)C 306683964 345545140 /nfs/dbraw/zinc/54/51/40/345545140.db2.gz YDIJTQDLWOWPSO-QWRGUYRKSA-N 2 0 198.354 2.377 10 0 AEAERP CC[N@H+]([C@H]1CCCC[C@H]1N)C(C)(C)C 306683963 345545231 /nfs/dbraw/zinc/54/52/31/345545231.db2.gz YDIJTQDLWOWPSO-MNOVXSKESA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)(N)C[N@@H+]1CCCCC(C)(C)C1 306706070 345559454 /nfs/dbraw/zinc/55/94/54/345559454.db2.gz IXGPNEFPTNYXSK-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP C[C@@H]([NH3+])CC[N@@H+]1CCCC12CCCC2 306721655 345572411 /nfs/dbraw/zinc/57/24/11/345572411.db2.gz DYTMJYAVXSQLHX-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP C[C@H]([NH3+])CC[N@@H+]1CCCC12CCCC2 306721656 345572626 /nfs/dbraw/zinc/57/26/26/345572626.db2.gz DYTMJYAVXSQLHX-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP C[C@H]([NH2+]C1CCCCCC1)[C@@H](C)[NH3+] 306815851 345632984 /nfs/dbraw/zinc/63/29/84/345632984.db2.gz BCJSPTSGWCIWLA-ZJUUUORDSA-N 2 0 184.327 2.035 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C1CCCCCC1 306815850 345633000 /nfs/dbraw/zinc/63/30/00/345633000.db2.gz BCJSPTSGWCIWLA-VHSXEESVSA-N 2 0 184.327 2.035 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C1CCCCCC1 306815849 345633035 /nfs/dbraw/zinc/63/30/35/345633035.db2.gz BCJSPTSGWCIWLA-UWVGGRQHSA-N 2 0 184.327 2.035 10 0 AEAERP CC(C)[NH2+]C1CC([NH+]2CCCCC2)C1 307196856 345882309 /nfs/dbraw/zinc/88/23/09/345882309.db2.gz UQSYZQQAXFINLC-UHFFFAOYSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 307252175 345923641 /nfs/dbraw/zinc/92/36/41/345923641.db2.gz RPYVYUVYPBIXQZ-RYUDHWBXSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])CC1 307252173 345923661 /nfs/dbraw/zinc/92/36/61/345923661.db2.gz RPYVYUVYPBIXQZ-NEPJUHHUSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 307252174 345923673 /nfs/dbraw/zinc/92/36/73/345923673.db2.gz RPYVYUVYPBIXQZ-NWDGAFQWSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])CC1 307252176 345923713 /nfs/dbraw/zinc/92/37/13/345923713.db2.gz RPYVYUVYPBIXQZ-VXGBXAGGSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)[N@H+]1CCCCC[C@@H]1C[C@@H](C)[NH3+] 307384586 346008490 /nfs/dbraw/zinc/00/84/90/346008490.db2.gz GOIPXIONLBCIHG-VXGBXAGGSA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)[N@H+]1CCCCC[C@@H]1C[C@H](C)[NH3+] 307384584 346008499 /nfs/dbraw/zinc/00/84/99/346008499.db2.gz GOIPXIONLBCIHG-NWDGAFQWSA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)[N@H+]1CCCCC[C@H]1C[C@H](C)[NH3+] 307384585 346008524 /nfs/dbraw/zinc/00/85/24/346008524.db2.gz GOIPXIONLBCIHG-RYUDHWBXSA-N 2 0 198.354 2.377 10 0 AEAERP CC(C)[N@H+]1CCCCC[C@H]1C[C@@H](C)[NH3+] 307384583 346008532 /nfs/dbraw/zinc/00/85/32/346008532.db2.gz GOIPXIONLBCIHG-NEPJUHHUSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](N)[C@H]1C 307399946 346018345 /nfs/dbraw/zinc/01/83/45/346018345.db2.gz YBXQZXSELSEHJD-YFKTTZPYSA-N 2 0 198.354 2.233 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H](N)[C@@H]1C 307399826 346018464 /nfs/dbraw/zinc/01/84/64/346018464.db2.gz YBXQZXSELSEHJD-FIQHERPVSA-N 2 0 198.354 2.233 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H](N)[C@H]1C 307399828 346018528 /nfs/dbraw/zinc/01/85/28/346018528.db2.gz YBXQZXSELSEHJD-NNYUYHANSA-N 2 0 198.354 2.233 10 0 AEAERP CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](N)[C@@H]1C 307399824 346018591 /nfs/dbraw/zinc/01/85/91/346018591.db2.gz YBXQZXSELSEHJD-BJDJZHNGSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H]1CCCCC1(C)C 307459822 346053826 /nfs/dbraw/zinc/05/38/26/346053826.db2.gz CRBQFWLKUWONFV-AXFHLTTASA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCCC1(C)C 307459825 346053883 /nfs/dbraw/zinc/05/38/83/346053883.db2.gz CRBQFWLKUWONFV-DCAQKATOSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCCC1(C)C 307459829 346053894 /nfs/dbraw/zinc/05/38/94/346053894.db2.gz CRBQFWLKUWONFV-GARJFASQSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C 307459833 346053985 /nfs/dbraw/zinc/05/39/85/346053985.db2.gz CRBQFWLKUWONFV-HBNTYKKESA-N 2 0 198.354 2.281 10 0 AEAERP C/C=C\C[NH2+]C1CC[NH+](CCC)CC1 308404044 346298789 /nfs/dbraw/zinc/29/87/89/346298789.db2.gz HGGOOZWZYUMMJV-HYXAFXHYSA-N 2 0 196.338 2.027 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C1CCC2(CC1)CC2 335016076 346374409 /nfs/dbraw/zinc/37/44/09/346374409.db2.gz AGWIMXYQHKEULU-UWVGGRQHSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C1CCC2(CC1)CC2 335016078 346374286 /nfs/dbraw/zinc/37/42/86/346374286.db2.gz AGWIMXYQHKEULU-VHSXEESVSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH2+]C1CCC2(CC1)CC2)[C@@H](C)[NH3+] 335016079 346374762 /nfs/dbraw/zinc/37/47/62/346374762.db2.gz AGWIMXYQHKEULU-ZJUUUORDSA-N 2 0 196.338 2.035 10 0 AEAERP CC1CC([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 335030407 346375352 /nfs/dbraw/zinc/37/53/52/346375352.db2.gz CRPWTDRJAQUXRP-HCWSGVFWSA-N 2 0 196.338 2.035 10 0 AEAERP CC1CC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 335030409 346375488 /nfs/dbraw/zinc/37/54/88/346375488.db2.gz CRPWTDRJAQUXRP-KIDURHIOSA-N 2 0 196.338 2.035 10 0 AEAERP CC1CC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 335030410 346375515 /nfs/dbraw/zinc/37/55/15/346375515.db2.gz CRPWTDRJAQUXRP-MMVSWEMESA-N 2 0 196.338 2.035 10 0 AEAERP C/C=C\C[NH2+]C1CC[NH+](C(C)C)CC1 385059463 346542291 /nfs/dbraw/zinc/54/22/91/346542291.db2.gz UPDWGRCKBKSYDD-PLNGDYQASA-N 2 0 196.338 2.025 10 0 AEAERP C/C=C/C[NH2+]C1CC[NH+](C(C)C)CC1 385059466 346542338 /nfs/dbraw/zinc/54/23/38/346542338.db2.gz UPDWGRCKBKSYDD-SNAWJCMRSA-N 2 0 196.338 2.025 10 0 AEAERP C[NH+](C)CCC1CCC([NH+](C)C)CC1 584657777 346744845 /nfs/dbraw/zinc/74/48/45/346744845.db2.gz IBSCPZDCIXMSGU-UHFFFAOYSA-N 2 0 198.354 2.059 10 0 AEAERP CC[NH+]1CCC(C[NH+](CC)CC)CC1 590785807 346794935 /nfs/dbraw/zinc/79/49/35/346794935.db2.gz KJXKWSMQRFFKBF-UHFFFAOYSA-N 2 0 198.354 2.060 10 0 AEAERP CCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 605150912 346968942 /nfs/dbraw/zinc/96/89/42/346968942.db2.gz BSJITCJGSXJALJ-GFCCVEGCSA-N 2 0 198.354 2.060 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 605150913 346969189 /nfs/dbraw/zinc/96/91/89/346969189.db2.gz BSJITCJGSXJALJ-LBPRGKRZSA-N 2 0 198.354 2.060 10 0 AEAERP CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C 608500903 347008983 /nfs/dbraw/zinc/00/89/83/347008983.db2.gz FWTCAYRSWUDHJL-GFCCVEGCSA-N 2 0 198.354 2.203 10 0 AEAERP CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C 608500904 347009080 /nfs/dbraw/zinc/00/90/80/347009080.db2.gz FWTCAYRSWUDHJL-LBPRGKRZSA-N 2 0 198.354 2.203 10 0 AEAERP CC(C)CC[NH+]1CCC([NH+](C)C)CC1 613418112 347059287 /nfs/dbraw/zinc/05/92/87/347059287.db2.gz JPJLCXMRWMYGOV-UHFFFAOYSA-N 2 0 198.354 2.059 10 0 AEAERP Cc1cc(CC[C@@H]2CCC[NH2+]2)ccn1 616575966 347103238 /nfs/dbraw/zinc/10/32/38/347103238.db2.gz OBPCKPOTPCWMMJ-LBPRGKRZSA-N 2 0 190.290 2.075 10 0 AEAERP Cc1cc(CC[C@H]2CCC[NH2+]2)ccn1 616575950 347103328 /nfs/dbraw/zinc/10/33/28/347103328.db2.gz OBPCKPOTPCWMMJ-GFCCVEGCSA-N 2 0 190.290 2.075 10 0 AEAERP C[NH+](C)[C@@H]1CCC[N@@H+](C(C)(C)C)CC1 616600232 347109134 /nfs/dbraw/zinc/10/91/34/347109134.db2.gz AOKWPXDIOURNGQ-LLVKDONJSA-N 2 0 198.354 2.201 10 0 AEAERP C[NH+](C)[C@H]1CCC[N@@H+](C(C)(C)C)CC1 616626749 347130206 /nfs/dbraw/zinc/13/02/06/347130206.db2.gz AOKWPXDIOURNGQ-NSHDSACASA-N 2 0 198.354 2.201 10 0 AEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC2)CC1(C)C 623409440 347256779 /nfs/dbraw/zinc/25/67/79/347256779.db2.gz BLROQBVINBAPAU-NSHDSACASA-N 2 0 196.338 2.001 10 0 AEAERP C[N@@H+]1CC[C@@H]([NH2+]C2CCC2)CC1(C)C 623409439 347257008 /nfs/dbraw/zinc/25/70/08/347257008.db2.gz BLROQBVINBAPAU-LLVKDONJSA-N 2 0 196.338 2.001 10 0 AEAERP C/C=C\C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 623740178 347262401 /nfs/dbraw/zinc/26/24/01/347262401.db2.gz OHSZSIZHCAFTTI-ISALQUGTSA-N 2 0 196.338 2.025 10 0 AEAERP C/C=C/C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 623740179 347262574 /nfs/dbraw/zinc/26/25/74/347262574.db2.gz OHSZSIZHCAFTTI-MVIFTORASA-N 2 0 196.338 2.025 10 0 AEAERP C/C=C\C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 623740177 347262714 /nfs/dbraw/zinc/26/27/14/347262714.db2.gz OHSZSIZHCAFTTI-GZTOBOFZSA-N 2 0 196.338 2.025 10 0 AEAERP C/C=C/C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 623740180 347262792 /nfs/dbraw/zinc/26/27/92/347262792.db2.gz OHSZSIZHCAFTTI-QRGHLMKCSA-N 2 0 196.338 2.025 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@@H]1CC[NH2+][C@H]1CC 629391055 347341883 /nfs/dbraw/zinc/34/18/83/347341883.db2.gz SZOGXBSDDNBOJQ-GRYCIOLGSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+][C@H]1CC 629390349 347341929 /nfs/dbraw/zinc/34/19/29/347341929.db2.gz PAHBFAZNQZVHJD-GRYCIOLGSA-N 2 0 198.354 2.295 10 0 AEAERP CCC(CC)C[NH2+][C@@H]1CC[NH2+][C@H]1CC 629391005 347341947 /nfs/dbraw/zinc/34/19/47/347341947.db2.gz REDKZFAVOZZNLC-NWDGAFQWSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+][C@H]1CC 629390350 347341953 /nfs/dbraw/zinc/34/19/53/347341953.db2.gz PAHBFAZNQZVHJD-SDDRHHMPSA-N 2 0 198.354 2.295 10 0 AEAERP CCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC 629404812 347341981 /nfs/dbraw/zinc/34/19/81/347341981.db2.gz PCVZWUNDOWHXOD-GRYCIOLGSA-N 2 0 198.354 2.295 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC(C)C 629404053 347342012 /nfs/dbraw/zinc/34/20/12/347342012.db2.gz HZZMZZOOFAPRNH-GRYCIOLGSA-N 2 0 198.354 2.151 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@H]1CC 629391056 347342076 /nfs/dbraw/zinc/34/20/76/347342076.db2.gz SZOGXBSDDNBOJQ-SDDRHHMPSA-N 2 0 198.354 2.153 10 0 AEAERP CCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC 629404813 347342121 /nfs/dbraw/zinc/34/21/21/347342121.db2.gz PCVZWUNDOWHXOD-SDDRHHMPSA-N 2 0 198.354 2.295 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CC(C)C 629404054 347342419 /nfs/dbraw/zinc/34/24/19/347342419.db2.gz HZZMZZOOFAPRNH-SDDRHHMPSA-N 2 0 198.354 2.151 10 0 AEAERP CCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+][C@H]1C 629407096 347342919 /nfs/dbraw/zinc/34/29/19/347342919.db2.gz SZWPFLACLGSLNO-SDDRHHMPSA-N 2 0 198.354 2.295 10 0 AEAERP CC(C)CC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629407022 347343066 /nfs/dbraw/zinc/34/30/66/347343066.db2.gz VKXRAMHVDSBKHV-GRYCIOLGSA-N 2 0 198.354 2.151 10 0 AEAERP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629407023 347343072 /nfs/dbraw/zinc/34/30/72/347343072.db2.gz VKXRAMHVDSBKHV-SDDRHHMPSA-N 2 0 198.354 2.151 10 0 AEAERP CCCC(CCC)[NH2+][C@@H]1CC[NH2+][C@H]1C 629407270 347343134 /nfs/dbraw/zinc/34/31/34/347343134.db2.gz YKVMKIOSFBZROK-CMPLNLGQSA-N 2 0 198.354 2.295 10 0 AEAERP CCCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+][C@H]1C 629406995 347343386 /nfs/dbraw/zinc/34/33/86/347343386.db2.gz SZWPFLACLGSLNO-QJPTWQEYSA-N 2 0 198.354 2.295 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)C(C)(C)C 629526376 347344864 /nfs/dbraw/zinc/34/48/64/347344864.db2.gz RWISIZWNAVXEQX-GARJFASQSA-N 2 0 198.354 2.151 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC 629523925 347345010 /nfs/dbraw/zinc/34/50/10/347345010.db2.gz LYIKOBYFDSGRFL-FIQHERPVSA-N 2 0 198.354 2.151 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)C(C)(C)C 629526377 347345210 /nfs/dbraw/zinc/34/52/10/347345210.db2.gz RWISIZWNAVXEQX-OUAUKWLOSA-N 2 0 198.354 2.151 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC 629523927 347345279 /nfs/dbraw/zinc/34/52/79/347345279.db2.gz LYIKOBYFDSGRFL-WHOHXGKFSA-N 2 0 198.354 2.151 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CC)C(C)C 629523625 347345338 /nfs/dbraw/zinc/34/53/38/347345338.db2.gz IZHCBRTVLPRCRO-GRYCIOLGSA-N 2 0 198.354 2.151 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@H](C)CC 629523926 347345392 /nfs/dbraw/zinc/34/53/92/347345392.db2.gz LYIKOBYFDSGRFL-NOOOWODRSA-N 2 0 198.354 2.151 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@H](C)CC 629523928 347345619 /nfs/dbraw/zinc/34/56/19/347345619.db2.gz LYIKOBYFDSGRFL-WISYIIOYSA-N 2 0 198.354 2.151 10 0 AEAERP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629546390 347347840 /nfs/dbraw/zinc/34/78/40/347347840.db2.gz PHHCRAYNOVEGJV-GARJFASQSA-N 2 0 198.354 2.151 10 0 AEAERP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629546393 347347860 /nfs/dbraw/zinc/34/78/60/347347860.db2.gz PHHCRAYNOVEGJV-HBNTYKKESA-N 2 0 198.354 2.151 10 0 AEAERP CC1(C)CCC(C)(C)[N@H+](CCC[NH3+])C1 629547021 347348057 /nfs/dbraw/zinc/34/80/57/347348057.db2.gz RAGAXULSCRTBNF-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[NH2+][C@H]1C 629604281 347352448 /nfs/dbraw/zinc/35/24/48/347352448.db2.gz JBCTUBSNUUPHRB-GRYCIOLGSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@H]1C 629604282 347352532 /nfs/dbraw/zinc/35/25/32/347352532.db2.gz JBCTUBSNUUPHRB-SDDRHHMPSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H](C)C(C)(C)C 629672833 347354710 /nfs/dbraw/zinc/35/47/10/347354710.db2.gz ZVGNJECZFBPKFU-OUAUKWLOSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H](C)C(C)(C)C 629672832 347354773 /nfs/dbraw/zinc/35/47/73/347354773.db2.gz ZVGNJECZFBPKFU-GARJFASQSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCC(C)C 629654243 347354867 /nfs/dbraw/zinc/35/48/67/347354867.db2.gz OKZPOONVXKVBCE-NWDGAFQWSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCC(C)(C)C 629654849 347355237 /nfs/dbraw/zinc/35/52/37/347355237.db2.gz SLYSYPROISQSFQ-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 634732724 347427560 /nfs/dbraw/zinc/42/75/60/347427560.db2.gz NCIYRYMWUABBBU-LLVKDONJSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 634732725 347427642 /nfs/dbraw/zinc/42/76/42/347427642.db2.gz NCIYRYMWUABBBU-NSHDSACASA-N 2 0 198.354 2.010 10 0 AEAERP CCC(C)(C)CC[NH2+][C@@H](C)C1C[NH2+]C1 635024211 347436937 /nfs/dbraw/zinc/43/69/37/347436937.db2.gz UHYMLSMTZDSOKZ-JTQLQIEISA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 635012893 347436954 /nfs/dbraw/zinc/43/69/54/347436954.db2.gz WPOIMQCAXXPWQX-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP CCC(C)(C)CC[NH2+]C1CC[NH2+]CC1 635018562 347437086 /nfs/dbraw/zinc/43/70/86/347437086.db2.gz FMTGDYVEPJHCPY-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CCC(C)(C)CC[NH2+][C@H](C)C1C[NH2+]C1 635024212 347437179 /nfs/dbraw/zinc/43/71/79/347437179.db2.gz UHYMLSMTZDSOKZ-SNVBAGLBSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 635012894 347437223 /nfs/dbraw/zinc/43/72/23/347437223.db2.gz WPOIMQCAXXPWQX-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 635012892 347437249 /nfs/dbraw/zinc/43/72/49/347437249.db2.gz WPOIMQCAXXPWQX-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 635012895 347437373 /nfs/dbraw/zinc/43/73/73/347437373.db2.gz WPOIMQCAXXPWQX-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CC1([NH3+])CCCCC1 37911192 351476062 /nfs/dbraw/zinc/47/60/62/351476062.db2.gz UCDVNUBIAPRTLS-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 37911094 351476074 /nfs/dbraw/zinc/47/60/74/351476074.db2.gz GHQVDQKNCAECTJ-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]1 42171736 351519443 /nfs/dbraw/zinc/51/94/43/351519443.db2.gz ZBOCIOKZFPCYAP-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP C[C@@H]1CC[N@H+](CC(C)(C)C[NH3+])[C@H](C)C1 51748476 351559522 /nfs/dbraw/zinc/55/95/22/351559522.db2.gz MXKCWCGOIMOZLA-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)C[C@@H]1C[N@@H+](C(C)C)CCC[NH2+]1 62568400 351588720 /nfs/dbraw/zinc/58/87/20/351588720.db2.gz FNQMQGFNLVDEPH-GFCCVEGCSA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[C@H]1C[N@@H+](C(C)C)CCC[NH2+]1 62568401 351588869 /nfs/dbraw/zinc/58/88/69/351588869.db2.gz FNQMQGFNLVDEPH-LBPRGKRZSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 134196248 351738831 /nfs/dbraw/zinc/73/88/31/351738831.db2.gz PLILGVPWAKGRBJ-YFKTTZPYSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@H]([NH3+])[C@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 134196074 351738792 /nfs/dbraw/zinc/73/87/92/351738792.db2.gz PLILGVPWAKGRBJ-WYUUTHIRSA-N 2 0 198.354 2.233 10 0 AEAERP CC(C)C[N@@H+]1CCCC[C@@H]1C(C)(C)N 201169666 351781172 /nfs/dbraw/zinc/78/11/72/351781172.db2.gz NZGYAZPMZVKLDP-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)C[N@@H+]1CCCC[C@H]1C(C)(C)N 201169700 351781182 /nfs/dbraw/zinc/78/11/82/351781182.db2.gz NZGYAZPMZVKLDP-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@]1(C[NH+]2CCCC2)CCCC[NH2+]1 258325823 351861287 /nfs/dbraw/zinc/86/12/87/351861287.db2.gz WMUGWPZOPZKBRV-LBPRGKRZSA-N 2 0 196.338 2.005 10 0 AEAERP CC(C)CC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 258810562 351867544 /nfs/dbraw/zinc/86/75/44/351867544.db2.gz NXCXXYWPDWQLJT-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)CC[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 258810556 351867696 /nfs/dbraw/zinc/86/76/96/351867696.db2.gz NXCXXYWPDWQLJT-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C1CCC([N@H+](C)C(C)(C)C)CC1 259203040 351870893 /nfs/dbraw/zinc/87/08/93/351870893.db2.gz JCHNFKNQSUEJGP-UHFFFAOYSA-N 2 0 198.354 2.247 10 0 AEAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCCCCC1 307152707 351990579 /nfs/dbraw/zinc/99/05/79/351990579.db2.gz AIIXMRFKEVFFOF-CMPLNLGQSA-N 2 0 196.338 2.049 10 0 AEAERP CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 530179238 352186825 /nfs/dbraw/zinc/18/68/25/352186825.db2.gz WKJLEJSASFKHNX-GHMZBOCLSA-N 2 0 196.338 2.049 10 0 AEAERP CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 530179240 352186933 /nfs/dbraw/zinc/18/69/33/352186933.db2.gz WKJLEJSASFKHNX-MNOVXSKESA-N 2 0 196.338 2.049 10 0 AEAERP CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 530179243 352187080 /nfs/dbraw/zinc/18/70/80/352187080.db2.gz WKJLEJSASFKHNX-WDEREUQCSA-N 2 0 196.338 2.049 10 0 AEAERP CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 530179242 352187171 /nfs/dbraw/zinc/18/71/71/352187171.db2.gz WKJLEJSASFKHNX-QWRGUYRKSA-N 2 0 196.338 2.049 10 0 AEAERP Cc1cccc([C@H]([NH3+])CCC[NH3+])c1C 575438939 352203383 /nfs/dbraw/zinc/20/33/83/352203383.db2.gz HGQKSPOZUINPCE-GFCCVEGCSA-N 2 0 192.306 2.042 10 0 AEAERP CC(C)c1cccc([C@H]([NH3+])CC[NH3+])c1 575438247 352203336 /nfs/dbraw/zinc/20/33/36/352203336.db2.gz FYMHRKFZMDYYHV-GFCCVEGCSA-N 2 0 192.306 2.159 10 0 AEAERP Cc1cccc([C@@H]([NH3+])CCCC[NH3+])c1 575438915 352203296 /nfs/dbraw/zinc/20/32/96/352203296.db2.gz OTFIGTAFVFEUEH-LBPRGKRZSA-N 2 0 192.306 2.124 10 0 AEAERP CC(C)c1cccc([C@@H]([NH3+])CC[NH3+])c1 575438087 352203437 /nfs/dbraw/zinc/20/34/37/352203437.db2.gz FYMHRKFZMDYYHV-LBPRGKRZSA-N 2 0 192.306 2.159 10 0 AEAERP Cc1cc(C)cc([C@H]([NH3+])CCC[NH3+])c1 575438769 352203467 /nfs/dbraw/zinc/20/34/67/352203467.db2.gz AEZXEEBPSDLIMT-GFCCVEGCSA-N 2 0 192.306 2.042 10 0 AEAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(Cl)c1 575438803 352203559 /nfs/dbraw/zinc/20/35/59/352203559.db2.gz MVFYXFGMKWSWLO-SNVBAGLBSA-N 2 0 198.697 2.079 10 0 AEAERP Cc1cccc([C@H]([NH3+])CCCC[NH3+])c1 575439047 352203876 /nfs/dbraw/zinc/20/38/76/352203876.db2.gz OTFIGTAFVFEUEH-GFCCVEGCSA-N 2 0 192.306 2.124 10 0 AEAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1 575439243 352203878 /nfs/dbraw/zinc/20/38/78/352203878.db2.gz QHGYUDRFIBJMSN-LBPRGKRZSA-N 2 0 192.306 2.124 10 0 AEAERP Cc1cccc([C@@H]([NH3+])CCC[NH3+])c1C 575439562 352203887 /nfs/dbraw/zinc/20/38/87/352203887.db2.gz HGQKSPOZUINPCE-LBPRGKRZSA-N 2 0 192.306 2.042 10 0 AEAERP Cc1ccccc1[C@@H]([NH3+])CCCC[NH3+] 575439592 352203911 /nfs/dbraw/zinc/20/39/11/352203911.db2.gz UJWFJNVZOLRNPR-LBPRGKRZSA-N 2 0 192.306 2.124 10 0 AEAERP Cc1cccc(C)c1[C@H]([NH3+])CCC[NH3+] 575439976 352203925 /nfs/dbraw/zinc/20/39/25/352203925.db2.gz PXMADXSCSDEFIA-LLVKDONJSA-N 2 0 192.306 2.042 10 0 AEAERP Cc1ccccc1[C@H]([NH3+])CCCC[NH3+] 575439674 352203965 /nfs/dbraw/zinc/20/39/65/352203965.db2.gz UJWFJNVZOLRNPR-GFCCVEGCSA-N 2 0 192.306 2.124 10 0 AEAERP [NH3+]CCC[C@H]([NH3+])c1ccccc1Cl 575439643 352203977 /nfs/dbraw/zinc/20/39/77/352203977.db2.gz SWERIBHMIOYZTA-JTQLQIEISA-N 2 0 198.697 2.079 10 0 AEAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])cc1 575439188 352203986 /nfs/dbraw/zinc/20/39/86/352203986.db2.gz QHGYUDRFIBJMSN-GFCCVEGCSA-N 2 0 192.306 2.124 10 0 AEAERP [NH3+]CCC[C@@H]([NH3+])c1ccccc1Cl 575439641 352203988 /nfs/dbraw/zinc/20/39/88/352203988.db2.gz SWERIBHMIOYZTA-SNVBAGLBSA-N 2 0 198.697 2.079 10 0 AEAERP Cc1cc(C)cc([C@@H]([NH3+])CCC[NH3+])c1 575439480 352204159 /nfs/dbraw/zinc/20/41/59/352204159.db2.gz AEZXEEBPSDLIMT-LBPRGKRZSA-N 2 0 192.306 2.042 10 0 AEAERP [NH3+]CCC[C@H]([NH3+])c1cccc(Cl)c1 575440188 352204871 /nfs/dbraw/zinc/20/48/71/352204871.db2.gz MVFYXFGMKWSWLO-JTQLQIEISA-N 2 0 198.697 2.079 10 0 AEAERP Cc1cccc(C)c1[C@@H]([NH3+])CCC[NH3+] 575440363 352204895 /nfs/dbraw/zinc/20/48/95/352204895.db2.gz PXMADXSCSDEFIA-NSHDSACASA-N 2 0 192.306 2.042 10 0 AEAERP CCC(C)(C)CC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 643074094 352936590 /nfs/dbraw/zinc/93/65/90/352936590.db2.gz PZORCSZOTXCMAV-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)CC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 643074093 352936722 /nfs/dbraw/zinc/93/67/22/352936722.db2.gz PZORCSZOTXCMAV-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)CC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 643074092 352936771 /nfs/dbraw/zinc/93/67/71/352936771.db2.gz PZORCSZOTXCMAV-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)CC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 643074091 352936887 /nfs/dbraw/zinc/93/68/87/352936887.db2.gz PZORCSZOTXCMAV-GHMZBOCLSA-N 2 0 198.354 2.092 10 0 AEAERP CCC(C)(C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 643075357 352936908 /nfs/dbraw/zinc/93/69/08/352936908.db2.gz DGDGFDNGVNHUOZ-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 643451681 352951718 /nfs/dbraw/zinc/95/17/18/352951718.db2.gz IJBKIIVGAXCRIV-RHYQMDGZSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1CCC[NH2+]C1 643451709 352951728 /nfs/dbraw/zinc/95/17/28/352951728.db2.gz OODLMYWZMVMUFW-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 643451680 352951777 /nfs/dbraw/zinc/95/17/77/352951777.db2.gz IJBKIIVGAXCRIV-NOOOWODRSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH2+]CC(C)(C)C)[C@H]1CCC[NH2+]C1 643451711 352951798 /nfs/dbraw/zinc/95/17/98/352951798.db2.gz OODLMYWZMVMUFW-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 643451660 352951821 /nfs/dbraw/zinc/95/18/21/352951821.db2.gz FYFHRZFFLUXRPX-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP CCCCC[NH+]1CCC2(CC[NH2+]2)CC1 643440962 352951874 /nfs/dbraw/zinc/95/18/74/352951874.db2.gz SGIYKIYRCFTNID-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP C[C@H]([NH2+]CC(C)(C)C)[C@@H]1CCC[NH2+]C1 643451712 352951897 /nfs/dbraw/zinc/95/18/97/352951897.db2.gz OODLMYWZMVMUFW-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]([NH2+]CC(C)(C)C)[C@H]1CCC[NH2+]C1 643451710 352951921 /nfs/dbraw/zinc/95/19/21/352951921.db2.gz OODLMYWZMVMUFW-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 643451679 352951951 /nfs/dbraw/zinc/95/19/51/352951951.db2.gz IJBKIIVGAXCRIV-KXNHARMFSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 643451682 352951964 /nfs/dbraw/zinc/95/19/64/352951964.db2.gz IJBKIIVGAXCRIV-WRWGMCAJSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)C1CCCC1 643454030 352952732 /nfs/dbraw/zinc/95/27/32/352952732.db2.gz BSYVIACEAJTUTF-AXFHLTTASA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)C1CCCC1 643454033 352952756 /nfs/dbraw/zinc/95/27/56/352952756.db2.gz BSYVIACEAJTUTF-HBNTYKKESA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C)C1CCCC1 643454032 352952768 /nfs/dbraw/zinc/95/27/68/352952768.db2.gz BSYVIACEAJTUTF-GARJFASQSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C1CCCC1 643454031 352952907 /nfs/dbraw/zinc/95/29/07/352952907.db2.gz BSYVIACEAJTUTF-DCAQKATOSA-N 2 0 198.354 2.281 10 0 AEAERP CCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643455676 352954152 /nfs/dbraw/zinc/95/41/52/352954152.db2.gz ZAKORNSMEPFKMS-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 643455674 352954168 /nfs/dbraw/zinc/95/41/68/352954168.db2.gz ZAKORNSMEPFKMS-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 643455675 352954860 /nfs/dbraw/zinc/95/48/60/352954860.db2.gz ZAKORNSMEPFKMS-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643455673 352954926 /nfs/dbraw/zinc/95/49/26/352954926.db2.gz ZAKORNSMEPFKMS-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 643456997 352955229 /nfs/dbraw/zinc/95/52/29/352955229.db2.gz YBBTZBGDXOEJPB-UNXYVOJBSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCC1CCCC1 643458453 352955339 /nfs/dbraw/zinc/95/53/39/352955339.db2.gz CTSGTPMVRKSQDG-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC1CCCC1 643458452 352955408 /nfs/dbraw/zinc/95/54/08/352955408.db2.gz CTSGTPMVRKSQDG-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643456899 352955510 /nfs/dbraw/zinc/95/55/10/352955510.db2.gz MBAISWHKUPPDIV-TUAOUCFPSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCC1CCCC1 643458451 352955571 /nfs/dbraw/zinc/95/55/71/352955571.db2.gz CTSGTPMVRKSQDG-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 643456998 352955712 /nfs/dbraw/zinc/95/57/12/352955712.db2.gz YBBTZBGDXOEJPB-VOMCLLRMSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643456898 352955757 /nfs/dbraw/zinc/95/57/57/352955757.db2.gz MBAISWHKUPPDIV-SRVKXCTJSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC1CCCC1 643458450 352955764 /nfs/dbraw/zinc/95/57/64/352955764.db2.gz CTSGTPMVRKSQDG-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643456897 352955817 /nfs/dbraw/zinc/95/58/17/352955817.db2.gz MBAISWHKUPPDIV-SDDRHHMPSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[C@@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643456896 352955832 /nfs/dbraw/zinc/95/58/32/352955832.db2.gz MBAISWHKUPPDIV-QJPTWQEYSA-N 2 0 198.354 2.009 10 0 AEAERP CCCC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 643467000 352956940 /nfs/dbraw/zinc/95/69/40/352956940.db2.gz HCPMIPZZTNHIDW-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CCCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 643467001 352957352 /nfs/dbraw/zinc/95/73/52/352957352.db2.gz HCPMIPZZTNHIDW-QWRGUYRKSA-N 2 0 196.338 2.036 10 0 AEAERP CCCC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 643467002 352957408 /nfs/dbraw/zinc/95/74/08/352957408.db2.gz HCPMIPZZTNHIDW-WDEREUQCSA-N 2 0 196.338 2.036 10 0 AEAERP CCCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 643466999 352957515 /nfs/dbraw/zinc/95/75/15/352957515.db2.gz HCPMIPZZTNHIDW-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 643469013 352957839 /nfs/dbraw/zinc/95/78/39/352957839.db2.gz ANZSDSQCCUWSMU-BJDJZHNGSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 643469016 352957875 /nfs/dbraw/zinc/95/78/75/352957875.db2.gz ANZSDSQCCUWSMU-KKOKHZNYSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 643469015 352958165 /nfs/dbraw/zinc/95/81/65/352958165.db2.gz ANZSDSQCCUWSMU-FIQHERPVSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 643469014 352958246 /nfs/dbraw/zinc/95/82/46/352958246.db2.gz ANZSDSQCCUWSMU-DDHJBXDOSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)C1CC([NH2+][C@H](C)CCC[NH3+])C1 643485036 352962515 /nfs/dbraw/zinc/96/25/15/352962515.db2.gz AECPUXYTHSWNQU-VOMCLLRMSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC12CCCC2 643485332 352962611 /nfs/dbraw/zinc/96/26/11/352962611.db2.gz QFTCPTSDDIGFEY-DCAQKATOSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC12CCCC2 643485333 352962717 /nfs/dbraw/zinc/96/27/17/352962717.db2.gz QFTCPTSDDIGFEY-GARJFASQSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CC12CCCC2 643485334 352962725 /nfs/dbraw/zinc/96/27/25/352962725.db2.gz QFTCPTSDDIGFEY-HBNTYKKESA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)C1CC([NH2+][C@@H](C)CCC[NH3+])C1 643485035 352962747 /nfs/dbraw/zinc/96/27/47/352962747.db2.gz AECPUXYTHSWNQU-UNXYVOJBSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CC12CCCC2 643485331 352962857 /nfs/dbraw/zinc/96/28/57/352962857.db2.gz QFTCPTSDDIGFEY-AXFHLTTASA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643488970 352963379 /nfs/dbraw/zinc/96/33/79/352963379.db2.gz BOKABLIRIPSKFI-RHYQMDGZSA-N 2 0 196.338 2.035 10 0 AEAERP CC1(CC[NH2+]C2CCC([NH3+])CC2)CC1 643486522 352963605 /nfs/dbraw/zinc/96/36/05/352963605.db2.gz WPFMXARYIQMQAP-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643488963 352963637 /nfs/dbraw/zinc/96/36/37/352963637.db2.gz BOKABLIRIPSKFI-NOOOWODRSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643488971 352963673 /nfs/dbraw/zinc/96/36/73/352963673.db2.gz BOKABLIRIPSKFI-WISYIIOYSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643488973 352963684 /nfs/dbraw/zinc/96/36/84/352963684.db2.gz BOKABLIRIPSKFI-WYUUTHIRSA-N 2 0 196.338 2.035 10 0 AEAERP CC/C=C/C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643492367 352966110 /nfs/dbraw/zinc/96/61/10/352966110.db2.gz FYQBHODZFSHODE-AKCLXAHESA-N 2 0 196.338 2.202 10 0 AEAERP CC/C=C\C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643492366 352966122 /nfs/dbraw/zinc/96/61/22/352966122.db2.gz FYQBHODZFSHODE-ACYZNUEOSA-N 2 0 196.338 2.202 10 0 AEAERP CC/C=C\C[NH2+]C1CCC(C[NH3+])CC1 643492356 352966205 /nfs/dbraw/zinc/96/62/05/352966205.db2.gz CVEXNISPWYALDC-ARJAWSKDSA-N 2 0 196.338 2.060 10 0 AEAERP CC/C=C\C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643492369 352966226 /nfs/dbraw/zinc/96/62/26/352966226.db2.gz FYQBHODZFSHODE-MOKYYMMQSA-N 2 0 196.338 2.202 10 0 AEAERP CC/C=C/C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643492368 352966281 /nfs/dbraw/zinc/96/62/81/352966281.db2.gz FYQBHODZFSHODE-BKZLJMBUSA-N 2 0 196.338 2.202 10 0 AEAERP CC/C=C/C[NH2+]C1CCC(C[NH3+])CC1 643492357 352966478 /nfs/dbraw/zinc/96/64/78/352966478.db2.gz CVEXNISPWYALDC-ONEGZZNKSA-N 2 0 196.338 2.060 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+][C@@H](C)C1CCCC1 643493552 352966944 /nfs/dbraw/zinc/96/69/44/352966944.db2.gz BSYVIACEAJTUTF-VWYCJHECSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)C1CCCC1 643493400 352966950 /nfs/dbraw/zinc/96/69/50/352966950.db2.gz BSYVIACEAJTUTF-GMTAPVOTSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1CCCC1 643493551 352967255 /nfs/dbraw/zinc/96/72/55/352967255.db2.gz BSYVIACEAJTUTF-MXWKQRLJSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+][C@H](C)C1CCCC1 643493401 352967458 /nfs/dbraw/zinc/96/74/58/352967458.db2.gz BSYVIACEAJTUTF-OUAUKWLOSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH2+]CCC[NH3+])[C@H]1CCCC[C@H]1C 643496795 352970016 /nfs/dbraw/zinc/97/00/16/352970016.db2.gz KFZWLCGLNRUGMA-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC[NH3+] 643496735 352970020 /nfs/dbraw/zinc/97/00/20/352970020.db2.gz SHYGVWUKXLEBOI-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H](C)[C@H](CC)[NH2+]CCC[NH3+] 643496712 352970069 /nfs/dbraw/zinc/97/00/69/352970069.db2.gz NZAOJWOUVYVIDH-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H](C)[C@H](CC)[NH2+]CCC[NH3+] 643496711 352970113 /nfs/dbraw/zinc/97/01/13/352970113.db2.gz NZAOJWOUVYVIDH-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H](C)[C@@H](CC)[NH2+]CCC[NH3+] 643496710 352970122 /nfs/dbraw/zinc/97/01/22/352970122.db2.gz NZAOJWOUVYVIDH-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)=CCC[C@H](C)[NH2+]CCC[NH3+] 643496682 352970134 /nfs/dbraw/zinc/97/01/34/352970134.db2.gz WZBXJBKTPXOCPN-NSHDSACASA-N 2 0 184.327 2.060 10 0 AEAERP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC[NH3+] 643496733 352970139 /nfs/dbraw/zinc/97/01/39/352970139.db2.gz SHYGVWUKXLEBOI-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[NH3+] 643496713 352970146 /nfs/dbraw/zinc/97/01/46/352970146.db2.gz NZAOJWOUVYVIDH-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCC[NH3+] 643496757 352970199 /nfs/dbraw/zinc/97/01/99/352970199.db2.gz BTXVXCVSGFVGSH-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1CCCC[C@H]1[C@@H](C)[NH2+]CCC[NH3+] 643496793 352970206 /nfs/dbraw/zinc/97/02/06/352970206.db2.gz KFZWLCGLNRUGMA-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@@H](C)[C@@H](C)[NH2+]CCC[NH3+] 643496827 352970212 /nfs/dbraw/zinc/97/02/12/352970212.db2.gz YDVLOIXWJCUKFF-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC[NH3+] 643496736 352970233 /nfs/dbraw/zinc/97/02/33/352970233.db2.gz SHYGVWUKXLEBOI-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCC[NH3+] 643496734 352970246 /nfs/dbraw/zinc/97/02/46/352970246.db2.gz SHYGVWUKXLEBOI-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[NH3+] 643496756 352970296 /nfs/dbraw/zinc/97/02/96/352970296.db2.gz BTXVXCVSGFVGSH-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)=CCC[C@@H](C)[NH2+]CCC[NH3+] 643496681 352970334 /nfs/dbraw/zinc/97/03/34/352970334.db2.gz WZBXJBKTPXOCPN-LLVKDONJSA-N 2 0 184.327 2.060 10 0 AEAERP C[C@@H]1CCCC[C@@H]1[C@@H](C)[NH2+]CCC[NH3+] 643496794 352970465 /nfs/dbraw/zinc/97/04/65/352970465.db2.gz KFZWLCGLNRUGMA-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[NH3+] 643496759 352970477 /nfs/dbraw/zinc/97/04/77/352970477.db2.gz BTXVXCVSGFVGSH-UTUOFQBUSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC[NH3+] 643496758 352970527 /nfs/dbraw/zinc/97/05/27/352970527.db2.gz BTXVXCVSGFVGSH-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@@H](C)[C@H](C)[NH2+]CCC[NH3+] 643496828 352971248 /nfs/dbraw/zinc/97/12/48/352971248.db2.gz YDVLOIXWJCUKFF-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP C[NH2+]CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C 643498565 352971904 /nfs/dbraw/zinc/97/19/04/352971904.db2.gz CCIOXVHWJGTXFF-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643498567 352972027 /nfs/dbraw/zinc/97/20/27/352972027.db2.gz CCIOXVHWJGTXFF-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 643498569 352972056 /nfs/dbraw/zinc/97/20/56/352972056.db2.gz CGSADMHIMGTENW-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CC[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 643498568 352972071 /nfs/dbraw/zinc/97/20/71/352972071.db2.gz CGSADMHIMGTENW-LLVKDONJSA-N 2 0 198.354 2.426 10 0 AEAERP CC[NH2+]CCC[NH2+][C@H](C)[C@H]1CC1(C)C 643499218 352973877 /nfs/dbraw/zinc/97/38/77/352973877.db2.gz JOLRCRFYNSGXDJ-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CC1(C)C 643499220 352973926 /nfs/dbraw/zinc/97/39/26/352973926.db2.gz JOLRCRFYNSGXDJ-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+]CCC[NH2+][C@H](C)[C@@H]1CC1(C)C 643499219 352974165 /nfs/dbraw/zinc/97/41/65/352974165.db2.gz JOLRCRFYNSGXDJ-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+]CCC[NH2+][C@@H](C)[C@H]1CC1(C)C 643499221 352974170 /nfs/dbraw/zinc/97/41/70/352974170.db2.gz JOLRCRFYNSGXDJ-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+]CCC[NH2+]C1CC(C(C)C)C1 643499289 352974273 /nfs/dbraw/zinc/97/42/73/352974273.db2.gz WHBUVHORUMEHGZ-UHFFFAOYSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCC12CCCC2 643504271 352974666 /nfs/dbraw/zinc/97/46/66/352974666.db2.gz DEKYDJFMBWACFO-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+]C1CCC2(CC1)CC2 643504344 352974722 /nfs/dbraw/zinc/97/47/22/352974722.db2.gz PUHDKHQIHKMNQP-SNVBAGLBSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@H]([NH3+])CC[NH2+][C@H]1CCC12CCCC2 643504272 352975243 /nfs/dbraw/zinc/97/52/43/352975243.db2.gz DEKYDJFMBWACFO-MNOVXSKESA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@H]1C[C@H]1C 643508536 352980541 /nfs/dbraw/zinc/98/05/41/352980541.db2.gz ZWPWLOURSBRYCE-UTUOFQBUSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643508534 352980733 /nfs/dbraw/zinc/98/07/33/352980733.db2.gz ZWPWLOURSBRYCE-QJPTWQEYSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C 643508535 352981074 /nfs/dbraw/zinc/98/10/74/352981074.db2.gz ZWPWLOURSBRYCE-TUAOUCFPSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C 643508533 352981160 /nfs/dbraw/zinc/98/11/60/352981160.db2.gz ZWPWLOURSBRYCE-IJLUTSLNSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643513474 352984260 /nfs/dbraw/zinc/98/42/60/352984260.db2.gz YLPDVQAJAXKFRM-VHSXEESVSA-N 2 0 198.354 2.138 10 0 AEAERP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H]1C[C@@H]1C 643513930 352984408 /nfs/dbraw/zinc/98/44/08/352984408.db2.gz PDUNUFDTVBVUGI-AXFHLTTASA-N 2 0 198.354 2.138 10 0 AEAERP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643513932 352984461 /nfs/dbraw/zinc/98/44/61/352984461.db2.gz PDUNUFDTVBVUGI-HBNTYKKESA-N 2 0 198.354 2.138 10 0 AEAERP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H]1C[C@H]1C 643513933 352984586 /nfs/dbraw/zinc/98/45/86/352984586.db2.gz PDUNUFDTVBVUGI-MXWKQRLJSA-N 2 0 198.354 2.138 10 0 AEAERP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H]1C[C@H]1C 643513931 352984807 /nfs/dbraw/zinc/98/48/07/352984807.db2.gz PDUNUFDTVBVUGI-GMTAPVOTSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643513472 352984870 /nfs/dbraw/zinc/98/48/70/352984870.db2.gz YLPDVQAJAXKFRM-NXEZZACHSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)([NH3+])C[NH2+][C@H]1CC[C@H]1C(C)(C)C 643513475 352984884 /nfs/dbraw/zinc/98/48/84/352984884.db2.gz YLPDVQAJAXKFRM-ZJUUUORDSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)([NH3+])C[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643513473 352984894 /nfs/dbraw/zinc/98/48/94/352984894.db2.gz YLPDVQAJAXKFRM-UWVGGRQHSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[NH2+]CC[NH2+][C@H](C)[C@@H]1CC1(C)C 643515209 352986639 /nfs/dbraw/zinc/98/66/39/352986639.db2.gz GBQKPOBGNJWZGP-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CCC[NH2+]CC[NH2+][C@H](C)[C@H]1CC1(C)C 643515208 352986700 /nfs/dbraw/zinc/98/67/00/352986700.db2.gz GBQKPOBGNJWZGP-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[NH2+]CC[NH2+][C@@H](C)[C@H]1CC1(C)C 643515211 352986858 /nfs/dbraw/zinc/98/68/58/352986858.db2.gz GBQKPOBGNJWZGP-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[NH2+]CC[NH2+][C@@H](C)[C@@H]1CC1(C)C 643515210 352986902 /nfs/dbraw/zinc/98/69/02/352986902.db2.gz GBQKPOBGNJWZGP-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H](CCC(C)(C)C)[NH2+]CC1C[NH2+]C1 643516596 352988158 /nfs/dbraw/zinc/98/81/58/352988158.db2.gz XFNQBIKTQDHGDQ-SNVBAGLBSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H](CCC(C)(C)C)[NH2+]CC1C[NH2+]C1 643516595 352988178 /nfs/dbraw/zinc/98/81/78/352988178.db2.gz XFNQBIKTQDHGDQ-JTQLQIEISA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C(C)C 643521163 352991691 /nfs/dbraw/zinc/99/16/91/352991691.db2.gz MMIVCVSPTVTIKI-NEPJUHHUSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C(C)C 643521164 352991820 /nfs/dbraw/zinc/99/18/20/352991820.db2.gz MMIVCVSPTVTIKI-VXGBXAGGSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]([NH3+])C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 643525882 352992428 /nfs/dbraw/zinc/99/24/28/352992428.db2.gz GQRZSVQLWDWHBM-DCAQKATOSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 643525883 352992577 /nfs/dbraw/zinc/99/25/77/352992577.db2.gz GQRZSVQLWDWHBM-GARJFASQSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 643525884 352992964 /nfs/dbraw/zinc/99/29/64/352992964.db2.gz GQRZSVQLWDWHBM-OUAUKWLOSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 643525885 352993225 /nfs/dbraw/zinc/99/32/25/352993225.db2.gz GQRZSVQLWDWHBM-VWYCJHECSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](C)[NH3+] 643527893 352994500 /nfs/dbraw/zinc/99/45/00/352994500.db2.gz URWJFDNXLFOUKM-ZJUUUORDSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@H]([NH3+])C[NH2+][C@H](C)CCC(C)(C)C 643527892 352994506 /nfs/dbraw/zinc/99/45/06/352994506.db2.gz URWJFDNXLFOUKM-VHSXEESVSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@@H]([NH3+])C[NH2+][C@H](C)CCC(C)(C)C 643527890 352994547 /nfs/dbraw/zinc/99/45/47/352994547.db2.gz URWJFDNXLFOUKM-NXEZZACHSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@H]([NH3+])C[NH2+][C@@H](C)CCC(C)(C)C 643527891 352994575 /nfs/dbraw/zinc/99/45/75/352994575.db2.gz URWJFDNXLFOUKM-UWVGGRQHSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@@H]([NH3+])C[NH2+][C@H](C)C1CCCCCC1 643527646 352994715 /nfs/dbraw/zinc/99/47/15/352994715.db2.gz QDBQLQPDMIGSKM-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])C[NH2+][C@@H](C)C1CCCCCC1 643527648 352994750 /nfs/dbraw/zinc/99/47/50/352994750.db2.gz QDBQLQPDMIGSKM-QWRGUYRKSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH2+]C[C@@H](C)[NH3+])C1CCCCCC1 643527647 352994839 /nfs/dbraw/zinc/99/48/39/352994839.db2.gz QDBQLQPDMIGSKM-MNOVXSKESA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]([NH3+])C[NH2+][C@H](C)C1CCCCCC1 643527649 352994950 /nfs/dbraw/zinc/99/49/50/352994950.db2.gz QDBQLQPDMIGSKM-WDEREUQCSA-N 2 0 198.354 2.282 10 0 AEAERP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H]1CC1(C)C 643529990 352997338 /nfs/dbraw/zinc/99/73/38/352997338.db2.gz UWRIRWFWNLUKFI-OUAUKWLOSA-N 2 0 198.354 2.009 10 0 AEAERP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H]1CC1(C)C 643529989 352997792 /nfs/dbraw/zinc/99/77/92/352997792.db2.gz UWRIRWFWNLUKFI-MXWKQRLJSA-N 2 0 198.354 2.009 10 0 AEAERP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H]1CC1(C)C 643529991 352997826 /nfs/dbraw/zinc/99/78/26/352997826.db2.gz UWRIRWFWNLUKFI-VWYCJHECSA-N 2 0 198.354 2.009 10 0 AEAERP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H]1CC1(C)C 643529988 352997878 /nfs/dbraw/zinc/99/78/78/352997878.db2.gz UWRIRWFWNLUKFI-GMTAPVOTSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 643533424 353000127 /nfs/dbraw/zinc/00/01/27/353000127.db2.gz UCRJEGNSGFCRQJ-QCNOEVLYSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]1C[C@H]1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 643533422 353000232 /nfs/dbraw/zinc/00/02/32/353000232.db2.gz UCRJEGNSGFCRQJ-IRCOFANPSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1C[C@H]1C 643533423 353000287 /nfs/dbraw/zinc/00/02/87/353000287.db2.gz UCRJEGNSGFCRQJ-KKOKHZNYSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1C 643533421 353000358 /nfs/dbraw/zinc/00/03/58/353000358.db2.gz UCRJEGNSGFCRQJ-DDHJBXDOSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C 643539845 353000694 /nfs/dbraw/zinc/00/06/94/353000694.db2.gz CFXOOHFHKLERON-ZNSHCXBVSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643539842 353000716 /nfs/dbraw/zinc/00/07/16/353000716.db2.gz CFXOOHFHKLERON-KZZRWZIVSA-N 2 0 198.354 2.136 10 0 AEAERP CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 643539780 353000828 /nfs/dbraw/zinc/00/08/28/353000828.db2.gz IITYRSIUTPPECF-QJPTWQEYSA-N 2 0 198.354 2.447 10 0 AEAERP CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] 643539782 353000877 /nfs/dbraw/zinc/00/08/77/353000877.db2.gz IITYRSIUTPPECF-SRVKXCTJSA-N 2 0 198.354 2.447 10 0 AEAERP CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 643539783 353000831 /nfs/dbraw/zinc/00/08/31/353000831.db2.gz IITYRSIUTPPECF-TUAOUCFPSA-N 2 0 198.354 2.447 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643539844 353000926 /nfs/dbraw/zinc/00/09/26/353000926.db2.gz CFXOOHFHKLERON-RNWYCLNJSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1CCC[C@H](C)C1[NH2+][C@@H](C)[C@H](C)[NH3+] 643539843 353000944 /nfs/dbraw/zinc/00/09/44/353000944.db2.gz CFXOOHFHKLERON-NAKRPEOUSA-N 2 0 198.354 2.136 10 0 AEAERP CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] 643539781 353000962 /nfs/dbraw/zinc/00/09/62/353000962.db2.gz IITYRSIUTPPECF-SDDRHHMPSA-N 2 0 198.354 2.447 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 643540151 353001339 /nfs/dbraw/zinc/00/13/39/353001339.db2.gz RVKKVJGHRQHYER-YBXAARCKSA-N 2 0 198.354 2.136 10 0 AEAERP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H](C)[NH3+] 643539914 353001386 /nfs/dbraw/zinc/00/13/86/353001386.db2.gz TYYUBSPAFZHCJJ-USZNOCQGSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 643540150 353001409 /nfs/dbraw/zinc/00/14/09/353001409.db2.gz RVKKVJGHRQHYER-WTPMCQDGSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC12CCC2 643540162 353001426 /nfs/dbraw/zinc/00/14/26/353001426.db2.gz SNTHFHFPKPUPSQ-GARJFASQSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H]1CCCC12CCC2 643540160 353001458 /nfs/dbraw/zinc/00/14/58/353001458.db2.gz SNTHFHFPKPUPSQ-AXFHLTTASA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCC12CCC2 643540161 353001486 /nfs/dbraw/zinc/00/14/86/353001486.db2.gz SNTHFHFPKPUPSQ-DCAQKATOSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C 643540096 353001509 /nfs/dbraw/zinc/00/15/09/353001509.db2.gz JAOPQRBEVFTHRS-NAKRPEOUSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H]1CCC12CCCC2 643540066 353001529 /nfs/dbraw/zinc/00/15/29/353001529.db2.gz DKVWXQDPWIANKZ-AXFHLTTASA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC12CCCC2 643540068 353001537 /nfs/dbraw/zinc/00/15/37/353001537.db2.gz DKVWXQDPWIANKZ-GARJFASQSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 643540099 353001540 /nfs/dbraw/zinc/00/15/40/353001540.db2.gz JAOPQRBEVFTHRS-XWLWVQCSSA-N 2 0 198.354 2.136 10 0 AEAERP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H](C)[NH3+] 643539913 353001543 /nfs/dbraw/zinc/00/15/43/353001543.db2.gz TYYUBSPAFZHCJJ-RHYQMDGZSA-N 2 0 198.354 2.136 10 0 AEAERP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] 643540080 353001547 /nfs/dbraw/zinc/00/15/47/353001547.db2.gz GXOBRMQCOIGJGA-GUBZILKMSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643540065 353001557 /nfs/dbraw/zinc/00/15/57/353001557.db2.gz CPHDNZIARJEPIN-XWLWVQCSSA-N 2 0 198.354 2.136 10 0 AEAERP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H](C)[NH3+] 643539915 353001560 /nfs/dbraw/zinc/00/15/60/353001560.db2.gz TYYUBSPAFZHCJJ-WYUUTHIRSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C 643540098 353001566 /nfs/dbraw/zinc/00/15/66/353001566.db2.gz JAOPQRBEVFTHRS-VPOLOUISSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643540064 353001580 /nfs/dbraw/zinc/00/15/80/353001580.db2.gz CPHDNZIARJEPIN-UKKRHICBSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)(C)C 643540062 353001587 /nfs/dbraw/zinc/00/15/87/353001587.db2.gz CPHDNZIARJEPIN-MMWGEVLESA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)[C@@H](C)[NH3+] 643540148 353001637 /nfs/dbraw/zinc/00/16/37/353001637.db2.gz RVKKVJGHRQHYER-CSYMLDBXSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643540063 353001643 /nfs/dbraw/zinc/00/16/43/353001643.db2.gz CPHDNZIARJEPIN-NAKRPEOUSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C 643540097 353001669 /nfs/dbraw/zinc/00/16/69/353001669.db2.gz JAOPQRBEVFTHRS-RCWTZXSCSA-N 2 0 198.354 2.136 10 0 AEAERP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H](C)[NH3+] 643539912 353001677 /nfs/dbraw/zinc/00/16/77/353001677.db2.gz TYYUBSPAFZHCJJ-BJDJZHNGSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)[C@@H](C)[NH3+] 643540149 353001706 /nfs/dbraw/zinc/00/17/06/353001706.db2.gz RVKKVJGHRQHYER-IYKVGLELSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC12CCCC2 643540067 353001714 /nfs/dbraw/zinc/00/17/14/353001714.db2.gz DKVWXQDPWIANKZ-DCAQKATOSA-N 2 0 196.338 2.035 10 0 AEAERP CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] 643540078 353001724 /nfs/dbraw/zinc/00/17/24/353001724.db2.gz GXOBRMQCOIGJGA-AEJSXWLSSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1CCCC12CCC2 643540163 353001733 /nfs/dbraw/zinc/00/17/33/353001733.db2.gz SNTHFHFPKPUPSQ-HBNTYKKESA-N 2 0 196.338 2.035 10 0 AEAERP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 643540081 353001738 /nfs/dbraw/zinc/00/17/38/353001738.db2.gz GXOBRMQCOIGJGA-UTLUCORTSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 643540069 353001774 /nfs/dbraw/zinc/00/17/74/353001774.db2.gz DKVWXQDPWIANKZ-HBNTYKKESA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643540736 353003139 /nfs/dbraw/zinc/00/31/39/353003139.db2.gz HCRKBQYKCABLIQ-HBNTYKKESA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643540735 353003387 /nfs/dbraw/zinc/00/33/87/353003387.db2.gz HCRKBQYKCABLIQ-GARJFASQSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643540734 353003464 /nfs/dbraw/zinc/00/34/64/353003464.db2.gz HCRKBQYKCABLIQ-DCAQKATOSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 319471884 371786429 /nfs/dbraw/zinc/78/64/29/371786429.db2.gz DGELETFQFWMKEI-TUAOUCFPSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 319471882 371786476 /nfs/dbraw/zinc/78/64/76/371786476.db2.gz DGELETFQFWMKEI-SRVKXCTJSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 319471879 371786667 /nfs/dbraw/zinc/78/66/67/371786667.db2.gz DGELETFQFWMKEI-QJPTWQEYSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 319471880 371787688 /nfs/dbraw/zinc/78/76/88/371787688.db2.gz DGELETFQFWMKEI-SDDRHHMPSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] 643973497 371871961 /nfs/dbraw/zinc/87/19/61/371871961.db2.gz FBZXBEICJWDGHK-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] 643973496 371872207 /nfs/dbraw/zinc/87/22/07/371872207.db2.gz FBZXBEICJWDGHK-IJLUTSLNSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1CCC1 324855185 375480036 /nfs/dbraw/zinc/48/00/36/375480036.db2.gz ZDDRKIRAOTZLGL-UMNHJUIQSA-N 2 0 198.354 2.281 10 0 AEAERP CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1CCC1 324855180 375480306 /nfs/dbraw/zinc/48/03/06/375480306.db2.gz ZDDRKIRAOTZLGL-FOGDFJRCSA-N 2 0 198.354 2.281 10 0 AEAERP CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1CCC1 324855182 375480740 /nfs/dbraw/zinc/48/07/40/375480740.db2.gz ZDDRKIRAOTZLGL-NHCYSSNCSA-N 2 0 198.354 2.281 10 0 AEAERP CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1CCC1 324855183 375480874 /nfs/dbraw/zinc/48/08/74/375480874.db2.gz ZDDRKIRAOTZLGL-SCVCMEIPSA-N 2 0 198.354 2.281 10 0 AEAERP CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400326881 375502983 /nfs/dbraw/zinc/50/29/83/375502983.db2.gz BROGSJIOVNPZED-UTUOFQBUSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400326879 375503076 /nfs/dbraw/zinc/50/30/76/375503076.db2.gz BROGSJIOVNPZED-SRVKXCTJSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(C)C 400326443 375503081 /nfs/dbraw/zinc/50/30/81/375503081.db2.gz BMQVYEMYJTXKNG-SRVKXCTJSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)C(C)C 400326449 375503215 /nfs/dbraw/zinc/50/32/15/375503215.db2.gz BMQVYEMYJTXKNG-WOPDTQHZSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C 400326445 375503294 /nfs/dbraw/zinc/50/32/94/375503294.db2.gz BMQVYEMYJTXKNG-TUAOUCFPSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(C)C 400326447 375503375 /nfs/dbraw/zinc/50/33/75/375503375.db2.gz BMQVYEMYJTXKNG-UTUOFQBUSA-N 2 0 198.354 2.009 10 0 AEAERP CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400326880 375503419 /nfs/dbraw/zinc/50/34/19/375503419.db2.gz BROGSJIOVNPZED-TUAOUCFPSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400326882 375503746 /nfs/dbraw/zinc/50/37/46/375503746.db2.gz BROGSJIOVNPZED-WOPDTQHZSA-N 2 0 198.354 2.153 10 0 AEAERP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400395921 375504661 /nfs/dbraw/zinc/50/46/61/375504661.db2.gz JKGPTRQMOOZFNS-CMPLNLGQSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(CC)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400395924 375504868 /nfs/dbraw/zinc/50/48/68/375504868.db2.gz JKGPTRQMOOZFNS-PWSUYJOCSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(CC)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400395926 375505258 /nfs/dbraw/zinc/50/52/58/375505258.db2.gz JKGPTRQMOOZFNS-ZYHUDNBSSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(CC)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400395923 375505467 /nfs/dbraw/zinc/50/54/67/375505467.db2.gz JKGPTRQMOOZFNS-JQWIXIFHSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C 400521870 375507421 /nfs/dbraw/zinc/50/74/21/375507421.db2.gz OPZJXSATRRSGMK-SRVKXCTJSA-N 2 0 198.354 2.151 10 0 AEAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C 400521872 375507455 /nfs/dbraw/zinc/50/74/55/375507455.db2.gz OPZJXSATRRSGMK-WOPDTQHZSA-N 2 0 198.354 2.151 10 0 AEAERP CC(C)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400512788 375507566 /nfs/dbraw/zinc/50/75/66/375507566.db2.gz MBAISWHKUPPDIV-UTUOFQBUSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C 400521868 375507603 /nfs/dbraw/zinc/50/76/03/375507603.db2.gz OPZJXSATRRSGMK-GRYCIOLGSA-N 2 0 198.354 2.151 10 0 AEAERP CC(C)CCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400472812 375507613 /nfs/dbraw/zinc/50/76/13/375507613.db2.gz YOTNHIMGGHKRBM-VXGBXAGGSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CC[NH2+]C1 400472929 375507653 /nfs/dbraw/zinc/50/76/53/375507653.db2.gz YQBMUHWBVRTRLM-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C 400521869 375507658 /nfs/dbraw/zinc/50/76/58/375507658.db2.gz OPZJXSATRRSGMK-SDDRHHMPSA-N 2 0 198.354 2.151 10 0 AEAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CC[NH2+]C1 400472927 375507752 /nfs/dbraw/zinc/50/77/52/375507752.db2.gz YQBMUHWBVRTRLM-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400512784 375507804 /nfs/dbraw/zinc/50/78/04/375507804.db2.gz MBAISWHKUPPDIV-GRYCIOLGSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400512789 375507913 /nfs/dbraw/zinc/50/79/13/375507913.db2.gz MBAISWHKUPPDIV-WOPDTQHZSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CC[NH2+]C1 400472930 375507952 /nfs/dbraw/zinc/50/79/52/375507952.db2.gz YQBMUHWBVRTRLM-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CC[NH2+]C1 400472932 375507956 /nfs/dbraw/zinc/50/79/56/375507956.db2.gz YQBMUHWBVRTRLM-WDEREUQCSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400472810 375507959 /nfs/dbraw/zinc/50/79/59/375507959.db2.gz YOTNHIMGGHKRBM-NWDGAFQWSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400512786 375508007 /nfs/dbraw/zinc/50/80/07/375508007.db2.gz MBAISWHKUPPDIV-IJLUTSLNSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)CCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400472808 375508073 /nfs/dbraw/zinc/50/80/73/375508073.db2.gz YOTNHIMGGHKRBM-NEPJUHHUSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)CCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400472811 375508275 /nfs/dbraw/zinc/50/82/75/375508275.db2.gz YOTNHIMGGHKRBM-RYUDHWBXSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] 647552039 375661900 /nfs/dbraw/zinc/66/19/00/375661900.db2.gz BKEARXHVJUQXNP-GARJFASQSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C)CC1CCC1 647552399 375662244 /nfs/dbraw/zinc/66/22/44/375662244.db2.gz YQSUWQGIKQZTCM-GARJFASQSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)CC1CCC1 647552397 375662296 /nfs/dbraw/zinc/66/22/96/375662296.db2.gz YQSUWQGIKQZTCM-AXFHLTTASA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)CC1CCC1 647552400 375662473 /nfs/dbraw/zinc/66/24/73/375662473.db2.gz YQSUWQGIKQZTCM-HBNTYKKESA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CC1CCC1 647552398 375662683 /nfs/dbraw/zinc/66/26/83/375662683.db2.gz YQSUWQGIKQZTCM-DCAQKATOSA-N 2 0 198.354 2.281 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 647552038 375662749 /nfs/dbraw/zinc/66/27/49/375662749.db2.gz BKEARXHVJUQXNP-DCAQKATOSA-N 2 0 186.343 2.138 10 0 AEAERP CCC[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 647552040 375662925 /nfs/dbraw/zinc/66/29/25/375662925.db2.gz BKEARXHVJUQXNP-HBNTYKKESA-N 2 0 186.343 2.138 10 0 AEAERP CCC[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 647552037 375663042 /nfs/dbraw/zinc/66/30/42/375663042.db2.gz BKEARXHVJUQXNP-AXFHLTTASA-N 2 0 186.343 2.138 10 0 AEAERP C[NH+]1CCC[C@H]1CC[N@@H+](C)C(C)(C)C 647908312 375675191 /nfs/dbraw/zinc/67/51/91/375675191.db2.gz AKTAOCDUSAXSJS-NSHDSACASA-N 2 0 198.354 2.201 10 0 AEAERP C[NH+]1CCC[C@@H]1CC[N@@H+](C)C(C)(C)C 647908311 375675478 /nfs/dbraw/zinc/67/54/78/375675478.db2.gz AKTAOCDUSAXSJS-LLVKDONJSA-N 2 0 198.354 2.201 10 0 AEAERP C[C@H]1C[C@H]([NH2+]CCC[NH3+])CC(C)(C)C1 37713388 409333580 /nfs/dbraw/zinc/33/35/80/409333580.db2.gz XZANHTILPNHFJU-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)C[C@H](CC)[NH2+]CCC[NH3+] 37713406 409334164 /nfs/dbraw/zinc/33/41/64/409334164.db2.gz BDDNQYMKLDHZLX-QWRGUYRKSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@@H](C)C[C@@H](CC)[NH2+]CCC[NH3+] 37713403 409334038 /nfs/dbraw/zinc/33/40/38/409334038.db2.gz BDDNQYMKLDHZLX-GHMZBOCLSA-N 2 0 186.343 2.140 10 0 AEAERP CC[C@H]([NH2+]CCC[NH3+])c1ccccc1 37713166 409334134 /nfs/dbraw/zinc/33/41/34/409334134.db2.gz OMMQWYBYNAXUFN-LBPRGKRZSA-N 2 0 192.306 2.076 10 0 AEAERP C[C@H]1C[C@@H]([NH2+]CCC[NH3+])CC(C)(C)C1 37713390 409334185 /nfs/dbraw/zinc/33/41/85/409334185.db2.gz XZANHTILPNHFJU-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1C[C@H]([NH2+]CCC[NH3+])CC(C)(C)C1 37713387 409334254 /nfs/dbraw/zinc/33/42/54/409334254.db2.gz XZANHTILPNHFJU-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP Cc1ccc([C@H](C)[NH2+]CCC[NH3+])s1 37713412 409334273 /nfs/dbraw/zinc/33/42/73/409334273.db2.gz OPRWHITXEXJIES-VIFPVBQESA-N 2 0 198.335 2.056 10 0 AEAERP C[C@@H]1C[C@@H]([NH2+]CCC[NH3+])CC(C)(C)C1 37713389 409334481 /nfs/dbraw/zinc/33/44/81/409334481.db2.gz XZANHTILPNHFJU-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H](C[C@H](C)CC)[NH2+]CCC[NH3+] 37713405 409334516 /nfs/dbraw/zinc/33/45/16/409334516.db2.gz BDDNQYMKLDHZLX-MNOVXSKESA-N 2 0 186.343 2.140 10 0 AEAERP Cc1ccc([C@@H](C)[NH2+]CCC[NH3+])s1 37713411 409334523 /nfs/dbraw/zinc/33/45/23/409334523.db2.gz OPRWHITXEXJIES-SECBINFHSA-N 2 0 198.335 2.056 10 0 AEAERP CC[C@H](C)C[C@@H](CC)[NH2+]CCC[NH3+] 37713404 409334703 /nfs/dbraw/zinc/33/47/03/409334703.db2.gz BDDNQYMKLDHZLX-WDEREUQCSA-N 2 0 186.343 2.140 10 0 AEAERP CCCC1CCC([NH2+]CCC[NH3+])CC1 37713465 409334807 /nfs/dbraw/zinc/33/48/07/409334807.db2.gz NVYFNIWOPOQQTI-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccccc1 37713167 409334909 /nfs/dbraw/zinc/33/49/09/409334909.db2.gz OMMQWYBYNAXUFN-GFCCVEGCSA-N 2 0 192.306 2.076 10 0 AEAERP CCCC[N@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746587 409345751 /nfs/dbraw/zinc/34/57/51/409345751.db2.gz VJBKSPGEJPRIGS-FOSCPWQOSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+]C1CC[NH+](CCC(C)(C)C)CC1 49240359 409374252 /nfs/dbraw/zinc/37/42/52/409374252.db2.gz SMPMKITVGSMLHA-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)C[N@H+](C)C1CC[NH2+]CC1 51322786 409381536 /nfs/dbraw/zinc/38/15/36/409381536.db2.gz BXLUIKJLEDWRLL-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)C[N@H+](C)C1CC[NH2+]CC1 51322785 409381667 /nfs/dbraw/zinc/38/16/67/409381667.db2.gz BXLUIKJLEDWRLL-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)C1CCC([NH2+]CCC[NH3+])CC1 54555973 409394059 /nfs/dbraw/zinc/39/40/59/409394059.db2.gz YHPUIFYIPIQWBQ-UHFFFAOYSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[NH+](CCC)C[C@@]1(C)CC[NH2+]C1 62910786 409402008 /nfs/dbraw/zinc/40/20/08/409402008.db2.gz KMQKNGVZUTVOJM-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[NH+](CCC)C[C@]1(C)CC[NH2+]C1 62910785 409402028 /nfs/dbraw/zinc/40/20/28/409402028.db2.gz KMQKNGVZUTVOJM-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP C[NH2+]C1CC[NH+](CCCC(C)C)CC1 62097917 409402410 /nfs/dbraw/zinc/40/24/10/409402410.db2.gz VMSHYTSSIAPNKF-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 62911245 409403585 /nfs/dbraw/zinc/40/35/85/409403585.db2.gz PICUADMGBHUUTI-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](CC)C[C@]1(C)CC[NH2+]C1 62910869 409404283 /nfs/dbraw/zinc/40/42/83/409404283.db2.gz CSPJCEZBHDRQFP-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 62911246 409404358 /nfs/dbraw/zinc/40/43/58/409404358.db2.gz PICUADMGBHUUTI-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@H+](CC)C[C@@]1(C)CC[NH2+]C1 62910870 409405027 /nfs/dbraw/zinc/40/50/27/409405027.db2.gz CSPJCEZBHDRQFP-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP Cc1ccsc1[C@@H](C)[NH2+]CCC[NH3+] 69636602 409409189 /nfs/dbraw/zinc/40/91/89/409409189.db2.gz ULNKZPIVIUUNSY-SECBINFHSA-N 2 0 198.335 2.056 10 0 AEAERP Cc1ccsc1[C@H](C)[NH2+]CCC[NH3+] 69636604 409409250 /nfs/dbraw/zinc/40/92/50/409409250.db2.gz ULNKZPIVIUUNSY-VIFPVBQESA-N 2 0 198.335 2.056 10 0 AEAERP CCC[C@H](C)C[NH2+]CC1([NH3+])CCCC1 656789750 409452644 /nfs/dbraw/zinc/45/26/44/409452644.db2.gz WZYDEROTVCKJQL-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@@H](C)C[NH2+]CC1([NH3+])CCCC1 656789749 409453115 /nfs/dbraw/zinc/45/31/15/409453115.db2.gz WZYDEROTVCKJQL-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 106876326 409456652 /nfs/dbraw/zinc/45/66/52/409456652.db2.gz LLEKVYRUYVEBSJ-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 106876322 409456998 /nfs/dbraw/zinc/45/69/98/409456998.db2.gz LLEKVYRUYVEBSJ-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 106876303 409457015 /nfs/dbraw/zinc/45/70/15/409457015.db2.gz FJDQSJDVHRBIEN-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 106876315 409457500 /nfs/dbraw/zinc/45/75/00/409457500.db2.gz GQYKYWJXMAGLHU-NSHDSACASA-N 2 0 198.354 2.105 10 0 AEAERP CC(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 106876311 409457534 /nfs/dbraw/zinc/45/75/34/409457534.db2.gz GQYKYWJXMAGLHU-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 106876308 409457562 /nfs/dbraw/zinc/45/75/62/409457562.db2.gz FJDQSJDVHRBIEN-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 106876319 409457684 /nfs/dbraw/zinc/45/76/84/409457684.db2.gz LLEKVYRUYVEBSJ-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 106876325 409457872 /nfs/dbraw/zinc/45/78/72/409457872.db2.gz LLEKVYRUYVEBSJ-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H]1CCCCC[N@@H+]1CCC[NH2+]C 108310518 409458582 /nfs/dbraw/zinc/45/85/82/409458582.db2.gz STBWBUSADXEOGH-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@H]1CCCCC[N@@H+]1CCC[NH2+]C 108310519 409459933 /nfs/dbraw/zinc/45/99/33/409459933.db2.gz STBWBUSADXEOGH-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126706856 409476224 /nfs/dbraw/zinc/47/62/24/409476224.db2.gz DRJHQAMYMRKIJX-SRVKXCTJSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH3+] 126911338 409476987 /nfs/dbraw/zinc/47/69/87/409476987.db2.gz WULGFZMZQPDXCH-RYUDHWBXSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCC[NH3+] 126911831 409477552 /nfs/dbraw/zinc/47/75/52/409477552.db2.gz WULGFZMZQPDXCH-NWDGAFQWSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCC[NH3+] 126912046 409477719 /nfs/dbraw/zinc/47/77/19/409477719.db2.gz WULGFZMZQPDXCH-VXGBXAGGSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCC[NH3+] 126911543 409478294 /nfs/dbraw/zinc/47/82/94/409478294.db2.gz WULGFZMZQPDXCH-NEPJUHHUSA-N 2 0 198.354 2.140 10 0 AEAERP CCC(CC)C[NH+]1CCC([NH2+]C)CC1 129066267 409480369 /nfs/dbraw/zinc/48/03/69/409480369.db2.gz QISQVBCMIMOXMP-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CCCN(C)CC(C)(C)[NH2+]CC1CC1 657793157 409496348 /nfs/dbraw/zinc/49/63/48/409496348.db2.gz TUUDIPKZGCNSRJ-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@@H]1CCN1C(C)(C)C 658057907 409505156 /nfs/dbraw/zinc/50/51/56/409505156.db2.gz PYDNXAXCIADFDK-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[NH2+]C[C@@H]1CCN1C(C)(C)C 658057911 409505316 /nfs/dbraw/zinc/50/53/16/409505316.db2.gz PYDNXAXCIADFDK-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@H]1CCN1C(C)(C)C 658057906 409505646 /nfs/dbraw/zinc/50/56/46/409505646.db2.gz PYDNXAXCIADFDK-GHMZBOCLSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[NH2+]C[C@H]1CCN1C(C)(C)C 658057912 409505972 /nfs/dbraw/zinc/50/59/72/409505972.db2.gz PYDNXAXCIADFDK-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 219856883 409516104 /nfs/dbraw/zinc/51/61/04/409516104.db2.gz PICUADMGBHUUTI-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 219856933 409517470 /nfs/dbraw/zinc/51/74/70/409517470.db2.gz PICUADMGBHUUTI-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+]C1CCC([NH3+])CC1 300387635 409532650 /nfs/dbraw/zinc/53/26/50/409532650.db2.gz PODLEYYWVPTYNW-YYJSSNLHSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1[NH3+] 300839163 409535431 /nfs/dbraw/zinc/53/54/31/409535431.db2.gz JLZSFXWBKCLKQO-MNOVXSKESA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1[NH3+] 300839169 409535676 /nfs/dbraw/zinc/53/56/76/409535676.db2.gz JLZSFXWBKCLKQO-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1[NH3+] 300839166 409535785 /nfs/dbraw/zinc/53/57/85/409535785.db2.gz JLZSFXWBKCLKQO-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C)C(C)(C)C 306281391 409550657 /nfs/dbraw/zinc/55/06/57/409550657.db2.gz IMGYHMJIMNKNCI-MXWKQRLJSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C(C)(C)C 306281393 409550758 /nfs/dbraw/zinc/55/07/58/409550758.db2.gz IMGYHMJIMNKNCI-VWYCJHECSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C(C)(C)C 306281392 409550955 /nfs/dbraw/zinc/55/09/55/409550955.db2.gz IMGYHMJIMNKNCI-OUAUKWLOSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](C)C(C)(C)C 306281389 409551298 /nfs/dbraw/zinc/55/12/98/409551298.db2.gz IMGYHMJIMNKNCI-GMTAPVOTSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])[C@H](C)C1 306320198 409558304 /nfs/dbraw/zinc/55/83/04/409558304.db2.gz IYRBOURAVFGZAF-OOCWMUITSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H](C)[C@@H](C)[NH3+] 306320200 409558399 /nfs/dbraw/zinc/55/83/99/409558399.db2.gz IYRBOURAVFGZAF-ROHXPCBUSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C 306320207 409558534 /nfs/dbraw/zinc/55/85/34/409558534.db2.gz IYRBOURAVFGZAF-ZIQFBCGOSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H](C)[C@H](C)[NH3+] 306320195 409558616 /nfs/dbraw/zinc/55/86/16/409558616.db2.gz IYRBOURAVFGZAF-IIRVCBMXSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H](CCC[NH3+])[NH2+][C@H](C)C(C)(C)C 308185742 409691234 /nfs/dbraw/zinc/69/12/34/409691234.db2.gz FUKUJRYZHIEMGJ-NXEZZACHSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@@H](CCC[NH3+])[NH2+][C@H](C)C(C)(C)C 308185744 409691802 /nfs/dbraw/zinc/69/18/02/409691802.db2.gz FUKUJRYZHIEMGJ-VHSXEESVSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)C(C)(C)C 308185743 409692886 /nfs/dbraw/zinc/69/28/86/409692886.db2.gz FUKUJRYZHIEMGJ-UWVGGRQHSA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)CC[C@H]([NH2+]CCC[NH3+])C1CC1 308562304 409736325 /nfs/dbraw/zinc/73/63/25/409736325.db2.gz WRDUXOGSSMIUAC-LBPRGKRZSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)CC[C@@H]([NH2+]CCC[NH3+])C1CC1 308562303 409736417 /nfs/dbraw/zinc/73/64/17/409736417.db2.gz WRDUXOGSSMIUAC-GFCCVEGCSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC[C@H]1CCC[C@H]1[NH2+]CCC[NH3+] 308980095 409763821 /nfs/dbraw/zinc/76/38/21/409763821.db2.gz HVEYKALSDMNJNJ-NWDGAFQWSA-N 2 0 198.354 2.284 10 0 AEAERP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 308980093 409764182 /nfs/dbraw/zinc/76/41/82/409764182.db2.gz HVEYKALSDMNJNJ-NEPJUHHUSA-N 2 0 198.354 2.284 10 0 AEAERP CCCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH3+] 308980099 409764204 /nfs/dbraw/zinc/76/42/04/409764204.db2.gz HVEYKALSDMNJNJ-VXGBXAGGSA-N 2 0 198.354 2.284 10 0 AEAERP CCCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 308980097 409764520 /nfs/dbraw/zinc/76/45/20/409764520.db2.gz HVEYKALSDMNJNJ-RYUDHWBXSA-N 2 0 198.354 2.284 10 0 AEAERP CCC1(C)CCC([NH2+]CCC[NH3+])CC1 309094663 409766047 /nfs/dbraw/zinc/76/60/47/409766047.db2.gz CIVHWAVSAUDJFF-UHFFFAOYSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H](CCC1CCCC1)[NH2+]CCC[NH3+] 309014995 409766274 /nfs/dbraw/zinc/76/62/74/409766274.db2.gz UARLXZDNYVIAJU-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@@H](CCC1CCCC1)[NH2+]CCC[NH3+] 309014997 409766432 /nfs/dbraw/zinc/76/64/32/409766432.db2.gz UARLXZDNYVIAJU-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@H]([NH2+]CCC[NH3+])C1CCCC1 313398417 409778267 /nfs/dbraw/zinc/77/82/67/409778267.db2.gz KCRBZDICLLAURZ-LBPRGKRZSA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@@H]([NH2+]CCC[NH3+])C1CCCC1 313398416 409778320 /nfs/dbraw/zinc/77/83/20/409778320.db2.gz KCRBZDICLLAURZ-GFCCVEGCSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)(C)CCC[NH2+]C1CC[NH2+]CC1 313273744 409779265 /nfs/dbraw/zinc/77/92/65/409779265.db2.gz SPSRJRAZDKRZPS-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC1CC1 663503032 409784468 /nfs/dbraw/zinc/78/44/68/409784468.db2.gz MEUMOFJXHFGHFA-CMPLNLGQSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]1C 663500412 409784814 /nfs/dbraw/zinc/78/48/14/409784814.db2.gz RNBJBBXGJXKCPX-TUAOUCFPSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]1C 663500413 409784966 /nfs/dbraw/zinc/78/49/66/409784966.db2.gz RNBJBBXGJXKCPX-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1C 663500411 409785407 /nfs/dbraw/zinc/78/54/07/409785407.db2.gz RNBJBBXGJXKCPX-QJPTWQEYSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[C@H](C)C1 663500361 409785689 /nfs/dbraw/zinc/78/56/89/409785689.db2.gz QBLZGCGBHAOTIP-SDDRHHMPSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H](C)C1 663500360 409785725 /nfs/dbraw/zinc/78/57/25/409785725.db2.gz QBLZGCGBHAOTIP-QJPTWQEYSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1C 663500410 409786058 /nfs/dbraw/zinc/78/60/58/409786058.db2.gz RNBJBBXGJXKCPX-IJLUTSLNSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C1CCC1 663502114 409786352 /nfs/dbraw/zinc/78/63/52/409786352.db2.gz FUCXWVMDCCKKJK-CMPLNLGQSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C1CCC1 663502115 409786768 /nfs/dbraw/zinc/78/67/68/409786768.db2.gz FUCXWVMDCCKKJK-ZYHUDNBSSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C 663503147 409790594 /nfs/dbraw/zinc/79/05/94/409790594.db2.gz OFMUJBMBPKBAQL-WDEREUQCSA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC1CC1 663503033 409790922 /nfs/dbraw/zinc/79/09/22/409790922.db2.gz MEUMOFJXHFGHFA-ZYHUDNBSSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C 663503125 409791103 /nfs/dbraw/zinc/79/11/03/409791103.db2.gz OFMUJBMBPKBAQL-GHMZBOCLSA-N 2 0 186.343 2.138 10 0 AEAERP C[C@H](CCC(C)(C)C)[NH2+]CCC[NH3+] 379366968 409834651 /nfs/dbraw/zinc/83/46/51/409834651.db2.gz LOEMIOMSHQAPGM-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP C[C@@H](CCC(C)(C)C)[NH2+]CCC[NH3+] 379366967 409835393 /nfs/dbraw/zinc/83/53/93/409835393.db2.gz LOEMIOMSHQAPGM-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCCC[NH3+] 379567249 409848769 /nfs/dbraw/zinc/84/87/69/409848769.db2.gz DLCJSBFXOYYFKO-IJLUTSLNSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCCC[NH3+] 379567318 409849348 /nfs/dbraw/zinc/84/93/48/409849348.db2.gz DLCJSBFXOYYFKO-UTUOFQBUSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] 379567317 409850014 /nfs/dbraw/zinc/85/00/14/409850014.db2.gz DLCJSBFXOYYFKO-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCCC[NH3+] 379567250 409850363 /nfs/dbraw/zinc/85/03/63/409850363.db2.gz DLCJSBFXOYYFKO-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 665236277 409851629 /nfs/dbraw/zinc/85/16/29/409851629.db2.gz JOZGTYUCJDVTFT-VHSXEESVSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@@H](C)CC[NH2+][C@H]1CCC[NH2+]CC1 665238039 409851709 /nfs/dbraw/zinc/85/17/09/409851709.db2.gz OZVXUEQRIUICJV-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CCC(C)(C)[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 665236278 409852534 /nfs/dbraw/zinc/85/25/34/409852534.db2.gz JOZGTYUCJDVTFT-ZJUUUORDSA-N 2 0 198.354 2.009 10 0 AEAERP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 665236276 409852994 /nfs/dbraw/zinc/85/29/94/409852994.db2.gz JOZGTYUCJDVTFT-UWVGGRQHSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 665237541 409853073 /nfs/dbraw/zinc/85/30/73/409853073.db2.gz DCHQKVZBSFSXKA-QJPTWQEYSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 665237543 409853109 /nfs/dbraw/zinc/85/31/09/409853109.db2.gz DCHQKVZBSFSXKA-SRVKXCTJSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 665237542 409853368 /nfs/dbraw/zinc/85/33/68/409853368.db2.gz DCHQKVZBSFSXKA-SDDRHHMPSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 665237544 409854035 /nfs/dbraw/zinc/85/40/35/409854035.db2.gz DCHQKVZBSFSXKA-TUAOUCFPSA-N 2 0 198.354 2.010 10 0 AEAERP CCC(C)(C)[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 665236275 409854514 /nfs/dbraw/zinc/85/45/14/409854514.db2.gz JOZGTYUCJDVTFT-NXEZZACHSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@@H](C)CC[NH2+][C@@H]1CCC[NH2+]CC1 665238042 409855542 /nfs/dbraw/zinc/85/55/42/409855542.db2.gz OZVXUEQRIUICJV-VXGBXAGGSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)CC[NH2+][C@@H]1CCC[NH2+]CC1 665238040 409855773 /nfs/dbraw/zinc/85/57/73/409855773.db2.gz OZVXUEQRIUICJV-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@H](C)CC[NH2+][C@H]1CCC[NH2+]CC1 665238041 409856564 /nfs/dbraw/zinc/85/65/64/409856564.db2.gz OZVXUEQRIUICJV-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP C[C@H]([NH2+]CC1([NH3+])CCCC1)C(C)(C)C 665248894 409859646 /nfs/dbraw/zinc/85/96/46/409859646.db2.gz FIQSMOGBJAUNMV-JTQLQIEISA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1CC1 665280776 409868595 /nfs/dbraw/zinc/86/85/95/409868595.db2.gz LBXCQOLQNXSXLH-VXGBXAGGSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H]1CC[C@H]1[NH2+]CC[C@@H]([NH3+])C(C)C 665281558 409869712 /nfs/dbraw/zinc/86/97/12/409869712.db2.gz GTCAQZBCRBONCQ-QJPTWQEYSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H]1CC[C@@H]1[NH2+]CC[C@@H]([NH3+])C(C)C 665281559 409869954 /nfs/dbraw/zinc/86/99/54/409869954.db2.gz GTCAQZBCRBONCQ-TUAOUCFPSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1CC1 665280775 409870560 /nfs/dbraw/zinc/87/05/60/409870560.db2.gz LBXCQOLQNXSXLH-NEPJUHHUSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H]([NH3+])C(C)C 665281557 409870700 /nfs/dbraw/zinc/87/07/00/409870700.db2.gz GTCAQZBCRBONCQ-IJLUTSLNSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]([NH3+])C(C)C 665281560 409870722 /nfs/dbraw/zinc/87/07/22/409870722.db2.gz GTCAQZBCRBONCQ-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP CCC(C)(C)CC[N@@H+]1CC[C@H](C[NH3+])C1 380230868 409875371 /nfs/dbraw/zinc/87/53/71/409875371.db2.gz LIWBHPCWOUURIH-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)(C)C 665298401 409876714 /nfs/dbraw/zinc/87/67/14/409876714.db2.gz VOXFLVLRBGYANU-DCAQKATOSA-N 2 0 198.354 2.009 10 0 AEAERP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)(C)C 665298403 409875892 /nfs/dbraw/zinc/87/58/92/409875892.db2.gz VOXFLVLRBGYANU-HBNTYKKESA-N 2 0 198.354 2.009 10 0 AEAERP CCC(C)(C)CC[N@@H+]1CC[C@@H](C[NH3+])C1 380230876 409876034 /nfs/dbraw/zinc/87/60/34/409876034.db2.gz LIWBHPCWOUURIH-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 665298402 409876603 /nfs/dbraw/zinc/87/66/03/409876603.db2.gz VOXFLVLRBGYANU-GARJFASQSA-N 2 0 198.354 2.009 10 0 AEAERP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)(C)C 665298400 409877024 /nfs/dbraw/zinc/87/70/24/409877024.db2.gz VOXFLVLRBGYANU-AXFHLTTASA-N 2 0 198.354 2.009 10 0 AEAERP Cc1cc([C@H](C)[NH2+]CCC[NH3+])cs1 381705669 409885138 /nfs/dbraw/zinc/88/51/38/409885138.db2.gz HTIURTNNMZLDNM-VIFPVBQESA-N 2 0 198.335 2.056 10 0 AEAERP Cc1cc([C@@H](C)[NH2+]CCC[NH3+])cs1 381705665 409885533 /nfs/dbraw/zinc/88/55/33/409885533.db2.gz HTIURTNNMZLDNM-SECBINFHSA-N 2 0 198.335 2.056 10 0 AEAERP CC[C@H]([NH2+]CCC[NH3+])c1ccsc1 382164977 409893976 /nfs/dbraw/zinc/89/39/76/409893976.db2.gz VDJURJHGNVNYAU-JTQLQIEISA-N 2 0 198.335 2.138 10 0 AEAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccsc1 382164979 409894431 /nfs/dbraw/zinc/89/44/31/409894431.db2.gz VDJURJHGNVNYAU-SNVBAGLBSA-N 2 0 198.335 2.138 10 0 AEAERP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 386253830 409935060 /nfs/dbraw/zinc/93/50/60/409935060.db2.gz JAURPECOFVZNNS-GRYCIOLGSA-N 2 0 198.354 2.009 10 0 AEAERP CCC[C@H](C)C[NH+]1CCC(C)([NH3+])CC1 382374965 409902940 /nfs/dbraw/zinc/90/29/40/409902940.db2.gz BDPWXCJANZLKRD-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H](C)C[NH+]1CCC(C)([NH3+])CC1 382374964 409903199 /nfs/dbraw/zinc/90/31/99/409903199.db2.gz BDPWXCJANZLKRD-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1CCCC1 382798517 409905648 /nfs/dbraw/zinc/90/56/48/409905648.db2.gz WRWIIHCXVVRROK-UMNHJUIQSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@@H]([NH2+]CCC[NH2+]C1CC1)C(C)(C)C 382592905 409906195 /nfs/dbraw/zinc/90/61/95/409906195.db2.gz HZHKUECDLLFSGO-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]([NH2+]CCC[NH2+]C1CC1)C(C)(C)C 382592903 409906447 /nfs/dbraw/zinc/90/64/47/409906447.db2.gz HZHKUECDLLFSGO-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1CCCC1 382798157 409906997 /nfs/dbraw/zinc/90/69/97/409906997.db2.gz WRWIIHCXVVRROK-FOGDFJRCSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1CCCC1 382798515 409907801 /nfs/dbraw/zinc/90/78/01/409907801.db2.gz WRWIIHCXVVRROK-SCVCMEIPSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1CCCC1 382798158 409907840 /nfs/dbraw/zinc/90/78/40/409907840.db2.gz WRWIIHCXVVRROK-NHCYSSNCSA-N 2 0 198.354 2.281 10 0 AEAERP CC/C=C/C[NH2+][C@H](C)CCCC[NH3+] 384762745 409912600 /nfs/dbraw/zinc/91/26/00/409912600.db2.gz AORIWYMXYGRWLS-TZOMUSMUSA-N 2 0 184.327 2.060 10 0 AEAERP CC/C=C/C[NH2+][C@@H](C)CCCC[NH3+] 384762746 409913484 /nfs/dbraw/zinc/91/34/84/409913484.db2.gz AORIWYMXYGRWLS-ZPMKCOPCSA-N 2 0 184.327 2.060 10 0 AEAERP CC/C=C\C[NH2+][C@@H](C)CCCC[NH3+] 384762741 409914008 /nfs/dbraw/zinc/91/40/08/409914008.db2.gz AORIWYMXYGRWLS-IBHLPDHGSA-N 2 0 184.327 2.060 10 0 AEAERP C[C@H](C[N@H+](C)C1CC([NH3+])C1)C(C)(C)C 384711533 409914316 /nfs/dbraw/zinc/91/43/16/409914316.db2.gz DMWGTHYTLBWILU-KPPDAEKUSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@@H](C[N@H+](C)C1CC([NH3+])C1)C(C)(C)C 384711534 409914342 /nfs/dbraw/zinc/91/43/42/409914342.db2.gz DMWGTHYTLBWILU-WHXUTIOJSA-N 2 0 198.354 2.090 10 0 AEAERP CC/C=C\C[NH2+][C@H](C)CCCC[NH3+] 384762743 409914422 /nfs/dbraw/zinc/91/44/22/409914422.db2.gz AORIWYMXYGRWLS-MEQVVJDKSA-N 2 0 184.327 2.060 10 0 AEAERP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[NH2+]C1 386092533 409933048 /nfs/dbraw/zinc/93/30/48/409933048.db2.gz GFECDMQQJZSRGN-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C 386253832 409933127 /nfs/dbraw/zinc/93/31/27/409933127.db2.gz JAURPECOFVZNNS-QJPTWQEYSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CC[NH2+]C1 386092536 409933570 /nfs/dbraw/zinc/93/35/70/409933570.db2.gz GFECDMQQJZSRGN-WDEREUQCSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 386253831 409933821 /nfs/dbraw/zinc/93/38/21/409933821.db2.gz JAURPECOFVZNNS-IJLUTSLNSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[NH2+]C1 386092534 409935553 /nfs/dbraw/zinc/93/55/53/409935553.db2.gz GFECDMQQJZSRGN-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CC[NH2+]C1 386092535 409935686 /nfs/dbraw/zinc/93/56/86/409935686.db2.gz GFECDMQQJZSRGN-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C 386253833 409935817 /nfs/dbraw/zinc/93/58/17/409935817.db2.gz JAURPECOFVZNNS-SDDRHHMPSA-N 2 0 198.354 2.009 10 0 AEAERP CCC1(C[NH2+][C@@H](C)CCCC[NH3+])CC1 389255910 409967750 /nfs/dbraw/zinc/96/77/50/409967750.db2.gz GFPDHDRWXUPGHT-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC1(C[NH2+][C@H](C)CCCC[NH3+])CC1 389255904 409968316 /nfs/dbraw/zinc/96/83/16/409968316.db2.gz GFPDHDRWXUPGHT-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)C(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 389897206 409974106 /nfs/dbraw/zinc/97/41/06/409974106.db2.gz ZXMQLNWSKDGZRZ-NSHDSACASA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 389897205 409975150 /nfs/dbraw/zinc/97/51/50/409975150.db2.gz ZXMQLNWSKDGZRZ-LLVKDONJSA-N 2 0 198.354 2.010 10 0 AEAERP [NH3+]CCC[NH2+][C@@H]1CCCC12CCCC2 392767790 409979419 /nfs/dbraw/zinc/97/94/19/409979419.db2.gz PNIQDNRGUTYSFR-LLVKDONJSA-N 2 0 196.338 2.038 10 0 AEAERP [NH3+]CCC[NH2+][C@H]1CCCC12CCCC2 392767793 409979670 /nfs/dbraw/zinc/97/96/70/409979670.db2.gz PNIQDNRGUTYSFR-NSHDSACASA-N 2 0 196.338 2.038 10 0 AEAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C(C)C 393690165 409990000 /nfs/dbraw/zinc/99/00/00/409990000.db2.gz OWSYNRMZTANPGQ-WOPDTQHZSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H](C)[NH3+] 393679328 409990203 /nfs/dbraw/zinc/99/02/03/409990203.db2.gz QVOSGMAOMCGGJP-QCNOEVLYSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C(C)C 393690160 409990437 /nfs/dbraw/zinc/99/04/37/409990437.db2.gz OWSYNRMZTANPGQ-GRYCIOLGSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)C(C)C 393690162 409991051 /nfs/dbraw/zinc/99/10/51/409991051.db2.gz OWSYNRMZTANPGQ-SDDRHHMPSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H](C)[NH3+] 393679326 409991461 /nfs/dbraw/zinc/99/14/61/409991461.db2.gz QVOSGMAOMCGGJP-KKOKHZNYSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)C(C)C 393690163 409991506 /nfs/dbraw/zinc/99/15/06/409991506.db2.gz OWSYNRMZTANPGQ-SRVKXCTJSA-N 2 0 198.354 2.009 10 0 AEAERP CCC(C)(C)CC[N@H+](C)CCC[NH3+] 393678322 409991553 /nfs/dbraw/zinc/99/15/53/409991553.db2.gz LZZPCSJWFSXTIM-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H](C)[NH3+] 393679329 409991576 /nfs/dbraw/zinc/99/15/76/409991576.db2.gz QVOSGMAOMCGGJP-YFKTTZPYSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H](C)[NH3+] 393679327 409991600 /nfs/dbraw/zinc/99/16/00/409991600.db2.gz QVOSGMAOMCGGJP-KXNHARMFSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 394344236 409996669 /nfs/dbraw/zinc/99/66/69/409996669.db2.gz HTYVVUILTVYURJ-FIQHERPVSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C 394344238 409997197 /nfs/dbraw/zinc/99/71/97/409997197.db2.gz HTYVVUILTVYURJ-WHOHXGKFSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C 394344235 409997212 /nfs/dbraw/zinc/99/72/12/409997212.db2.gz HTYVVUILTVYURJ-BJDJZHNGSA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C 394344237 409997348 /nfs/dbraw/zinc/99/73/48/409997348.db2.gz HTYVVUILTVYURJ-USZNOCQGSA-N 2 0 198.354 2.009 10 0 AEAERP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C 395095214 410003662 /nfs/dbraw/zinc/00/36/62/410003662.db2.gz DPDDIQBIZONKOK-GMTAPVOTSA-N 2 0 198.354 2.138 10 0 AEAERP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 395095216 410001847 /nfs/dbraw/zinc/00/18/47/410001847.db2.gz DPDDIQBIZONKOK-OUAUKWLOSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1C 395162874 410002223 /nfs/dbraw/zinc/00/22/23/410002223.db2.gz NUZYLPKGRROAFI-WHOHXGKFSA-N 2 0 198.354 2.138 10 0 AEAERP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](C)[C@H]1C 395095215 410002448 /nfs/dbraw/zinc/00/24/48/410002448.db2.gz DPDDIQBIZONKOK-HBNTYKKESA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1C 395162873 410002769 /nfs/dbraw/zinc/00/27/69/410002769.db2.gz NUZYLPKGRROAFI-IRCOFANPSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)[C@H]1C 395162871 410002872 /nfs/dbraw/zinc/00/28/72/410002872.db2.gz NUZYLPKGRROAFI-DDHJBXDOSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]1[C@H](C)C[C@H]1[NH2+][C@H](C)CCCC[NH3+] 395162876 410003185 /nfs/dbraw/zinc/00/31/85/410003185.db2.gz NUZYLPKGRROAFI-WISYIIOYSA-N 2 0 198.354 2.138 10 0 AEAERP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C 395095213 410003581 /nfs/dbraw/zinc/00/35/81/410003581.db2.gz DPDDIQBIZONKOK-GARJFASQSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H]1CC1(C)C 397782482 410014974 /nfs/dbraw/zinc/01/49/74/410014974.db2.gz JMYCGNOAMZQUNK-OUAUKWLOSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1CC1(C)C 397782485 410015447 /nfs/dbraw/zinc/01/54/47/410015447.db2.gz JMYCGNOAMZQUNK-VWYCJHECSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CC1(C)C 397782480 410015578 /nfs/dbraw/zinc/01/55/78/410015578.db2.gz JMYCGNOAMZQUNK-MXWKQRLJSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CC1(C)C 397782477 410015902 /nfs/dbraw/zinc/01/59/02/410015902.db2.gz JMYCGNOAMZQUNK-GMTAPVOTSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)=CCC[NH2+][C@H]1CCC[NH2+]CC1 397806909 410017048 /nfs/dbraw/zinc/01/70/48/410017048.db2.gz HHLAEFOWLSGUMD-LBPRGKRZSA-N 2 0 196.338 2.074 10 0 AEAERP CC(C)=CCC[NH2+]C1CCC([NH3+])CC1 397798168 410017870 /nfs/dbraw/zinc/01/78/70/410017870.db2.gz DNHLGJOYNNLCPJ-UHFFFAOYSA-N 2 0 196.338 2.202 10 0 AEAERP CC(C)=CCC[NH2+][C@@H]1CCC[NH2+]CC1 397806908 410017922 /nfs/dbraw/zinc/01/79/22/410017922.db2.gz HHLAEFOWLSGUMD-GFCCVEGCSA-N 2 0 196.338 2.074 10 0 AEAERP C[C@H]([NH2+][C@H](C)C(C)(C)C)[C@@H]1CCC[NH2+]1 400483539 410029914 /nfs/dbraw/zinc/02/99/14/410029914.db2.gz GHXJSKSRHPZYQN-AXFHLTTASA-N 2 0 198.354 2.151 10 0 AEAERP C[C@H]([NH2+][C@H](C)C(C)(C)C)[C@@H]1CC[NH2+]C1 400473890 410030147 /nfs/dbraw/zinc/03/01/47/410030147.db2.gz ZCCKYKDUFMIUBU-HBNTYKKESA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H]([NH2+][C@H](C)C(C)(C)C)[C@H]1CCC[NH2+]1 400483542 410030241 /nfs/dbraw/zinc/03/02/41/410030241.db2.gz GHXJSKSRHPZYQN-HBNTYKKESA-N 2 0 198.354 2.151 10 0 AEAERP C[C@H]([NH2+][C@H](C)C(C)(C)C)[C@H]1CC[NH2+]C1 400473885 410031194 /nfs/dbraw/zinc/03/11/94/410031194.db2.gz ZCCKYKDUFMIUBU-AXFHLTTASA-N 2 0 198.354 2.009 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+]CCC1(C[NH3+])CC1 404852944 410042140 /nfs/dbraw/zinc/04/21/40/410042140.db2.gz RMXBLWVKQBRBIC-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H](C)[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 404852941 410042304 /nfs/dbraw/zinc/04/23/04/410042304.db2.gz RMXBLWVKQBRBIC-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[C@H](C)[NH2+]CCC1(C[NH3+])CC1 404551448 410042414 /nfs/dbraw/zinc/04/24/14/410042414.db2.gz NTDOOKCHATXWKD-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@H](C)[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 404852946 410042517 /nfs/dbraw/zinc/04/25/17/410042517.db2.gz RMXBLWVKQBRBIC-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP [NH3+]CC1(CC[NH2+]C2CCCCC2)CC1 404539715 410042652 /nfs/dbraw/zinc/04/26/52/410042652.db2.gz FXTJCZQNPZDCIN-UHFFFAOYSA-N 2 0 196.338 2.038 10 0 AEAERP CC[C@@H](C)[C@H](C)[NH2+]CCC1(C[NH3+])CC1 404852942 410042728 /nfs/dbraw/zinc/04/27/28/410042728.db2.gz RMXBLWVKQBRBIC-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 404551447 410042777 /nfs/dbraw/zinc/04/27/77/410042777.db2.gz NTDOOKCHATXWKD-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H](C)C[NH2+]CCC1(C[NH3+])CC1 650713535 410274941 /nfs/dbraw/zinc/27/49/41/410274941.db2.gz VZAZJKVUXWSHHO-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CCCC[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 650713794 410275065 /nfs/dbraw/zinc/27/50/65/410275065.db2.gz CBRTZAXBSWYMMQ-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)CCC[NH2+]CCC1(C[NH3+])CC1 650713802 410275086 /nfs/dbraw/zinc/27/50/86/410275086.db2.gz CFRMNYMTIJSJFE-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CCC[C@@H](CC)[NH2+]CCC1(C[NH3+])CC1 650714287 410275144 /nfs/dbraw/zinc/27/51/44/410275144.db2.gz YEKRPERMQKNZBW-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP CCCC[C@H](C)[NH2+]CCC1(C[NH3+])CC1 650713795 410275326 /nfs/dbraw/zinc/27/53/26/410275326.db2.gz CBRTZAXBSWYMMQ-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@H](CC)[NH2+]CCC1(C[NH3+])CC1 650714288 410275526 /nfs/dbraw/zinc/27/55/26/410275526.db2.gz YEKRPERMQKNZBW-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC(CC)C[NH2+]CCC1(C[NH3+])CC1 650712526 410275630 /nfs/dbraw/zinc/27/56/30/410275630.db2.gz ICLJGWDNQGOASX-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CC(C)(C)CC[NH2+]CCC1(C[NH3+])CC1 650713882 410275913 /nfs/dbraw/zinc/27/59/13/410275913.db2.gz HXBZANBSJCOTKF-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CCC[C@H](C)C[NH2+]CCC1(C[NH3+])CC1 650713536 410276317 /nfs/dbraw/zinc/27/63/17/410276317.db2.gz VZAZJKVUXWSHHO-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)C(C)C 650742683 410278189 /nfs/dbraw/zinc/27/81/89/410278189.db2.gz BNPWSRLMFRKMTG-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]([NH2+][C@H](C)C(C)(C)C)[C@H]1CCC[NH2+]1 650760531 410277879 /nfs/dbraw/zinc/27/78/79/410277879.db2.gz GHXJSKSRHPZYQN-GMTAPVOTSA-N 2 0 198.354 2.151 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C)C(C)(C)C 650761043 410278077 /nfs/dbraw/zinc/27/80/77/410278077.db2.gz RAHANXBMCSGTRV-LPEHRKFASA-N 2 0 186.343 2.136 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)C(C)(C)C 650761044 410278156 /nfs/dbraw/zinc/27/81/56/410278156.db2.gz RAHANXBMCSGTRV-OPRDCNLKSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+][C@H](C)C(C)(C)C 650761042 410278254 /nfs/dbraw/zinc/27/82/54/410278254.db2.gz RAHANXBMCSGTRV-KXUCPTDWSA-N 2 0 186.343 2.136 10 0 AEAERP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)C(C)C 650742684 410278330 /nfs/dbraw/zinc/27/83/30/410278330.db2.gz BNPWSRLMFRKMTG-NSHDSACASA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)C(C)(C)C 650745445 410278900 /nfs/dbraw/zinc/27/89/00/410278900.db2.gz GYNHZLXDZNGCJL-JTQLQIEISA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)C(C)(C)C 650761041 410279291 /nfs/dbraw/zinc/27/92/91/410279291.db2.gz RAHANXBMCSGTRV-IVZWLZJFSA-N 2 0 186.343 2.136 10 0 AEAERP C[C@@H]([NH2+][C@H](C)C(C)(C)C)[C@@H]1CCC[NH2+]1 650760532 410279448 /nfs/dbraw/zinc/27/94/48/410279448.db2.gz GHXJSKSRHPZYQN-MXWKQRLJSA-N 2 0 198.354 2.151 10 0 AEAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)C(C)(C)C 650745446 410279653 /nfs/dbraw/zinc/27/96/53/410279653.db2.gz GYNHZLXDZNGCJL-SNVBAGLBSA-N 2 0 198.354 2.140 10 0 AEAERP CC[N@H+](CC1CC1)C[C@@](C)(CC)C[NH3+] 68948399 572012173 /nfs/dbraw/zinc/01/21/73/572012173.db2.gz DWAFNPJPGVHWQI-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H]1CC[C@H]([NH2+]CC[C@H](C)CC[NH3+])C1 393456698 572016546 /nfs/dbraw/zinc/01/65/46/572016546.db2.gz PVHPZGFXHGVMFX-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+]CCCC[N@@H+]1CCCCC[C@@H]1C 69945374 572164883 /nfs/dbraw/zinc/16/48/83/572164883.db2.gz HEFGTMORAISSSJ-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCC[C@H](C)CC1 82488870 572039952 /nfs/dbraw/zinc/03/99/52/572039952.db2.gz KSWDYKNAECKQDV-RYUDHWBXSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](CC[NH3+])[NH+]1C[C@@H](C)C[C@H](C)C1 36677493 572060221 /nfs/dbraw/zinc/06/02/21/572060221.db2.gz IVUQZXNSGCKQPE-SDDRHHMPSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]C[C@H](C)C[N@@H+]1CCCCC[C@@H]1C 69945768 572164928 /nfs/dbraw/zinc/16/49/28/572164928.db2.gz LNIFYJBYSUAKNB-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H](CCC[NH3+])[N@@H+]1CCCCC[C@H]1C 69945796 572164936 /nfs/dbraw/zinc/16/49/36/572164936.db2.gz WXCZRNPUZABVCL-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP CC[NH2+]C[C@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C 87946904 572760448 /nfs/dbraw/zinc/76/04/48/572760448.db2.gz BTGLIVHXXCHCKJ-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86302956 572910894 /nfs/dbraw/zinc/91/08/94/572910894.db2.gz RQNXFLPYXTZTHO-WOPDTQHZSA-N 2 0 198.354 2.105 10 0 AEAERP CC[N@H+](CCC1(C[NH3+])CCC1)C(C)C 88051707 572946317 /nfs/dbraw/zinc/94/63/17/572946317.db2.gz HLVSXWMSYLNLEN-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC)CCC1(C[NH3+])CCC1 88051715 572946452 /nfs/dbraw/zinc/94/64/52/572946452.db2.gz LGSYOSNGNRDLQD-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CCC[C@H](CCC(C)(C)[NH3+])[NH+](C)C 259302569 572996322 /nfs/dbraw/zinc/99/63/22/572996322.db2.gz DDKANIFOFZPHHU-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CCC(C)(C)[NH2+]CCCC[NH+](C)C 308252670 573085624 /nfs/dbraw/zinc/08/56/24/573085624.db2.gz CASNYZOSMUPLCE-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP C[N@H+](CC(C)(C)C)[C@H]1CCC[NH2+]CC1 82666839 573151286 /nfs/dbraw/zinc/15/12/86/573151286.db2.gz UQLDRQSPNFMACR-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH3+])C(C)(C)C[N@@H+]1CCCC1(C)C 85679537 573113863 /nfs/dbraw/zinc/11/38/63/573113863.db2.gz LNRGHKSFJIEGCH-SNVBAGLBSA-N 2 0 198.354 2.234 10 0 AEAERP [NH3+]C1(CC[NH+]2CCCC2)CCCCC1 82772807 573183760 /nfs/dbraw/zinc/18/37/60/573183760.db2.gz FXOWECARFNQYAC-UHFFFAOYSA-N 2 0 196.338 2.134 10 0 AEAERP C[C@H]1CCC[N@@H+]1CCC1([NH3+])CCCC1 82773011 573184414 /nfs/dbraw/zinc/18/44/14/573184414.db2.gz GCJROYAXGDSZLW-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CC(C)[NH+]1CCC(C[C@@H](C)C[NH3+])CC1 259368098 573201009 /nfs/dbraw/zinc/20/10/09/573201009.db2.gz GGAQSMRTEMSBPM-LLVKDONJSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[NH+]1CCC(C)(C)CC1 82802257 573202831 /nfs/dbraw/zinc/20/28/31/573202831.db2.gz VZQSJODCPMKCSS-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[N@@H+]1CCCC(C)(C)C1 82803352 573203233 /nfs/dbraw/zinc/20/32/33/573203233.db2.gz SVMIXKIBIVHWBD-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[N@@H+]1CCCC(C)(C)C1 82803348 573203317 /nfs/dbraw/zinc/20/33/17/573203317.db2.gz SVMIXKIBIVHWBD-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP Cc1ccc([C@H]([NH3+])C[C@@H](C)[NH3+])cc1C 259370642 573203442 /nfs/dbraw/zinc/20/34/42/573203442.db2.gz MSPJGKPZOJFFGU-ZYHUDNBSSA-N 2 0 192.306 2.041 10 0 AEAERP CCC[C@@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802704 573203443 /nfs/dbraw/zinc/20/34/43/573203443.db2.gz JSDLFSMZJPALCP-MXWKQRLJSA-N 2 0 186.343 2.233 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[N@@H+]1CCCC(C)(C)C1 82803350 573203578 /nfs/dbraw/zinc/20/35/78/573203578.db2.gz SVMIXKIBIVHWBD-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)C[N@H+](CCC[NH3+])C1CC1 129101456 573230091 /nfs/dbraw/zinc/23/00/91/573230091.db2.gz WOSOIBHKNDXVNN-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[N@H+]1CC=C(CCCC[NH2+]C)CC1 258240980 573230153 /nfs/dbraw/zinc/23/01/53/573230153.db2.gz XDMBBKZODWCTEV-UHFFFAOYSA-N 2 0 196.338 2.028 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@]1(C)CCCC[NH2+]1 308525623 573230381 /nfs/dbraw/zinc/23/03/81/573230381.db2.gz IXFYGYWVCNVTFU-RYUDHWBXSA-N 2 0 198.354 2.297 10 0 AEAERP CC(C)[N@@H+]1CC[C@@H](CC[NH3+])CC1(C)C 259389471 573237361 /nfs/dbraw/zinc/23/73/61/573237361.db2.gz LRISEGICRPBNBB-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP C[NH2+]CC1(C[NH2+]CC(C)(C)C)CCC1 259041795 573239349 /nfs/dbraw/zinc/23/93/49/573239349.db2.gz RJNWPMPYGUMZJP-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH+](C)C 308526143 573239598 /nfs/dbraw/zinc/23/95/98/573239598.db2.gz QSLPXYIYNPVCEU-SDDRHHMPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH+](CC)CC[C@H](C)[NH2+]C1CCC1 308523061 573247291 /nfs/dbraw/zinc/24/72/91/573247291.db2.gz PSXJUFBBLJNQHM-NSHDSACASA-N 2 0 198.354 2.249 10 0 AEAERP CCC1(CC)C[NH+]([C@H](C)CCC[NH3+])C1 308523550 573247318 /nfs/dbraw/zinc/24/73/18/573247318.db2.gz ZMXRWNCIAOBKMY-LLVKDONJSA-N 2 0 198.354 2.236 10 0 AEAERP CC[NH2+][C@@H](C)C[NH2+]C1CC(C(C)C)C1 714661767 573247415 /nfs/dbraw/zinc/24/74/15/573247415.db2.gz WUIJCQFAPJFBFD-UNXYVOJBSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H]1CC[C@H]1[NH2+]CCC[NH2+]C(C)(C)C 308529442 573251644 /nfs/dbraw/zinc/25/16/44/573251644.db2.gz KIXUFFKVAAJWGF-GHMZBOCLSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(C)(C)C 42747235 573251955 /nfs/dbraw/zinc/25/19/55/573251955.db2.gz QHBMPSCAYFVZOJ-UWVGGRQHSA-N 2 0 186.343 2.090 10 0 AEAERP C[C@H](CCC[NH+](C)C)[NH2+]C(C)(C)C 308337662 573271116 /nfs/dbraw/zinc/27/11/16/573271116.db2.gz OXDUPVVBQJHISI-SNVBAGLBSA-N 2 0 186.343 2.105 10 0 AEAERP CC(C)[N@H+](C)C[C@@H]([NH3+])CC1CCCC1 74236808 573271365 /nfs/dbraw/zinc/27/13/65/573271365.db2.gz QGUDTTQIXMLBOD-LBPRGKRZSA-N 2 0 198.354 2.234 10 0 AEAERP CCC1(CC)C[NH+](CC(C)(C)C[NH3+])C1 129234215 573271740 /nfs/dbraw/zinc/27/17/40/573271740.db2.gz MGVXWPSROIAIGN-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC[N@H+](CC(C)(C)C[NH3+])[C@H]1CC[C@@H]1C 308535218 573274127 /nfs/dbraw/zinc/27/41/27/573274127.db2.gz MAHFGVUNLJZLMI-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC[C@H](C)[NH2+]CC[NH2+]CC1CC1 50890065 573291785 /nfs/dbraw/zinc/29/17/85/573291785.db2.gz GVSXTEYVEVKCIM-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP CCCC[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]1 50889995 573294852 /nfs/dbraw/zinc/29/48/52/573294852.db2.gz CRLWKZSDXUJJIO-RYUDHWBXSA-N 2 0 198.354 2.297 10 0 AEAERP CCC[C@@H]1CCCC[N@@H+]1C/C=C\C[NH3+] 308342520 573299353 /nfs/dbraw/zinc/29/93/53/573299353.db2.gz IYOPQOLXBDXJAU-TXNVCOODSA-N 2 0 196.338 2.156 10 0 AEAERP CC[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])CCC1(C)C 259409979 573303127 /nfs/dbraw/zinc/30/31/27/573303127.db2.gz MTWBLTGSSOILOY-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CCc1nc([C@H]([NH3+])CC(C)C)c[nH]1 74301468 573303141 /nfs/dbraw/zinc/30/31/41/573303141.db2.gz RDQNTMLGYHKBCR-MRVPVSSYSA-N 2 0 181.283 2.018 10 0 AEAERP CCCC[N@@H+]1CCC[NH2+]C(C)(C)CC1 259410016 573303232 /nfs/dbraw/zinc/30/32/32/573303232.db2.gz MUTCTBCLMICQGO-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CC[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 82941417 573313267 /nfs/dbraw/zinc/31/32/67/573313267.db2.gz ZFQHHTJDCSAPFM-UHFFFAOYSA-N 2 0 196.338 2.005 10 0 AEAERP CC[C@H](C)C[C@](CC)(C[NH3+])[NH+]1CCC1 308547273 573313312 /nfs/dbraw/zinc/31/33/12/573313312.db2.gz QDIPYGAJLYLXMH-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[C@H](CCC(C)(C)[NH3+])[NH+](C)C 259413681 573313413 /nfs/dbraw/zinc/31/34/13/573313413.db2.gz HTMIFQXYIUSJTO-JTQLQIEISA-N 2 0 186.343 2.090 10 0 AEAERP CCCC[N@@H+]1CC(C)(C)NCC[C@H]1C 82942950 573313629 /nfs/dbraw/zinc/31/36/29/573313629.db2.gz CDRHEOFZCIDSQV-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP C[C@@H](CCC[C@@H](C)[NH3+])C[NH+]1CC=CC1 308546701 573313683 /nfs/dbraw/zinc/31/36/83/573313683.db2.gz PNXVJWNVQPKNCN-NWDGAFQWSA-N 2 0 196.338 2.012 10 0 AEAERP CC[C@H]1C[N@H+](CC(C)C)[C@H](C)CCN1 82943341 573313741 /nfs/dbraw/zinc/31/37/41/573313741.db2.gz LQKTYXFSDYPNKW-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@]1(C)C[N@H+](C(C)C)[C@H](C)CCN1 82943603 573314607 /nfs/dbraw/zinc/31/46/07/573314607.db2.gz CFZZPNPSPQUYLB-VXGBXAGGSA-N 2 0 198.354 2.247 10 0 AEAERP CC(C)[C@@H](CCC(C)(C)[NH3+])[NH+](C)C 259413685 573314943 /nfs/dbraw/zinc/31/49/43/573314943.db2.gz HTMIFQXYIUSJTO-SNVBAGLBSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)[N@@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 82941772 573315022 /nfs/dbraw/zinc/31/50/22/573315022.db2.gz RPLHAIKAWXNQSP-LLVKDONJSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1(C)C 259415231 573315032 /nfs/dbraw/zinc/31/50/32/573315032.db2.gz NBQNVGDNWNMIKH-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC1(C)C[C@H]([NH+]2CCCCC2)CC[NH2+]1 106873908 573324493 /nfs/dbraw/zinc/32/44/93/573324493.db2.gz FVTBBSPBXVZNMB-LLVKDONJSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)CC[N@@H+]1CC[C@@H]([NH3+])CC1(C)C 106876253 573324567 /nfs/dbraw/zinc/32/45/67/573324567.db2.gz QBPLJCPHCKXFQL-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H]([NH3+])CC1(C)C 259417362 573326636 /nfs/dbraw/zinc/32/66/36/573326636.db2.gz NEKAXDDGRQBNMI-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+][C@H](CC(C)(C)C[NH3+])C1CCCC1 259419714 573328727 /nfs/dbraw/zinc/32/87/27/573328727.db2.gz NKDFNAVZLXBZRV-LLVKDONJSA-N 2 0 198.354 2.140 10 0 AEAERP CCCCC[N@@H+]1CC[C@H]([NH3+])CC1(C)C 259417367 573329640 /nfs/dbraw/zinc/32/96/40/573329640.db2.gz NEKAXDDGRQBNMI-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP C[C@]1(C[C@@H]2CCCC[NH2+]2)CCCC[NH2+]1 258002898 573331535 /nfs/dbraw/zinc/33/15/35/573331535.db2.gz AMRQYQUYWCAQFK-NWDGAFQWSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@]1(C[C@H]2CCCC[NH2+]2)CCCC[NH2+]1 258002902 573331566 /nfs/dbraw/zinc/33/15/66/573331566.db2.gz AMRQYQUYWCAQFK-VXGBXAGGSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@H]1CCCCC[C@@H]1[NH2+]C[C@H](C)C[NH3+] 308560720 573334686 /nfs/dbraw/zinc/33/46/86/573334686.db2.gz FADSHUCSQTUYOT-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCCC[C@H]1C 308560718 573337803 /nfs/dbraw/zinc/33/78/03/573337803.db2.gz FADSHUCSQTUYOT-IJLUTSLNSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]1 308559709 573337832 /nfs/dbraw/zinc/33/78/32/573337832.db2.gz WMXODLABPYWSRI-VXGBXAGGSA-N 2 0 198.354 2.153 10 0 AEAERP C[C@H](CC[NH3+])C[NH2+][C@H]1CCC(C)(C)C1 129541644 573342243 /nfs/dbraw/zinc/34/22/43/573342243.db2.gz JYRRJALJVXQNFP-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH2+]C[C@H]1CCC[N@@H+]1C1CCCC1 129581578 573342408 /nfs/dbraw/zinc/34/24/08/573342408.db2.gz TXQZLWVQVDRXGF-GFCCVEGCSA-N 2 0 196.338 2.003 10 0 AEAERP CC[C@H](C)[NH2+]CC[C@H]([NH3+])C(C)(C)C 129598868 573347274 /nfs/dbraw/zinc/34/72/74/573347274.db2.gz DWRZRJMZTKVHMJ-UWVGGRQHSA-N 2 0 186.343 2.138 10 0 AEAERP CC[C@@H]1CCCCC[N@@H+]1C/C=C\C[NH3+] 308358351 573348225 /nfs/dbraw/zinc/34/82/25/573348225.db2.gz ANHWZCFHRXUEGW-SMYYYNMVSA-N 2 0 196.338 2.156 10 0 AEAERP CCCCC[NH2+]CCC(C)(C)C[NH3+] 258635745 573357307 /nfs/dbraw/zinc/35/73/07/573357307.db2.gz DONIVUHJIMMAFI-UHFFFAOYSA-N 2 0 186.343 2.141 10 0 AEAERP C[C@@H](C[NH3+])[C@@H](C)[N@@H+]1CCCC(C)(C)C1 86312688 573357913 /nfs/dbraw/zinc/35/79/13/573357913.db2.gz SDEPJWISXMEQDK-WDEREUQCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86304717 573361772 /nfs/dbraw/zinc/36/17/72/573361772.db2.gz CZTKFMNYWLRJKL-USZNOCQGSA-N 2 0 198.354 2.090 10 0 AEAERP C[NH2+][C@@H](C)CCCC[N@@H+]1CCC[C@@H]1C 223271016 573362064 /nfs/dbraw/zinc/36/20/64/573362064.db2.gz AUNDKSNORTXAHJ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[N@@H+]1CCC[C@@H]1C[C@]1(C)CCC[NH2+]1 258312375 573366103 /nfs/dbraw/zinc/36/61/03/573366103.db2.gz VNDSCQZPBWFLQU-NEPJUHHUSA-N 2 0 196.338 2.003 10 0 AEAERP CC[N@@H+]1CCC[C@H]1C[C@@]1(C)CCC[NH2+]1 258312379 573366171 /nfs/dbraw/zinc/36/61/71/573366171.db2.gz VNDSCQZPBWFLQU-NWDGAFQWSA-N 2 0 196.338 2.003 10 0 AEAERP CC1(C)C[C@@H]1[NH2+]CC[C@@H]([NH3+])C(C)(C)C 129611178 573366348 /nfs/dbraw/zinc/36/63/48/573366348.db2.gz HIBWNQCZTSFGST-ZJUUUORDSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](CC)C1 133097366 573371017 /nfs/dbraw/zinc/37/10/17/573371017.db2.gz BSPLWZPPFMWXSI-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CCCC(C)(C)C 308565718 573379218 /nfs/dbraw/zinc/37/92/18/573379218.db2.gz APXSVSPGRAKYCR-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CC[NH+](CC)[C@H](C)C[C@@H]1CCCC[NH2+]1 126150958 573379303 /nfs/dbraw/zinc/37/93/03/573379303.db2.gz MHVLJLHXHYHARJ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH+](CC)[C@@H](C)C[C@@H]1CCCC[NH2+]1 126150736 573379509 /nfs/dbraw/zinc/37/95/09/573379509.db2.gz MHVLJLHXHYHARJ-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C(C)C 308565773 573379839 /nfs/dbraw/zinc/37/98/39/573379839.db2.gz APZZLKOWLCDQLI-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[NH2+]CC[NH2+]C[C@@H](C)C1CC1 133213124 573383847 /nfs/dbraw/zinc/38/38/47/573383847.db2.gz TWAWLIWBSNFLIX-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP CCCC[C@@H]([NH3+])C[NH2+]C[C@H](C)C1CC1 133214517 573384230 /nfs/dbraw/zinc/38/42/30/573384230.db2.gz BMSZAVOJFHMTPF-CMPLNLGQSA-N 2 0 198.354 2.140 10 0 AEAERP CCC[C@@H]([NH3+])CC[NH2+]C[C@H](C)C1CC1 133210458 573384425 /nfs/dbraw/zinc/38/44/25/573384425.db2.gz YUXDQYJVPIKHEX-CMPLNLGQSA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH2+][C@@H](C)CC[NH2+]C[C@H](C)C1CC1 133202214 573385901 /nfs/dbraw/zinc/38/59/01/573385901.db2.gz RSQMTKOWOKEAIW-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](C)[NH2+]CC[NH2+]C[C@@H](C)C1CC1 133213286 573386073 /nfs/dbraw/zinc/38/60/73/573386073.db2.gz TWAWLIWBSNFLIX-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CC[NH2+][C@H](C)CC[NH2+]C[C@@H](C)C1CC1 133202098 573386321 /nfs/dbraw/zinc/38/63/21/573386321.db2.gz RSQMTKOWOKEAIW-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP C[N@@H+]1CCCC[C@H]1CCC1([NH3+])CCC1 258012328 573388422 /nfs/dbraw/zinc/38/84/22/573388422.db2.gz MVXWTIIOANDCGN-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP CCCC[C@@H](CC)C[NH2+]C/C=C\C[NH3+] 308572835 573397939 /nfs/dbraw/zinc/39/79/39/573397939.db2.gz FUWYDNLHYMJPGT-ZHRWSRJISA-N 2 0 198.354 2.307 10 0 AEAERP CC[C@H](C)[C@@H]([NH3+])CC[NH+](CC)CC 86392842 573399320 /nfs/dbraw/zinc/39/93/20/573399320.db2.gz NARKTSLYDJZDGO-QWRGUYRKSA-N 2 0 186.343 2.092 10 0 AEAERP CC1(C[NH2+][C@@H]2CC[C@@H]([NH3+])C2)CCCC1 86400635 573406655 /nfs/dbraw/zinc/40/66/55/573406655.db2.gz LKRMJKOLSDFHPY-GHMZBOCLSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])C1)C1CCCC1 86400780 573406687 /nfs/dbraw/zinc/40/66/87/573406687.db2.gz FARAIUMTWNXNHH-USWWRNFRSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]([NH3+])C[NH2+]CC(C)(C)C1CCCC1 258646201 573413110 /nfs/dbraw/zinc/41/31/10/573413110.db2.gz ABIGIEAMABZTRD-SNVBAGLBSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+][C@@H](c1cccc(C[NH3+])c1)C(C)C 259442222 573412472 /nfs/dbraw/zinc/41/24/72/573412472.db2.gz OOTRIZDHEFIMCI-GFCCVEGCSA-N 2 0 192.306 2.062 10 0 AEAERP CC(C)(C)C(C)(C)[NH2+]C[C@@H]1CCC[NH2+]1 308577013 573412601 /nfs/dbraw/zinc/41/26/01/573412601.db2.gz NCIHAWPIIQNXIG-JTQLQIEISA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@]1(CC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 258338835 573417186 /nfs/dbraw/zinc/41/71/86/573417186.db2.gz XQKCDYLEMFRAPG-NWDGAFQWSA-N 2 0 196.338 2.051 10 0 AEAERP CC[C@]1(CC[C@H]2CCC[NH2+]2)CCC[NH2+]1 258338840 573417192 /nfs/dbraw/zinc/41/71/92/573417192.db2.gz XQKCDYLEMFRAPG-VXGBXAGGSA-N 2 0 196.338 2.051 10 0 AEAERP C[N@@H+](C1CCCCC1)[C@@H]1CC[C@H]([NH3+])C1 86409770 573419356 /nfs/dbraw/zinc/41/93/56/573419356.db2.gz WARJIFHTMYZWRM-CMPLNLGQSA-N 2 0 196.338 2.131 10 0 AEAERP [NH3+][C@H]1CC[C@@H]([NH+]2CCCCCCC2)C1 86409986 573419492 /nfs/dbraw/zinc/41/94/92/573419492.db2.gz BNHCBVSBKNTSLR-NWDGAFQWSA-N 2 0 196.338 2.132 10 0 AEAERP C[N@@H+]1CCC[C@H]1CC[C@]1(C)CCC[NH2+]1 258338781 573419872 /nfs/dbraw/zinc/41/98/72/573419872.db2.gz XQASKAUDNSUSPC-RYUDHWBXSA-N 2 0 196.338 2.003 10 0 AEAERP CC(C)(C)CC[NH2+]CC1CC[NH2+]CC1 129973843 573420499 /nfs/dbraw/zinc/42/04/99/573420499.db2.gz SUOZISUNIAAKDQ-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP CC1(C)CCC[N@@H+]1[C@@H]1CCC[C@H]([NH3+])C1 86432818 573423837 /nfs/dbraw/zinc/42/38/37/573423837.db2.gz ZDIIHVKSJGZRCU-WDEREUQCSA-N 2 0 196.338 2.131 10 0 AEAERP CC1(C)CCC[N@@H+]1[C@H]1CCC[C@H]([NH3+])C1 86432819 573424254 /nfs/dbraw/zinc/42/42/54/573424254.db2.gz ZDIIHVKSJGZRCU-QWRGUYRKSA-N 2 0 196.338 2.131 10 0 AEAERP CCC(C)(C)[N@H+](C)[C@H]1CCC[C@H]([NH3+])C1 86432918 573424320 /nfs/dbraw/zinc/42/43/20/573424320.db2.gz BSTVISXRZUDHOT-QWRGUYRKSA-N 2 0 198.354 2.377 10 0 AEAERP CCC[NH+](CCC)CC[C@@H]([NH3+])C1CC1 130005482 573424831 /nfs/dbraw/zinc/42/48/31/573424831.db2.gz YFQFDAQPRPGZTF-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[N@H+](C)CC[C@@H]([NH3+])C1CC1 130019428 573425145 /nfs/dbraw/zinc/42/51/45/573425145.db2.gz ZETHMICSFFIQHW-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C[NH3+])n1cncc1C1CCC1 133700819 573425169 /nfs/dbraw/zinc/42/51/69/573425169.db2.gz ZNRVSBMUXIDXTD-JTQLQIEISA-N 2 0 193.294 2.060 10 0 AEAERP CC(C)(C[NH3+])C[C@@H]([NH3+])c1cccs1 259447666 573427152 /nfs/dbraw/zinc/42/71/52/573427152.db2.gz QGWJKLZMTSHBBO-MRVPVSSYSA-N 2 0 198.335 2.123 10 0 AEAERP CC(C)(C[NH3+])C[C@H]([NH3+])c1cccs1 259447668 573427224 /nfs/dbraw/zinc/42/72/24/573427224.db2.gz QGWJKLZMTSHBBO-QMMMGPOBSA-N 2 0 198.335 2.123 10 0 AEAERP CCCC[N@H+](CC)[C@H](CC)CC(N)=[NH2+] 137540864 573427553 /nfs/dbraw/zinc/42/75/53/573427553.db2.gz GSZUVAAJKDCUTD-SNVBAGLBSA-N 2 0 199.342 2.213 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CC[C@H]([NH3+])C1CC1 130019627 573427756 /nfs/dbraw/zinc/42/77/56/573427756.db2.gz CWOLDHBLUDXDSI-PWSUYJOCSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@H](C)[NH2+]CC[C@H]1CCCC[C@H]1[NH3+] 308581278 573431387 /nfs/dbraw/zinc/43/13/87/573431387.db2.gz PGORISQPOVMXLE-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](C)[NH2+]CC[C@@H]1CCCC[C@H]1[NH3+] 308581279 573431009 /nfs/dbraw/zinc/43/10/09/573431009.db2.gz PGORISQPOVMXLE-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@@H]([NH3+])c1ccc2c(c1)CCC[C@@H]2[NH3+] 238394656 573434138 /nfs/dbraw/zinc/43/41/38/573434138.db2.gz OEISVPFPFZIURH-PELKAZGASA-N 2 0 190.290 2.042 10 0 AEAERP C[C@@H]([NH3+])c1ccc2c(c1)CCC[C@H]2[NH3+] 238394670 573434381 /nfs/dbraw/zinc/43/43/81/573434381.db2.gz OEISVPFPFZIURH-PRHODGIISA-N 2 0 190.290 2.042 10 0 AEAERP C[C@H](CCC[NH+](C)C)[NH2+]CCC1CC1 308580916 573434482 /nfs/dbraw/zinc/43/44/82/573434482.db2.gz PFDVGCGCLHMLPZ-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@H+](C)CC[C@@H]([NH3+])C1CC1 130048497 573446902 /nfs/dbraw/zinc/44/69/02/573446902.db2.gz YUNQKEOZSLPWPE-GFCCVEGCSA-N 2 0 198.354 2.092 10 0 AEAERP CCCC1CC[NH+](CCCC[NH3+])CC1 50893178 573446633 /nfs/dbraw/zinc/44/66/33/573446633.db2.gz XRBDQZVZGJYVIM-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CC(C)CC[N@H+](C)CC[C@H]([NH3+])C1CC1 130048290 573446667 /nfs/dbraw/zinc/44/66/67/573446667.db2.gz YUNQKEOZSLPWPE-LBPRGKRZSA-N 2 0 198.354 2.092 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+][C@@H]1CC[C@@H]1C 308582802 573468958 /nfs/dbraw/zinc/46/89/58/573468958.db2.gz HGYKCNBMJJRPBN-SDDRHHMPSA-N 2 0 198.354 2.140 10 0 AEAERP CCCC(C)(C)C[NH2+]CC[C@@H](C)[NH3+] 258664117 573469184 /nfs/dbraw/zinc/46/91/84/573469184.db2.gz CAZDPAGVAPGMPZ-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP CCCC(C)(C)C[NH2+]CC[C@H](C)[NH3+] 258664115 573469389 /nfs/dbraw/zinc/46/93/89/573469389.db2.gz CAZDPAGVAPGMPZ-JTQLQIEISA-N 2 0 186.343 2.140 10 0 AEAERP [NH3+][C@@H](C[C@@H]1CCC[NH2+]1)C1CCCCC1 259465521 573469532 /nfs/dbraw/zinc/46/95/32/573469532.db2.gz RHGKTYXJKFGNTI-RYUDHWBXSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+][C@@H]1CC[C@H]1C 308582801 573470118 /nfs/dbraw/zinc/47/01/18/573470118.db2.gz HGYKCNBMJJRPBN-QJPTWQEYSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@H](CC[NH3+])CCC[NH2+][C@H]1CC[C@H]1C 308582804 573470740 /nfs/dbraw/zinc/47/07/40/573470740.db2.gz HGYKCNBMJJRPBN-TUAOUCFPSA-N 2 0 198.354 2.140 10 0 AEAERP [NH3+][C@H](C[C@@H]1CCC[NH2+]1)C1CCCCC1 259465518 573473017 /nfs/dbraw/zinc/47/30/17/573473017.db2.gz RHGKTYXJKFGNTI-NWDGAFQWSA-N 2 0 196.338 2.036 10 0 AEAERP C[NH2+]CC1(C[NH2+]CCC(C)C)CCC1 258667340 573473018 /nfs/dbraw/zinc/47/30/18/573473018.db2.gz OFGYOGLPPIAXAC-UHFFFAOYSA-N 2 0 198.354 2.012 10 0 AEAERP [NH3+][C@@H](C[C@H]1CCC[NH2+]1)C1CCCCC1 259465514 573473202 /nfs/dbraw/zinc/47/32/02/573473202.db2.gz RHGKTYXJKFGNTI-NEPJUHHUSA-N 2 0 196.338 2.036 10 0 AEAERP [NH3+][C@H](C[C@H]1CCC[NH2+]1)C1CCCCC1 259465524 573474809 /nfs/dbraw/zinc/47/48/09/573474809.db2.gz RHGKTYXJKFGNTI-VXGBXAGGSA-N 2 0 196.338 2.036 10 0 AEAERP CC1([NH2+]CC[C@H]([NH3+])C2CC2)CCCC1 130116480 573475193 /nfs/dbraw/zinc/47/51/93/573475193.db2.gz OZUWMTMUBGRRDB-NSHDSACASA-N 2 0 196.338 2.036 10 0 AEAERP C[NH2+][C@@H](CC(C)C)C[C@H]1CCCC[NH2+]1 259466539 573475746 /nfs/dbraw/zinc/47/57/46/573475746.db2.gz PWWGKXLTUWXJIH-NEPJUHHUSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)(C)[N@@H+]1CC[C@H](C[NH3+])CC1(C)C 259468909 573479650 /nfs/dbraw/zinc/47/96/50/573479650.db2.gz QOKAGZBDLTYMSL-JTQLQIEISA-N 2 0 198.354 2.234 10 0 AEAERP CCC(CC)[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 686245040 573485844 /nfs/dbraw/zinc/48/58/44/573485844.db2.gz ZIFMXFYOFNQLSR-VHSXEESVSA-N 2 0 198.354 2.009 10 0 AEAERP [NH3+]C1CCC([C@@H]([NH3+])C2CCCC2)CC1 259470674 573486526 /nfs/dbraw/zinc/48/65/26/573486526.db2.gz RRMUOIVATNOCPT-MCIGGMRASA-N 2 0 196.338 2.021 10 0 AEAERP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 130199913 573486594 /nfs/dbraw/zinc/48/65/94/573486594.db2.gz MXXUZOCUTSFMDJ-GRYCIOLGSA-N 2 0 196.338 2.001 10 0 AEAERP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 130199476 573486628 /nfs/dbraw/zinc/48/66/28/573486628.db2.gz MXXUZOCUTSFMDJ-IJLUTSLNSA-N 2 0 196.338 2.001 10 0 AEAERP C[NH2+]C/C=C\[C@H]1CCCC[N@@H+]1C(C)C 258040146 573490754 /nfs/dbraw/zinc/49/07/54/573490754.db2.gz CLOPODVAUWKIFV-XYLWRLHESA-N 2 0 196.338 2.025 10 0 AEAERP C[NH2+][C@H](CC[C@@H](C)[NH3+])c1ccccc1 259473467 573494077 /nfs/dbraw/zinc/49/40/77/573494077.db2.gz QESVHXGWWWFFPW-ZYHUDNBSSA-N 2 0 192.306 2.075 10 0 AEAERP [NH3+]C1(CC[C@@H]2CCCC[NH2+]2)CCCC1 258041767 573494193 /nfs/dbraw/zinc/49/41/93/573494193.db2.gz OMMPWYQXNAABAR-NSHDSACASA-N 2 0 196.338 2.180 10 0 AEAERP CC(C)[N@@H+]1CCC[C@H]1C/C=C\CC[NH3+] 258043720 573494207 /nfs/dbraw/zinc/49/42/07/573494207.db2.gz CPMPRHMYCJTPQC-VSQXVHSFSA-N 2 0 196.338 2.154 10 0 AEAERP C[N@@H+]1CCCC[C@@H]1C1([NH3+])CCCCC1 258041651 573494377 /nfs/dbraw/zinc/49/43/77/573494377.db2.gz OLELRCPMNNCOJE-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CC(C)[N@@H+]1CCC/C(=C\CC[NH3+])CC1 83424084 573494409 /nfs/dbraw/zinc/49/44/09/573494409.db2.gz ZIDDQZMGFFUTRJ-LFYBBSHMSA-N 2 0 196.338 2.156 10 0 AEAERP Cc1ccc([C@@H]([NH3+])C[C@H](C)[NH3+])c(C)c1 259110490 573500443 /nfs/dbraw/zinc/50/04/43/573500443.db2.gz BLRUXLYYMWZNIK-JQWIXIFHSA-N 2 0 192.306 2.041 10 0 AEAERP CCC1(C[NH2+]C/C=C\C[NH3+])CCCC1 308607399 573500785 /nfs/dbraw/zinc/50/07/85/573500785.db2.gz WXKZGTFNEQIHTQ-WAYWQWQTSA-N 2 0 196.338 2.061 10 0 AEAERP C[NH2+][C@H]1CC[C@@H]([N@@H+]2CCCC2(C)C)C1 86619445 573519836 /nfs/dbraw/zinc/51/98/36/573519836.db2.gz RVOVEADAMHRTAG-WDEREUQCSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)[NH2+]CCCC[NH2+][C@@H]1CC[C@H]1C 308602831 573519236 /nfs/dbraw/zinc/51/92/36/573519236.db2.gz OTNWSOJWTFRYIA-VXGBXAGGSA-N 2 0 198.354 2.153 10 0 AEAERP C[NH2+][C@H]1CC[C@H]([N@H+](C)C2CCCC2)C1 86618722 573519288 /nfs/dbraw/zinc/51/92/88/573519288.db2.gz FRASXKLBFKNZSC-JQWIXIFHSA-N 2 0 196.338 2.001 10 0 AEAERP CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 258733481 573519367 /nfs/dbraw/zinc/51/93/67/573519367.db2.gz HGDUHMLUNNDFHM-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP C[N@@H+]1CCC[C@@H]1CC1([NH3+])CCCCC1 258054071 573536803 /nfs/dbraw/zinc/53/68/03/573536803.db2.gz PFOOWYQXAXLISA-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP C[NH2+][C@@H](C[C@@H]1CCCC[NH2+]1)C(C)(C)C 259493475 573537407 /nfs/dbraw/zinc/53/74/07/573537407.db2.gz RMXGDTKQAZTNIY-QWRGUYRKSA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)C[C@@H](C[C@H]1CCC[NH2+]1)[NH+](C)C 259494088 573537569 /nfs/dbraw/zinc/53/75/69/573537569.db2.gz LIMOQBHLLBWTSY-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+][C@@H](C[C@H]1CCCC[NH2+]1)C(C)(C)C 259493473 573537969 /nfs/dbraw/zinc/53/79/69/573537969.db2.gz RMXGDTKQAZTNIY-MNOVXSKESA-N 2 0 198.354 2.153 10 0 AEAERP CC(C)[N@@H+]1CCCC[C@H]1/C=C\CC[NH3+] 258056383 573538109 /nfs/dbraw/zinc/53/81/09/573538109.db2.gz DJYQNKXXCDFASL-AUXFESMGSA-N 2 0 196.338 2.154 10 0 AEAERP CCCCC[NH2+]CC1(C[NH2+]C)CCC1 258764443 573546182 /nfs/dbraw/zinc/54/61/82/573546182.db2.gz YEVKGIZZJKGFLI-UHFFFAOYSA-N 2 0 198.354 2.156 10 0 AEAERP C/C=C\CN1CCC[C@H]([NH2+]C(C)C)C1 308629125 573549620 /nfs/dbraw/zinc/54/96/20/573549620.db2.gz YFAGUBYLNSMLIX-RXNFCKPNSA-N 2 0 196.338 2.025 10 0 AEAERP CC[C@@H](CC[NH+](CC)CC)[C@@H](C)[NH3+] 238262686 573549663 /nfs/dbraw/zinc/54/96/63/573549663.db2.gz YKNHBSKPUQZHHN-MNOVXSKESA-N 2 0 186.343 2.092 10 0 AEAERP C[NH+](C)[C@@H]1CCCCC[C@@H]1CCC[NH3+] 82384160 573555286 /nfs/dbraw/zinc/55/52/86/573555286.db2.gz QPEKNQMFFZSDKV-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 86678583 573560672 /nfs/dbraw/zinc/56/06/72/573560672.db2.gz XTMJWAYMMLDOGO-GARJFASQSA-N 2 0 184.327 2.035 10 0 AEAERP Cc1ccc(C)c([C@H]([NH3+])CCC[NH3+])c1 259511610 573565612 /nfs/dbraw/zinc/56/56/12/573565612.db2.gz VGJCGIOUDGZHFE-GFCCVEGCSA-N 2 0 192.306 2.042 10 0 AEAERP CCN(CC)[C@H](C)C[NH2+][C@H]1CC[C@@H]1C 308633473 573565761 /nfs/dbraw/zinc/56/57/61/573565761.db2.gz ZZSPMWYYKAXFPG-TUAOUCFPSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C[NH2+][C@H](C)C1CCC1)N(C)C 308625536 573565945 /nfs/dbraw/zinc/56/59/45/573565945.db2.gz VWILEJDYDFLMFC-PWSUYJOCSA-N 2 0 198.354 2.105 10 0 AEAERP CCN(CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]1C 308633471 573568341 /nfs/dbraw/zinc/56/83/41/573568341.db2.gz ZZSPMWYYKAXFPG-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H]1CCN(CC(CC)CC)C1 130383902 573568574 /nfs/dbraw/zinc/56/85/74/573568574.db2.gz WJFFHGCLBRFVEK-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H](C[NH3+])C[NH2+]CCC1(C)CCCC1 308624444 573568609 /nfs/dbraw/zinc/56/86/09/573568609.db2.gz ZPHIPWAGLDSWMI-LLVKDONJSA-N 2 0 198.354 2.141 10 0 AEAERP CC[NH2+][C@@H]1CCN(CC(CC)CC)C1 130384116 573568637 /nfs/dbraw/zinc/56/86/37/573568637.db2.gz WJFFHGCLBRFVEK-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H](C[NH2+][C@H](C)C1CCC1)N(C)C 308625537 573568948 /nfs/dbraw/zinc/56/89/48/573568948.db2.gz VWILEJDYDFLMFC-ZYHUDNBSSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@H+](C)CCC(C)(C)C[NH3+] 83636841 573573328 /nfs/dbraw/zinc/57/33/28/573573328.db2.gz AKZLHWOWRWKRBB-UHFFFAOYSA-N 2 0 186.343 2.093 10 0 AEAERP C[C@H]([NH3+])c1ccc2c(c1)[C@@H]([NH3+])CCC2 238445185 573576973 /nfs/dbraw/zinc/57/69/73/573576973.db2.gz AOOPXOWELAZUBO-UFBFGSQYSA-N 2 0 190.290 2.042 10 0 AEAERP CCC(CC)C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 130435167 573576993 /nfs/dbraw/zinc/57/69/93/573576993.db2.gz WCSKZECFRYHXPU-NWDGAFQWSA-N 2 0 198.354 2.140 10 0 AEAERP C[N@H+](CC1CCC1)CC(C)(C)CC[NH3+] 258792684 573577006 /nfs/dbraw/zinc/57/70/06/573577006.db2.gz CEAHYSPXCIXELW-UHFFFAOYSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)=CC[NH2+][C@@H](C)CCC[NH+](C)C 308637384 573583757 /nfs/dbraw/zinc/58/37/57/573583757.db2.gz CUQIMZCYUNSKAT-LBPRGKRZSA-N 2 0 198.354 2.273 10 0 AEAERP C[C@@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1CCCCC1 308637366 573583924 /nfs/dbraw/zinc/58/39/24/573583924.db2.gz BLOCXECDQSJXJN-GMTAPVOTSA-N 2 0 198.354 2.281 10 0 AEAERP C[C@H](C[NH3+])C[N@H+](C)CCC1CCCC1 258805094 573583956 /nfs/dbraw/zinc/58/39/56/573583956.db2.gz RSRWIKYDUFSVNV-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@H](CC[NH+](C)C)[NH2+]CCC1(C)CC1 308637409 573584062 /nfs/dbraw/zinc/58/40/62/573584062.db2.gz CUXMWAYZATVKDY-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC(CC)C[NH2+]CCC[C@@H](C)[NH3+] 130458185 573584211 /nfs/dbraw/zinc/58/42/11/573584211.db2.gz NRQROLSWMAHCNX-SNVBAGLBSA-N 2 0 186.343 2.140 10 0 AEAERP C[NH2+]C(C)(C)C[NH2+]CCCC(C)C 258797446 573585805 /nfs/dbraw/zinc/58/58/05/573585805.db2.gz DDMVDIHHUDCWSP-UHFFFAOYSA-N 2 0 186.343 2.010 10 0 AEAERP C[C@@H](C[NH3+])C[N@H+](C)CCC1CCCC1 258805096 573586253 /nfs/dbraw/zinc/58/62/53/573586253.db2.gz RSRWIKYDUFSVNV-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCCc1[nH+]c([C@H](C)CC[NH3+])[nH]c1C 258800362 573588096 /nfs/dbraw/zinc/58/80/96/573588096.db2.gz WRPCXQXCSCEAAG-MRVPVSSYSA-N 2 0 195.310 2.123 10 0 AEAERP CCC[C@@H](C)[NH2+]C(C)(C)CCC[NH3+] 393539398 573590339 /nfs/dbraw/zinc/59/03/39/573590339.db2.gz RRWBJUSQXNROSX-SNVBAGLBSA-N 2 0 186.343 2.282 10 0 AEAERP C[C@H]([NH3+])CC[N@@H+]1CCCC(C)(C)CC1 83680327 573590763 /nfs/dbraw/zinc/59/07/63/573590763.db2.gz IUIQCNAKCGQIDF-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[N@@H+]1CC[C@@H](C[NH2+]C)[C@H]1C 259136816 573592141 /nfs/dbraw/zinc/59/21/41/573592141.db2.gz DLLYUDBSKDSCMH-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+][C@@H](CC[C@H](C)[NH3+])c1cccs1 259520341 573592309 /nfs/dbraw/zinc/59/23/09/573592309.db2.gz UCFFYYDSCWQVPR-IUCAKERBSA-N 2 0 198.335 2.136 10 0 AEAERP C[NH2+][C@H](CC[C@@H](C)[NH3+])c1cccs1 259520342 573592559 /nfs/dbraw/zinc/59/25/59/573592559.db2.gz UCFFYYDSCWQVPR-RKDXNWHRSA-N 2 0 198.335 2.136 10 0 AEAERP Cc1ccc([C@@H]([NH3+])CC[C@@H](C)[NH3+])cc1 259521726 573594158 /nfs/dbraw/zinc/59/41/58/573594158.db2.gz VVRBWTZSRKJSNX-PWSUYJOCSA-N 2 0 192.306 2.122 10 0 AEAERP CC(C)(C[NH3+])CC[NH2+]CC1CCCC1 258810745 573594572 /nfs/dbraw/zinc/59/45/72/573594572.db2.gz DNXWSMWIYFUPBJ-UHFFFAOYSA-N 2 0 198.354 2.141 10 0 AEAERP CC(C)[C@H](C[NH3+])[C@H]([NH3+])C1CCCCC1 259139193 573598093 /nfs/dbraw/zinc/59/80/93/573598093.db2.gz BAOHSRPTCARVJT-NWDGAFQWSA-N 2 0 198.354 2.125 10 0 AEAERP C[C@H](CCCC[NH3+])[N@@H+]1CCCC1(C)C 308646519 573598114 /nfs/dbraw/zinc/59/81/14/573598114.db2.gz HQTGHPRJAJFSSG-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@H](CCCC[NH3+])[N@H+](C)C1CCCC1 308645277 573598274 /nfs/dbraw/zinc/59/82/74/573598274.db2.gz GYUHLKXGRBZKEP-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)CCCC[NH2+][C@H](C)C1C[NH2+]C1 686243549 573598446 /nfs/dbraw/zinc/59/84/46/573598446.db2.gz GWPSRPBZOMNGLL-LLVKDONJSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[C@H](C[NH3+])[C@@H]([NH3+])C1CCCCC1 259139195 573598461 /nfs/dbraw/zinc/59/84/61/573598461.db2.gz BAOHSRPTCARVJT-RYUDHWBXSA-N 2 0 198.354 2.125 10 0 AEAERP CCCN(CC)C[C@]1(CC)CCC[NH2+]1 215364194 573598613 /nfs/dbraw/zinc/59/86/13/573598613.db2.gz YNRQEOBNBLPYAV-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CC(C)[C@@H](C[NH3+])[C@H]([NH3+])C1CCCCC1 259139197 573598706 /nfs/dbraw/zinc/59/87/06/573598706.db2.gz BAOHSRPTCARVJT-VXGBXAGGSA-N 2 0 198.354 2.125 10 0 AEAERP CCC(CC)[NH2+]C[C@@]1(C)C[NH2+]C[C@H]1C 308647766 573602274 /nfs/dbraw/zinc/60/22/74/573602274.db2.gz IEDHHTKTPAIFIC-ZYHUDNBSSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)[N@@H+]1C[C@H](CC[NH3+])CCC1(C)C 259525094 573602352 /nfs/dbraw/zinc/60/23/52/573602352.db2.gz VOEDQXSFBNFQEZ-NSHDSACASA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1[C@H](C)CC[C@H]1[NH2+][C@H](C)CCC[NH3+] 308648496 573602432 /nfs/dbraw/zinc/60/24/32/573602432.db2.gz IPKIWLULNLBUFN-WISYIIOYSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]1CCC[C@@H](C)[N@@H+]1[C@H](C)CCC[NH3+] 308647501 573607107 /nfs/dbraw/zinc/60/71/07/573607107.db2.gz ICIDOPDBDYNJCO-GRYCIOLGSA-N 2 0 198.354 2.377 10 0 AEAERP CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH3+])[C@H]1C 308649257 573607156 /nfs/dbraw/zinc/60/71/56/573607156.db2.gz JCOQZICXZKPJGA-AXFHLTTASA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](CCC[NH3+])[NH2+]CC1(C)CCCC1 308648500 573607194 /nfs/dbraw/zinc/60/71/94/573607194.db2.gz IPZHHYVWGQGQHN-LLVKDONJSA-N 2 0 198.354 2.284 10 0 AEAERP C[C@H]1CC[C@@H]([NH2+][C@H](C)CCC[NH3+])[C@H]1C 308648495 573607204 /nfs/dbraw/zinc/60/72/04/573607204.db2.gz IPKIWLULNLBUFN-WHOHXGKFSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H](CCC[NH3+])[NH2+]CC1(C)CCCC1 308648501 573607286 /nfs/dbraw/zinc/60/72/86/573607286.db2.gz IPZHHYVWGQGQHN-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])[C@H]1C 308648905 573607360 /nfs/dbraw/zinc/60/73/60/573607360.db2.gz IWAHFYNWTXDVTL-KQSJRHEJSA-N 2 0 198.354 2.136 10 0 AEAERP C[C@H](CCC[NH3+])[NH+]1[C@H](C)CCC[C@H]1C 308647502 573607466 /nfs/dbraw/zinc/60/74/66/573607466.db2.gz ICIDOPDBDYNJCO-IJLUTSLNSA-N 2 0 198.354 2.377 10 0 AEAERP C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1C 393667488 573609845 /nfs/dbraw/zinc/60/98/45/573609845.db2.gz DIXCGKLEFPLWSL-MXWKQRLJSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1C 393667487 573609858 /nfs/dbraw/zinc/60/98/58/573609858.db2.gz DIXCGKLEFPLWSL-GMTAPVOTSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@H](C[NH3+])[C@@H]([NH2+]C)C1CCCCC1 259128056 573610237 /nfs/dbraw/zinc/61/02/37/573610237.db2.gz GTQHKSMYMCYQNZ-ZYHUDNBSSA-N 2 0 198.354 2.140 10 0 AEAERP C[NH2+]CCC[C@H]([NH2+]C)c1cccs1 259129665 573610355 /nfs/dbraw/zinc/61/03/55/573610355.db2.gz BPIQHLBXVVAAGT-VIFPVBQESA-N 2 0 198.335 2.008 10 0 AEAERP CC[C@@H](C[NH3+])[C@H]([NH2+]C)C1CCCCC1 259128050 573611299 /nfs/dbraw/zinc/61/12/99/573611299.db2.gz GTQHKSMYMCYQNZ-JQWIXIFHSA-N 2 0 198.354 2.140 10 0 AEAERP CC[C@@H](C[NH3+])[C@@H]([NH2+]C)C1CCCCC1 259128047 573611427 /nfs/dbraw/zinc/61/14/27/573611427.db2.gz GTQHKSMYMCYQNZ-CMPLNLGQSA-N 2 0 198.354 2.140 10 0 AEAERP C[C@@H]1C[C@H]1C[N@@H+](C)[C@H](C)CCCC[NH3+] 308660670 573629003 /nfs/dbraw/zinc/62/90/03/573629003.db2.gz PSDJSQUXEQVBOJ-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+]CC(C)(C)[NH2+]CC1CCCCC1 258825473 573629163 /nfs/dbraw/zinc/62/91/63/573629163.db2.gz LTGVEKUPJCHYTK-UHFFFAOYSA-N 2 0 198.354 2.154 10 0 AEAERP CC[C@@H]([NH3+])CCC[N@H+](C)CCC1CC1 308650466 573629249 /nfs/dbraw/zinc/62/92/49/573629249.db2.gz KCFBTMZPADKUIJ-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@](C)([NH3+])C[NH2+]C1(C)CCCCC1 86809985 573632288 /nfs/dbraw/zinc/63/22/88/573632288.db2.gz JXBREXXTXURDKV-NSHDSACASA-N 2 0 198.354 2.426 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@@]1(C)C[NH2+]C[C@@H]1C 308651205 573638647 /nfs/dbraw/zinc/63/86/47/573638647.db2.gz KEYFMRDKPOXLQN-SDDRHHMPSA-N 2 0 198.354 2.010 10 0 AEAERP CCC[C@H](C)[NH2+]C[C@]1(C)C[NH2+]C[C@@H]1C 308651206 573637988 /nfs/dbraw/zinc/63/79/88/573637988.db2.gz KEYFMRDKPOXLQN-SRVKXCTJSA-N 2 0 198.354 2.010 10 0 AEAERP C[C@@H]1CCCC[N@@H+]1CCC1([NH3+])CCC1 86853794 573656593 /nfs/dbraw/zinc/65/65/93/573656593.db2.gz JEUMZTSTTQJHAN-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CC1CC([NH2+][C@H](C)CCC[NH+](C)C)C1 308664231 573663542 /nfs/dbraw/zinc/66/35/42/573663542.db2.gz RMOKLZKQHLUUIU-MOENNCHZSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CCC[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C 308664714 573663555 /nfs/dbraw/zinc/66/35/55/573663555.db2.gz RXBOBBUIERQXSY-IJLUTSLNSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@H+](CCC1CCC1)C(C)(C)CC[NH3+] 258862342 573663780 /nfs/dbraw/zinc/66/37/80/573663780.db2.gz OPTCYFOJVLDVGF-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)[N@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86871103 573664140 /nfs/dbraw/zinc/66/41/40/573664140.db2.gz ICUIKJQVZOFVML-WDEREUQCSA-N 2 0 198.354 2.090 10 0 AEAERP C[C@@H](CC[NH3+])C[NH2+]CCC1CCCC1 258861501 573664157 /nfs/dbraw/zinc/66/41/57/573664157.db2.gz IULQQKUJLFDEIS-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP C[C@H](CCCC[NH3+])[N@H+](C)[C@H](C)C1CC1 308661286 573668974 /nfs/dbraw/zinc/66/89/74/573668974.db2.gz PWSRBRYIYHGILZ-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H](CCCC[NH+](C)C)[NH2+][C@H]1C[C@H]1C 308667347 573668982 /nfs/dbraw/zinc/66/89/82/573668982.db2.gz TWNYTETVNGTYFC-UTUOFQBUSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC(C)(C)C[NH2+]C[C@H]1CCC[NH2+]1 258861349 573669234 /nfs/dbraw/zinc/66/92/34/573669234.db2.gz ISYVOWUOFOOUTE-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP C[C@H]([NH3+])CCCC[N@H+](C)CCC1CC1 308668381 573686660 /nfs/dbraw/zinc/68/66/60/573686660.db2.gz UJQJRSXTHKTEJD-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1(C)C 259170294 573686779 /nfs/dbraw/zinc/68/67/79/573686779.db2.gz ARHWPLQPTASMIZ-GHMZBOCLSA-N 2 0 198.354 2.234 10 0 AEAERP CCCC[N@@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259166308 573697110 /nfs/dbraw/zinc/69/71/10/573697110.db2.gz GLBPLFFQECRRJY-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[N@@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259166313 573697659 /nfs/dbraw/zinc/69/76/59/573697659.db2.gz GLBPLFFQECRRJY-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP C[N@H+](CCCC(C)(C)[NH3+])C(C)(C)C 258885632 573698456 /nfs/dbraw/zinc/69/84/56/573698456.db2.gz KUTPRXFVNURDLQ-UHFFFAOYSA-N 2 0 186.343 2.234 10 0 AEAERP CC(C)(CC[NH3+])[C@H]([NH3+])c1ccccc1 259165855 573698759 /nfs/dbraw/zinc/69/87/59/573698759.db2.gz DTSWAZARSAPUQN-LLVKDONJSA-N 2 0 192.306 2.061 10 0 AEAERP CC[C@H](C)[N@H+](C)[C@@H](C)CCCC[NH3+] 393554761 573706872 /nfs/dbraw/zinc/70/68/72/573706872.db2.gz NOFAEDHJYYPMMX-QWRGUYRKSA-N 2 0 186.343 2.234 10 0 AEAERP C[N@H+](CCCC[NH3+])CCC1CCCC1 258896116 573731429 /nfs/dbraw/zinc/73/14/29/573731429.db2.gz LTPKVUZDURKIIE-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP C[NH2+][C@@H](CCC(C)(C)[NH3+])C(C)(C)C 259618930 573732235 /nfs/dbraw/zinc/73/22/35/573732235.db2.gz YTYYKEYTURHXBW-VIFPVBQESA-N 2 0 186.343 2.138 10 0 AEAERP CC(C)[N@@H+]1CCC=C(CC[C@@H](C)[NH3+])C1 258109374 573732347 /nfs/dbraw/zinc/73/23/47/573732347.db2.gz OMJSDYJYBGMXGK-LLVKDONJSA-N 2 0 196.338 2.154 10 0 AEAERP CC[NH+](CC)[C@H](C)c1coc(C[NH3+])c1 257859199 573739114 /nfs/dbraw/zinc/73/91/14/573739114.db2.gz QPNMRGFWQMYBGG-SECBINFHSA-N 2 0 196.294 2.141 10 0 AEAERP CC[C@H]1CCC[N@@H+]1[C@H](C)CCCC[NH3+] 308702754 573744952 /nfs/dbraw/zinc/74/49/52/573744952.db2.gz VNSLBMJLQYVTAQ-NEPJUHHUSA-N 2 0 198.354 2.378 10 0 AEAERP C[C@@H]([NH3+])c1ccccc1-c1ncc[nH]1 108299508 573744960 /nfs/dbraw/zinc/74/49/60/573744960.db2.gz ALURRDOIGRPCML-MRVPVSSYSA-N 2 0 187.246 2.096 10 0 AEAERP CC[C@@H]1CCC[N@@H+]1[C@@H](C)CCCC[NH3+] 308702758 573746496 /nfs/dbraw/zinc/74/64/96/573746496.db2.gz VNSLBMJLQYVTAQ-NWDGAFQWSA-N 2 0 198.354 2.378 10 0 AEAERP CC(C)[C@H]1CCCC[N@@H+]1CC(C)(C)N 108310299 573747844 /nfs/dbraw/zinc/74/78/44/573747844.db2.gz OWLCBVYRYYTSRR-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC[C@@H]([NH3+])C[NH2+][C@@]1(C)CCCC[C@H]1C 308705118 573750769 /nfs/dbraw/zinc/75/07/69/573750769.db2.gz YRGJQHVRJMBVLK-UTUOFQBUSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@@]1(C)CCCC[C@H]1C 308705119 573754138 /nfs/dbraw/zinc/75/41/38/573754138.db2.gz YRGJQHVRJMBVLK-WOPDTQHZSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]([NH3+])C[NH2+][C@]1(C)CCCC[C@H]1C 308705111 573754235 /nfs/dbraw/zinc/75/42/35/573754235.db2.gz YRGJQHVRJMBVLK-GRYCIOLGSA-N 2 0 198.354 2.282 10 0 AEAERP C[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)[NH3+])C1 84052004 573754917 /nfs/dbraw/zinc/75/49/17/573754917.db2.gz VCDATTASOVYRFM-QWRGUYRKSA-N 2 0 198.354 2.234 10 0 AEAERP C[C@H]1CC[C@@H](C)C[N@H+]1CCC(C)(C)[NH3+] 84052001 573755764 /nfs/dbraw/zinc/75/57/64/573755764.db2.gz VCDATTASOVYRFM-MNOVXSKESA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[N@@H+]1CC[C@H](CC[NH2+]C)C1 259182262 573756224 /nfs/dbraw/zinc/75/62/24/573756224.db2.gz LSEZWKODYBGWSP-LBPRGKRZSA-N 2 0 198.354 2.108 10 0 AEAERP C[C@@]1(CC[C@H]2CCC[NH2+]2)CCCC[NH2+]1 258120937 573756975 /nfs/dbraw/zinc/75/69/75/573756975.db2.gz IIAXAROGRDPQJH-NEPJUHHUSA-N 2 0 196.338 2.051 10 0 AEAERP C[C@H]1CC[C@H](C)[N@H+](CC(C)(C)C[NH3+])C1 84053317 573757568 /nfs/dbraw/zinc/75/75/68/573757568.db2.gz CATJAQODXFQVEB-QWRGUYRKSA-N 2 0 198.354 2.092 10 0 AEAERP CC[C@@H](C)[N@H+](CCC[NH3+])CC(C)C 43417260 573757496 /nfs/dbraw/zinc/75/74/96/573757496.db2.gz ASRJXYHIQPETIN-LLVKDONJSA-N 2 0 186.343 2.092 10 0 AEAERP CC(C)(C)CC[NH2+]CC[C@@H]1CCC[NH2+]1 259178344 573768420 /nfs/dbraw/zinc/76/84/20/573768420.db2.gz ZAADWHNZVPFACT-NSHDSACASA-N 2 0 198.354 2.154 10 0 AEAERP C[C@@H](CC[NH3+])C[N@H+](C)CCC1CCC1 258928294 573768495 /nfs/dbraw/zinc/76/84/95/573768495.db2.gz PBNNUPZBDZQATL-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCCC[C@H](C)C[NH2+][C@H]1CCN(C)C1 308711734 573769655 /nfs/dbraw/zinc/76/96/55/573769655.db2.gz ZEBSDPIBRTUHHC-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@@H](C)C[NH2+][C@H]1CCN(C)C1 308711732 573769684 /nfs/dbraw/zinc/76/96/84/573769684.db2.gz ZEBSDPIBRTUHHC-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC1CC[NH+](CCC[C@@H](C)C[NH3+])CC1 131159985 573773344 /nfs/dbraw/zinc/77/33/44/573773344.db2.gz DNHYUAHYFUVZIX-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP C[C@@H](N)[C@H]([N@H+](C)C1CCC1)C(C)(C)C 127157851 573773877 /nfs/dbraw/zinc/77/38/77/573773877.db2.gz NXJPRYYDPYSOLN-KOLCDFICSA-N 2 0 198.354 2.233 10 0 AEAERP C[C@@H](C[NH3+])CCC[NH+]1CCCCCC1 131163867 573773943 /nfs/dbraw/zinc/77/39/43/573773943.db2.gz BOPWXSGALJDHGF-GFCCVEGCSA-N 2 0 198.354 2.237 10 0 AEAERP C[C@@H](CC[NH3+])C[NH2+]CC1CCCCC1 258940334 573775035 /nfs/dbraw/zinc/77/50/35/573775035.db2.gz QKAOSWOGOYTWFP-NSHDSACASA-N 2 0 198.354 2.141 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+][C@H](CC)C1C[NH2+]C1 716170005 573775644 /nfs/dbraw/zinc/77/56/44/573775644.db2.gz ZHNUHQDKZHQMKA-JBLDHEPKSA-N 2 0 198.354 2.009 10 0 AEAERP Cc1ccc(C)c([C@@H]([NH3+])C[C@H](C)[NH3+])c1 259179979 573774968 /nfs/dbraw/zinc/77/49/68/573774968.db2.gz FFKIZNLYRMXINE-JQWIXIFHSA-N 2 0 192.306 2.041 10 0 AEAERP CC(C)(C)CC[NH2+][C@H]1C[NH2+]C(C)(C)C1 258939444 573782333 /nfs/dbraw/zinc/78/23/33/573782333.db2.gz YIZVLEKSHFDPDI-SNVBAGLBSA-N 2 0 198.354 2.153 10 0 AEAERP CCC[C@H]([NH2+]C)c1ccc(C[NH3+])cc1 259188606 573794186 /nfs/dbraw/zinc/79/41/86/573794186.db2.gz DXPFHSJTYGXBGQ-LBPRGKRZSA-N 2 0 192.306 2.206 10 0 AEAERP CC[NH2+][C@@H](C)C[C@H](C)[N@H+](C)C1CCC1 127294377 573794471 /nfs/dbraw/zinc/79/44/71/573794471.db2.gz QKQLCVURQLJDQE-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP C1CCCCC[NH2+]CC[NH2+]CCCC1 238103647 573794770 /nfs/dbraw/zinc/79/47/70/573794770.db2.gz XWKJNOUHHYPCBH-UHFFFAOYSA-N 2 0 198.354 2.300 10 0 AEAERP CCC[NH2+][C@H](C)CC[N@H+](C)C1CCC1 127301471 573795005 /nfs/dbraw/zinc/79/50/05/573795005.db2.gz PLJOGFLCNQNNTA-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)C1CCC1 127293952 573795339 /nfs/dbraw/zinc/79/53/39/573795339.db2.gz QKQLCVURQLJDQE-WDEREUQCSA-N 2 0 198.354 2.247 10 0 AEAERP C1CCCC[NH2+]CCCC[NH2+]CCC1 238103709 573795985 /nfs/dbraw/zinc/79/59/85/573795985.db2.gz DZGZNXYVFRHKDN-UHFFFAOYSA-N 2 0 198.354 2.300 10 0 AEAERP CC[N@H+](CCC[C@@H](C)C[NH3+])CC1CC1 131278911 573805284 /nfs/dbraw/zinc/80/52/84/573805284.db2.gz AUPPCLNBKDMTLF-LLVKDONJSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1(C)C 259571186 573804676 /nfs/dbraw/zinc/80/46/76/573804676.db2.gz YPGMTLDFDMOEGY-WDEREUQCSA-N 2 0 198.354 2.105 10 0 AEAERP C[N@@H+]1CCC[C@@H]1CCC1([NH3+])CCCC1 258133385 573804913 /nfs/dbraw/zinc/80/49/13/573804913.db2.gz UYFZFORQBVXMQR-LLVKDONJSA-N 2 0 196.338 2.132 10 0 AEAERP CCCCC[N@H+](C)CC1(C[NH2+]C)CC1 258957836 573804973 /nfs/dbraw/zinc/80/49/73/573804973.db2.gz RNFJCTHXVKYMMA-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1(C)C 259571180 573805145 /nfs/dbraw/zinc/80/51/45/573805145.db2.gz YPGMTLDFDMOEGY-GHMZBOCLSA-N 2 0 198.354 2.105 10 0 AEAERP C[C@H](CC[NH3+])[N@H+](C)C1CCCCCC1 41042658 573807793 /nfs/dbraw/zinc/80/77/93/573807793.db2.gz ZXEBUEBKGCPAGQ-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CC[N@H+](CCC[C@H](C)C[NH3+])CC1CC1 131279144 573808232 /nfs/dbraw/zinc/80/82/32/573808232.db2.gz AUPPCLNBKDMTLF-NSHDSACASA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](C)[N@H+](CCC(N)=[NH2+])C(C)C 233275513 573823483 /nfs/dbraw/zinc/82/34/83/573823483.db2.gz MJTXCORDPNPSHE-SNVBAGLBSA-N 2 0 199.342 2.211 10 0 AEAERP CC(C)CCCC[NH2+]CC[C@H](C)[NH3+] 147594290 573830267 /nfs/dbraw/zinc/83/02/67/573830267.db2.gz AHKWRADJDOMYOJ-NSHDSACASA-N 2 0 186.343 2.140 10 0 AEAERP CC(C)CC[N@@H+](C1CC1)[C@H](C)CC[NH3+] 109272092 573830502 /nfs/dbraw/zinc/83/05/02/573830502.db2.gz YAKHBBDAUJYDIH-LLVKDONJSA-N 2 0 198.354 2.234 10 0 AEAERP CC(C)(C)[C@@H]([NH3+])c1ccc(C[NH3+])cc1 259207186 573831760 /nfs/dbraw/zinc/83/17/60/573831760.db2.gz GHLJFKUZWFQGHH-NSHDSACASA-N 2 0 192.306 2.191 10 0 AEAERP CC[C@H](C[NH3+])c1nc(C2CCC2)c[nH]1 259208402 573831880 /nfs/dbraw/zinc/83/18/80/573831880.db2.gz YEMAIOUYUNBXOE-MRVPVSSYSA-N 2 0 193.294 2.130 10 0 AEAERP [NH3+][C@@H]1CCCCC[C@H]1C[NH2+]C1CCC1 87222632 573832539 /nfs/dbraw/zinc/83/25/39/573832539.db2.gz UYRJGHZRTCVOBM-CMPLNLGQSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)(C)[NH2+]C[C@H]1CCCCC[C@H]1[NH3+] 87222508 573832559 /nfs/dbraw/zinc/83/25/59/573832559.db2.gz JVBORTQKSZSIMN-GHMZBOCLSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H](C[NH3+])[C@H](C1CCCC1)[NH+](C)C 259573570 573835234 /nfs/dbraw/zinc/83/52/34/573835234.db2.gz PJYVJFOPEQSBHY-ZYHUDNBSSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)(C)[C@H]([NH3+])c1ccc(C[NH3+])cc1 259207180 573835761 /nfs/dbraw/zinc/83/57/61/573835761.db2.gz GHLJFKUZWFQGHH-LLVKDONJSA-N 2 0 192.306 2.191 10 0 AEAERP [NH3+][C@H]1CCCCC[C@H]1C[NH2+]C1CCC1 87222636 573835812 /nfs/dbraw/zinc/83/58/12/573835812.db2.gz UYRJGHZRTCVOBM-JQWIXIFHSA-N 2 0 196.338 2.036 10 0 AEAERP C[NH2+]CCCC[NH2+]CCCC(C)C 258966192 573837402 /nfs/dbraw/zinc/83/74/02/573837402.db2.gz SUNSYYJEEXWQSC-UHFFFAOYSA-N 2 0 186.343 2.012 10 0 AEAERP CC[C@H](C)C[NH2+]C[C@@]1(C)CCCC[NH2+]1 127391363 573837425 /nfs/dbraw/zinc/83/74/25/573837425.db2.gz NKFNOKZXZMIGIT-NWDGAFQWSA-N 2 0 198.354 2.154 10 0 AEAERP [NH3+][C@@H](C[NH2+]C1CCC1)C1CCCCC1 258153654 573837873 /nfs/dbraw/zinc/83/78/73/573837873.db2.gz HHVJJFZNGSBSPI-LBPRGKRZSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@@H](C[NH3+])[C@H](C1CCCC1)[NH+](C)C 259573563 573838023 /nfs/dbraw/zinc/83/80/23/573838023.db2.gz PJYVJFOPEQSBHY-CMPLNLGQSA-N 2 0 198.354 2.092 10 0 AEAERP CCC[N@H+](CC(C)(C)CC[NH3+])C1CC1 308449920 573842424 /nfs/dbraw/zinc/84/24/24/573842424.db2.gz CAIFZSBFNHCMQU-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H](C)[NH2+][C@H](C)CC[NH+]1CCCC1 308761543 573841830 /nfs/dbraw/zinc/84/18/30/573841830.db2.gz YCKKBWNMKNNKBA-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCCC[NH2+][C@H]1CCC[C@@H]1C[NH+](C)C 308761561 573841882 /nfs/dbraw/zinc/84/18/82/573841882.db2.gz YCPUIROYOHYFKX-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP C[C@H]1CCCC[C@]1(C)[NH2+]C[C@H](C)C[NH3+] 308760397 573842394 /nfs/dbraw/zinc/84/23/94/573842394.db2.gz WXIUPXKTTBTMGH-WOPDTQHZSA-N 2 0 198.354 2.140 10 0 AEAERP CC[NH2+][C@H](C)CC[N@@H+]1CCCC[C@@H]1C 43810191 573861661 /nfs/dbraw/zinc/86/16/61/573861661.db2.gz YAHBRLVBXASXGZ-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](C)CC[NH+]1CCC(C)CC1 43806787 573862315 /nfs/dbraw/zinc/86/23/15/573862315.db2.gz GKKGAZHSLNVUBZ-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](C)[NH2+]CC[C@H]1CC[C@@H]([NH3+])C1 308458171 573865536 /nfs/dbraw/zinc/86/55/36/573865536.db2.gz CKZDTUHEXNEDDC-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CCC(C)(C)[N@H+](C)CC[C@H]1CC[NH2+]C1 84386022 573865804 /nfs/dbraw/zinc/86/58/04/573865804.db2.gz VKAINHQBVKDRBG-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H]([NH2+]C)[C@H](CC)[NH+]1CCCC1 43807149 573866209 /nfs/dbraw/zinc/86/62/09/573866209.db2.gz FQODTKGICHRHQM-NEPJUHHUSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@H](C)CC[NH2+][C@H](C)C(C)C 716314055 573875966 /nfs/dbraw/zinc/87/59/66/573875966.db2.gz PTCONKXMJWUMEX-GHMZBOCLSA-N 2 0 186.343 2.009 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 40621995 573878012 /nfs/dbraw/zinc/87/80/12/573878012.db2.gz OOIQZCJTJKASAC-NEPJUHHUSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 40621999 573878081 /nfs/dbraw/zinc/87/80/81/573878081.db2.gz OOIQZCJTJKASAC-VXGBXAGGSA-N 2 0 198.354 2.105 10 0 AEAERP C[NH2+]CC1([C@H](CC(C)C)[NH2+]C)CCC1 259578901 573878337 /nfs/dbraw/zinc/87/83/37/573878337.db2.gz XDBOADUFKADXFD-NSHDSACASA-N 2 0 198.354 2.010 10 0 AEAERP Cc1[nH]c(CC[C@@H](C)[NH3+])[nH+]c1C(C)C 258519387 573891154 /nfs/dbraw/zinc/89/11/54/573891154.db2.gz GYMUUFYGFMBRHH-MRVPVSSYSA-N 2 0 195.310 2.121 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])C[NH+]1CCCCCC1 716340167 573891360 /nfs/dbraw/zinc/89/13/60/573891360.db2.gz CHPKROYUUFCOQV-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CCCCC[NH2+][C@@H](C)C[NH2+]CCC 127447386 573902954 /nfs/dbraw/zinc/90/29/54/573902954.db2.gz TYBYGYGHVPMGQV-NSHDSACASA-N 2 0 186.343 2.154 10 0 AEAERP CCCCC[NH2+][C@H](C)C[NH2+]CCC 127447606 573903062 /nfs/dbraw/zinc/90/30/62/573903062.db2.gz TYBYGYGHVPMGQV-LLVKDONJSA-N 2 0 186.343 2.154 10 0 AEAERP CCC[NH2+]C[C@H](C)[NH2+]CC(C)(C)C 127448091 573903353 /nfs/dbraw/zinc/90/33/53/573903353.db2.gz PLHXMUJHZPMEJE-JTQLQIEISA-N 2 0 186.343 2.010 10 0 AEAERP CCCCC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 259226233 573903368 /nfs/dbraw/zinc/90/33/68/573903368.db2.gz KRZDUANWYCAOBZ-NSHDSACASA-N 2 0 198.354 2.236 10 0 AEAERP CCC[NH2+][C@H](C)C[NH2+][C@H](C)C(C)C 716360177 573903377 /nfs/dbraw/zinc/90/33/77/573903377.db2.gz QOWVBSSKXAWHSC-GHMZBOCLSA-N 2 0 186.343 2.009 10 0 AEAERP [NH3+][C@H]1CCCC[C@H]1[NH2+]CC1CCCC1 259228618 573906928 /nfs/dbraw/zinc/90/69/28/573906928.db2.gz XVFYDTQVJMMEFE-NWDGAFQWSA-N 2 0 196.338 2.036 10 0 AEAERP CC(C)CC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 44412919 573907032 /nfs/dbraw/zinc/90/70/32/573907032.db2.gz AWBVDOAQSAWIPA-NWDGAFQWSA-N 2 0 198.354 2.092 10 0 AEAERP C[NH2+][C@H](C)CC1=CC[N@@H+](C(C)C)CC1 257896886 573907553 /nfs/dbraw/zinc/90/75/53/573907553.db2.gz AECNJNVNKRTVAY-LLVKDONJSA-N 2 0 196.338 2.025 10 0 AEAERP C[NH+](C)[C@@H](CC(C)(C)C[NH3+])C1CCC1 259236854 573913697 /nfs/dbraw/zinc/91/36/97/573913697.db2.gz BBKPTIGLMBCMBP-NSHDSACASA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[N@H+](CCC[NH3+])CC1CCCC1 42011106 573913915 /nfs/dbraw/zinc/91/39/15/573913915.db2.gz LRUBQYKTXQQILO-UHFFFAOYSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)[N@H+](C)CC[C@H]1CCC[NH2+]1 42172099 573915446 /nfs/dbraw/zinc/91/54/46/573915446.db2.gz PTAIAWMRZSEKDY-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+]C[C@](C)(CC)[NH+]1CCCC1 308464737 573926619 /nfs/dbraw/zinc/92/66/19/573926619.db2.gz FUVWHMJAKGEOJT-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP C[C@H]([NH3+])CCC[NH2+]CC1CCCCC1 259012707 573927032 /nfs/dbraw/zinc/92/70/32/573927032.db2.gz XTKNTRWPFOCNCF-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CC(C)(CC[NH3+])[NH2+]C1CCCCC1 259016203 573934564 /nfs/dbraw/zinc/93/45/64/573934564.db2.gz RRUQBYVRMPUPIZ-UHFFFAOYSA-N 2 0 184.327 2.036 10 0 AEAERP CC[C@@H]([NH3+])CC[N@@H+]1[C@@H](C)CCC[C@H]1C 127770958 573937387 /nfs/dbraw/zinc/93/73/87/573937387.db2.gz NGPCBGWVFUXGML-GRYCIOLGSA-N 2 0 198.354 2.377 10 0 AEAERP CCCN(C[C@@H]([NH2+]C)C(C)C)C1CC1 87528351 573937645 /nfs/dbraw/zinc/93/76/45/573937645.db2.gz UZAFJVXQXLQZAP-GFCCVEGCSA-N 2 0 198.354 2.105 10 0 AEAERP CCC(CC)N(C)[C@H]1C[NH2+]C(C)(C)C1 131781888 573937965 /nfs/dbraw/zinc/93/79/65/573937965.db2.gz IKMAAOOAMBRGKX-LLVKDONJSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](C)C[NH2+]CC1([NH2+]C)CCCC1 308467708 573940675 /nfs/dbraw/zinc/94/06/75/573940675.db2.gz ACODNVQRMBTMNI-LLVKDONJSA-N 2 0 198.354 2.154 10 0 AEAERP CCC[NH2+]CCC[N@H+](C)[C@@H](C)C1CC1 42409600 573940711 /nfs/dbraw/zinc/94/07/11/573940711.db2.gz PAACMUWOTOYODU-NSHDSACASA-N 2 0 198.354 2.106 10 0 AEAERP C[C@@H]([NH3+])CC[C@H]([NH3+])C1CCCCC1 259244098 573940843 /nfs/dbraw/zinc/94/08/43/573940843.db2.gz HVWFZXJAFRXCQN-KOLCDFICSA-N 2 0 184.327 2.021 10 0 AEAERP CCCCC[N@H+](C)CC[C@H]([NH3+])CC 127782207 573941182 /nfs/dbraw/zinc/94/11/82/573941182.db2.gz KTZDYCZKZDLRFF-LLVKDONJSA-N 2 0 186.343 2.236 10 0 AEAERP CC[NH2+]CCC[NH+]1CCCCCCC1 42409434 573941301 /nfs/dbraw/zinc/94/13/01/573941301.db2.gz QINMLIANJJELCX-UHFFFAOYSA-N 2 0 198.354 2.252 10 0 AEAERP CCC[NH2+]CCC[N@@H+]1CCC[C@H]1CC 42409124 573941330 /nfs/dbraw/zinc/94/13/30/573941330.db2.gz DKRHPIQVTPXJRA-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[NH2+]CCC[N@@H+]1CCC[C@@H](C)C1 42409219 573941423 /nfs/dbraw/zinc/94/14/23/573941423.db2.gz VESCFJYVCNYSLT-GFCCVEGCSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@@H](C)C[N@H+](C)CC[C@H]([NH3+])CC 127782709 573941591 /nfs/dbraw/zinc/94/15/91/573941591.db2.gz VRXGTBBWZQJQQP-GHMZBOCLSA-N 2 0 186.343 2.092 10 0 AEAERP CCC[NH2+]CCC[N@H+](CC)C(C)C 42409486 573941664 /nfs/dbraw/zinc/94/16/64/573941664.db2.gz FYGWNRVLZPXNNE-UHFFFAOYSA-N 2 0 186.343 2.106 10 0 AEAERP C[C@H](CCC[NH2+]C(C)(C)C)[NH+]1CCC1 308468527 573941676 /nfs/dbraw/zinc/94/16/76/573941676.db2.gz AUWBKPYBBYPSBB-LLVKDONJSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+]CCC[N@H+](C)[C@H](C)C1CC1 42409601 573941695 /nfs/dbraw/zinc/94/16/95/573941695.db2.gz PAACMUWOTOYODU-LLVKDONJSA-N 2 0 198.354 2.106 10 0 AEAERP C[NH2+]C1CCC([C@H]([NH3+])CC(C)C)CC1 259246544 573946565 /nfs/dbraw/zinc/94/65/65/573946565.db2.gz HXUKRUWZPVKPNC-HTAVTVPLSA-N 2 0 198.354 2.138 10 0 AEAERP Cc1ccc([C@@H]([NH3+])CC(C)(C)[NH3+])cc1 259249206 573951997 /nfs/dbraw/zinc/95/19/97/573951997.db2.gz IAPMGEDAWIZWMO-NSHDSACASA-N 2 0 192.306 2.122 10 0 AEAERP CC1([NH2+]C[C@H]([NH3+])CC2CC2)CCCC1 308471462 573952284 /nfs/dbraw/zinc/95/22/84/573952284.db2.gz JNAZBRSLFSAHAT-LLVKDONJSA-N 2 0 196.338 2.036 10 0 AEAERP CC[C@H]1CC[C@@H](C)[N@H+](CCC[NH2+]C)C1 308471485 573952324 /nfs/dbraw/zinc/95/23/24/573952324.db2.gz JNYINTROQSRFJU-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CC1([NH2+]C[C@@H]([NH3+])CC2CC2)CCCC1 308471464 573952349 /nfs/dbraw/zinc/95/23/49/573952349.db2.gz JNAZBRSLFSAHAT-NSHDSACASA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H]([NH3+])C[C@H](c1ccccc1)[NH+](C)C 259249318 573952391 /nfs/dbraw/zinc/95/23/91/573952391.db2.gz BJWADCZQARSKBM-CMPLNLGQSA-N 2 0 192.306 2.027 10 0 AEAERP CCCCC[N@H+](CC)C[C@@H](C)C[NH3+] 42442931 573952444 /nfs/dbraw/zinc/95/24/44/573952444.db2.gz ZHTYVAHPKQCXCP-NSHDSACASA-N 2 0 186.343 2.093 10 0 AEAERP CCC1CC[NH+](C[C@@H]([NH3+])C(C)C)CC1 42447416 573955377 /nfs/dbraw/zinc/95/53/77/573955377.db2.gz JTOAJXIFZCPLGU-GFCCVEGCSA-N 2 0 198.354 2.092 10 0 AEAERP CCCCC[N@H+](CC)C[C@@H](C)C(N)=[NH2+] 42445916 573955499 /nfs/dbraw/zinc/95/54/99/573955499.db2.gz OJCNMXSSAWRTIM-SNVBAGLBSA-N 2 0 199.342 2.071 10 0 AEAERP CCCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 42427286 573955552 /nfs/dbraw/zinc/95/55/52/573955552.db2.gz MFXZESSHPBONFC-NWDGAFQWSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@H]1CC[C@H](C)[N@H+](CCC[NH2+]C)C1 308471487 573955987 /nfs/dbraw/zinc/95/59/87/573955987.db2.gz JNYINTROQSRFJU-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CC[N@H+](CCC(N)=[NH2+])C(C)C 42529693 573963216 /nfs/dbraw/zinc/96/32/16/573963216.db2.gz AJIPURDRDMLZBO-UHFFFAOYSA-N 2 0 199.342 2.069 10 0 AEAERP CC[NH2+]C[C@H](CC)[N@@H+]1CC[C@H](CC)C1 127789036 573963472 /nfs/dbraw/zinc/96/34/72/573963472.db2.gz VTKVSGCHPBPJKR-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(C)C 127790100 573963572 /nfs/dbraw/zinc/96/35/72/573963572.db2.gz CXLYLWGXAMWIRZ-QWRGUYRKSA-N 2 0 186.343 2.090 10 0 AEAERP CC[C@@H]([NH3+])CC[N@@H+]1CCC[C@@H](CC)C1 127792017 573963745 /nfs/dbraw/zinc/96/37/45/573963745.db2.gz MSVWTTBYWUMOGZ-VXGBXAGGSA-N 2 0 198.354 2.236 10 0 AEAERP CC[C@@H]([NH3+])CC[N@H+](C)CC1CCCC1 127895850 573963835 /nfs/dbraw/zinc/96/38/35/573963835.db2.gz LNCWUCIUYOABJE-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP C[NH2+]CCCCCC[N@H+](C)C1CCC1 127890751 573966169 /nfs/dbraw/zinc/96/61/69/573966169.db2.gz BMTFXCVCDYSXIS-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[NH2+]CCCC[N@H+](C)C1CCC1 127893667 573966240 /nfs/dbraw/zinc/96/62/40/573966240.db2.gz NCXBTPQSPPGREL-UHFFFAOYSA-N 2 0 198.354 2.251 10 0 AEAERP CC[C@H]([NH3+])CC[NH2+]CC1(C)CCCC1 127899015 573966256 /nfs/dbraw/zinc/96/62/56/573966256.db2.gz XEEVKLUVVSUNJE-NSHDSACASA-N 2 0 198.354 2.284 10 0 AEAERP CCC[C@@H]1CC[N@@H+]([C@@H](CC)C[NH2+]C)C1 127790726 573965635 /nfs/dbraw/zinc/96/56/35/573965635.db2.gz SPKQMGQLYZNXCX-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCC[N@H+](CCC(N)=[NH2+])C(C)C 42529667 573965860 /nfs/dbraw/zinc/96/58/60/573965860.db2.gz YLNGMFAKHDUHPY-UHFFFAOYSA-N 2 0 199.342 2.213 10 0 AEAERP CCC(CC)C[N@H+](CC)CCC(N)=[NH2+] 42487827 573966048 /nfs/dbraw/zinc/96/60/48/573966048.db2.gz XPHSECSAHVRKIH-UHFFFAOYSA-N 2 0 199.342 2.071 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@@H]1CCCNC1 42584382 573977157 /nfs/dbraw/zinc/97/71/57/573977157.db2.gz OCOPDFFSBQBNHL-GFCCVEGCSA-N 2 0 198.354 2.105 10 0 AEAERP CC[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C)CC1(C)C 259254980 573976384 /nfs/dbraw/zinc/97/63/84/573976384.db2.gz FHPWAXJADZOUJJ-MNOVXSKESA-N 2 0 198.354 2.247 10 0 AEAERP CCC[N@H+](CC[C@H]([NH3+])CC)CC1CC1 127825191 573976573 /nfs/dbraw/zinc/97/65/73/573976573.db2.gz PMVXGMVCDVCGSB-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[N@H+](CC[C@@H]([NH3+])CC)CC1CC1 127825387 573976736 /nfs/dbraw/zinc/97/67/36/573976736.db2.gz PMVXGMVCDVCGSB-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CCC[C@@H]([NH2+]C)C1CCC([NH2+]C)CC1 259253392 573976738 /nfs/dbraw/zinc/97/67/38/573976738.db2.gz HHNSDBFIKWLVHA-HTAVTVPLSA-N 2 0 198.354 2.153 10 0 AEAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)CC1(C)C 259254985 573977002 /nfs/dbraw/zinc/97/70/02/573977002.db2.gz FHPWAXJADZOUJJ-QWRGUYRKSA-N 2 0 198.354 2.247 10 0 AEAERP CCCCC[C@H](C)[NH+]1CCC([NH3+])CC1 42571351 573984047 /nfs/dbraw/zinc/98/40/47/573984047.db2.gz LDZLOMLFHVGVJN-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP C[NH2+][C@H](C[C@H]1CCC[NH2+]C1)C(C)(C)C 259589480 573984240 /nfs/dbraw/zinc/98/42/40/573984240.db2.gz XRXHUJLKKPVHNN-GHMZBOCLSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+][C@@H](C[C@@H]1CCC[NH2+]C1)C(C)(C)C 259589485 573984610 /nfs/dbraw/zinc/98/46/10/573984610.db2.gz XRXHUJLKKPVHNN-QWRGUYRKSA-N 2 0 198.354 2.010 10 0 AEAERP CC(C)C[N@H+](CC[C@@H](C)[NH3+])C(C)C 42581486 573984827 /nfs/dbraw/zinc/98/48/27/573984827.db2.gz KGXZCRSLTVIAGR-LLVKDONJSA-N 2 0 186.343 2.090 10 0 AEAERP CC(C)C[N@H+](C(C)C)[C@H](C)CC[NH3+] 42563130 573985068 /nfs/dbraw/zinc/98/50/68/573985068.db2.gz KEORSSMOMOVXNR-LLVKDONJSA-N 2 0 186.343 2.090 10 0 AEAERP C[NH2+][C@@H](C[C@H]1CCC[NH2+]C1)C(C)(C)C 259589483 573985509 /nfs/dbraw/zinc/98/55/09/573985509.db2.gz XRXHUJLKKPVHNN-MNOVXSKESA-N 2 0 198.354 2.010 10 0 AEAERP CC[C@H](CC[NH3+])[N@H+](CC1CC1)C(C)C 42563232 573985550 /nfs/dbraw/zinc/98/55/50/573985550.db2.gz DYFUXSGMFKOQKY-GFCCVEGCSA-N 2 0 198.354 2.234 10 0 AEAERP CC1(C2(C)C=C[NH2+]C=C2)C=C[NH2+]C=C1 238233878 573991322 /nfs/dbraw/zinc/99/13/22/573991322.db2.gz ISVQIUCJWZLSJK-UHFFFAOYSA-N 2 0 188.274 2.260 10 0 AEAERP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC([NH3+])C1 87651474 573995934 /nfs/dbraw/zinc/99/59/34/573995934.db2.gz IJJDLFIPYXJTSX-HBIQZDMRSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)CC[NH2+]CCN(C)C1CCC1 127931655 573995471 /nfs/dbraw/zinc/99/54/71/573995471.db2.gz RUIAPDDAMJGFCW-UHFFFAOYSA-N 2 0 198.354 2.106 10 0 AEAERP CC[C@@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)C1 87652037 573995497 /nfs/dbraw/zinc/99/54/97/573995497.db2.gz OTTGANFGLPTERS-QTAHKJALSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@H]([NH3+])CC[N@H+](C)C(C)(C)CC 127901918 573995554 /nfs/dbraw/zinc/99/55/54/573995554.db2.gz KDCSXGMAFDKEDJ-JTQLQIEISA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)C1 87652035 573995560 /nfs/dbraw/zinc/99/55/60/573995560.db2.gz OTTGANFGLPTERS-ZYGVAYEYSA-N 2 0 196.338 2.035 10 0 AEAERP C[C@@H]1CCCCC[C@H]1[NH2+]C1CC([NH3+])C1 87652091 573995583 /nfs/dbraw/zinc/99/55/83/573995583.db2.gz OKXVGKMYUAGAKQ-HBIQZDMRSA-N 2 0 196.338 2.035 10 0 AEAERP CC[C@@H]([NH3+])CC[N@H+](C)C(C)(C)CC 127902121 573995727 /nfs/dbraw/zinc/99/57/27/573995727.db2.gz KDCSXGMAFDKEDJ-SNVBAGLBSA-N 2 0 186.343 2.234 10 0 AEAERP CC[C@H]1CCCC[C@H]1[NH2+]C1CC([NH3+])C1 87651475 573995857 /nfs/dbraw/zinc/99/58/57/573995857.db2.gz IJJDLFIPYXJTSX-WNYYMSAVSA-N 2 0 196.338 2.035 10 0 AEAERP C[NH2+]CC[C@H](CC(C)C)[NH+]1CCCC1 82291903 574001665 /nfs/dbraw/zinc/00/16/65/574001665.db2.gz LWELNCQEPNMTDX-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CC[N@@H+]1CCCC[C@H]1CCC1([NH3+])CC1 258199537 574005868 /nfs/dbraw/zinc/00/58/68/574005868.db2.gz ZDNMHFCWADIZOG-NSHDSACASA-N 2 0 196.338 2.132 10 0 AEAERP Cc1ccsc1[C@H]([NH3+])CC[C@H](C)[NH3+] 259271395 574007721 /nfs/dbraw/zinc/00/77/21/574007721.db2.gz IWNCTUUTRPEJOG-DTWKUNHWSA-N 2 0 198.335 2.184 10 0 AEAERP Cc1ccsc1[C@@H]([NH3+])CC[C@@H](C)[NH3+] 259271393 574008325 /nfs/dbraw/zinc/00/83/25/574008325.db2.gz IWNCTUUTRPEJOG-BDAKNGLRSA-N 2 0 198.335 2.184 10 0 AEAERP CCCC[C@@H](C[NH3+])Nc1cc[nH+]cc1 87780199 574032873 /nfs/dbraw/zinc/03/28/73/574032873.db2.gz PZADYHRRUOKQSW-NSHDSACASA-N 2 0 193.294 2.011 10 0 AEAERP CC(C)CC[N@@H+]1CCC[C@@H](C[NH3+])CC1 393496961 574033799 /nfs/dbraw/zinc/03/37/99/574033799.db2.gz QFNAKODGMZFWTL-GFCCVEGCSA-N 2 0 198.354 2.093 10 0 AEAERP CC(C)CC[N@@H+]1CCC[C@H](C[NH3+])CC1 393496962 574034255 /nfs/dbraw/zinc/03/42/55/574034255.db2.gz QFNAKODGMZFWTL-LBPRGKRZSA-N 2 0 198.354 2.093 10 0 AEAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])c(C)c1 259294030 574039339 /nfs/dbraw/zinc/03/93/39/574039339.db2.gz JUQXCFOMRGGOHX-LBPRGKRZSA-N 2 0 192.306 2.042 10 0 AEAERP C[NH2+]C[C@@]1(C)C[C@@H]([NH2+]C)CC(C)(C)C1 113034510 574044244 /nfs/dbraw/zinc/04/42/44/574044244.db2.gz BMGIYALRYQACML-JQWIXIFHSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]C[C@]1(C)C[C@@H]([NH2+]C)CC(C)(C)C1 113034513 574044767 /nfs/dbraw/zinc/04/47/67/574044767.db2.gz BMGIYALRYQACML-CMPLNLGQSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH2+]C[C@]1(C)C[C@H]([NH2+]C)CC(C)(C)C1 113034509 574044842 /nfs/dbraw/zinc/04/48/42/574044842.db2.gz BMGIYALRYQACML-ZYHUDNBSSA-N 2 0 198.354 2.010 10 0 AEAERP CCCC[N@H+](CCCCC[NH3+])C1CC1 49580796 574044863 /nfs/dbraw/zinc/04/48/63/574044863.db2.gz LIGSDUAKJXDASK-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP C[NH2+]C[C@@]1(C)C[C@H]([NH2+]C)CC(C)(C)C1 113034506 574044873 /nfs/dbraw/zinc/04/48/73/574044873.db2.gz BMGIYALRYQACML-PWSUYJOCSA-N 2 0 198.354 2.010 10 0 AEAERP CCC1CC[NH+](CCCCC[NH3+])CC1 49580775 574044983 /nfs/dbraw/zinc/04/49/83/574044983.db2.gz CTJLRZYJTXPLER-UHFFFAOYSA-N 2 0 198.354 2.237 10 0 AEAERP CCCN(CC)CC12CCC(CC1)[NH2+]2 675056980 538449153 /nfs/dbraw/zinc/44/91/53/538449153.db2.gz ZQRYRLNYBRWFTP-UHFFFAOYSA-N 2 0 196.338 2.003 10 0 AEAERP CCC[NH2+][C@@H]1CC[N@H+](CCC)[C@@H](C)C1 219778830 520021733 /nfs/dbraw/zinc/02/17/33/520021733.db2.gz PDMBCAOQYYZVQY-NWDGAFQWSA-N 2 0 198.354 2.249 10 0 AEAERP CCC[NH2+][C@H]1CC[N@H+](CCC)[C@@H](C)C1 219778906 520093843 /nfs/dbraw/zinc/09/38/43/520093843.db2.gz PDMBCAOQYYZVQY-RYUDHWBXSA-N 2 0 198.354 2.249 10 0 AEAERP CC[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 219777008 520118209 /nfs/dbraw/zinc/11/82/09/520118209.db2.gz SFYVFPUATLJETK-NWDGAFQWSA-N 2 0 198.354 2.105 10 0 AEAERP CC[NH2+][C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 219777080 520215358 /nfs/dbraw/zinc/21/53/58/520215358.db2.gz SFYVFPUATLJETK-RYUDHWBXSA-N 2 0 198.354 2.105 10 0 AEAERP CCCC[N@@H+]1CC[C@H]([NH2+]CC)[C@@H](C)C1 219749722 520596703 /nfs/dbraw/zinc/59/67/03/520596703.db2.gz NUOHWQTVIBGGOY-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[N@@H+]1CC[C@@H]([NH2+]CC)[C@@H](C)C1 219749645 520596805 /nfs/dbraw/zinc/59/68/05/520596805.db2.gz NUOHWQTVIBGGOY-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CC1(C[NH2+]C2CCC([NH3+])CC2)CCC1 232847260 520730455 /nfs/dbraw/zinc/73/04/55/520730455.db2.gz GEDVRRRNAGTPPQ-UHFFFAOYSA-N 2 0 196.338 2.036 10 0 AEAERP C[C@H]([NH3+])[C@H](C)[NH2+]C1CCCCCCC1 306200700 629687953 /nfs/dbraw/zinc/68/79/53/629687953.db2.gz KAUZGRNPCUHBCS-QWRGUYRKSA-N 2 0 198.354 2.425 10 0 AEAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C1CCCCCCC1 306200879 629690699 /nfs/dbraw/zinc/69/06/99/629690699.db2.gz KAUZGRNPCUHBCS-WDEREUQCSA-N 2 0 198.354 2.425 10 0 AEAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014584 629782208 /nfs/dbraw/zinc/78/22/08/629782208.db2.gz BEYJMMHDKBCKBY-UTUOFQBUSA-N 2 0 198.354 2.092 10 0 AEAERP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014673 629783116 /nfs/dbraw/zinc/78/31/16/629783116.db2.gz QJXMPTSJDVTCGK-UTUOFQBUSA-N 2 0 198.354 2.090 10 0 AEAERP CCCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85015639 629785114 /nfs/dbraw/zinc/78/51/14/629785114.db2.gz PCBTVNJLLUVDOA-UTUOFQBUSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@@H](C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014682 629786288 /nfs/dbraw/zinc/78/62/88/629786288.db2.gz ZQCXGWAVAFKKRC-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCCC[NH2+]C1CCC([NH3+])CC1 51693453 629887373 /nfs/dbraw/zinc/88/73/73/629887373.db2.gz IJVGDSZBNHMHFT-UHFFFAOYSA-N 2 0 198.354 2.426 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 308196680 629996904 /nfs/dbraw/zinc/99/69/04/629996904.db2.gz NAWLYDSJQJTFMQ-HBNTYKKESA-N 2 0 186.343 2.281 10 0 AEAERP CCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] 308196676 629998711 /nfs/dbraw/zinc/99/87/11/629998711.db2.gz NAWLYDSJQJTFMQ-GARJFASQSA-N 2 0 186.343 2.281 10 0 AEAERP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 318724256 630028330 /nfs/dbraw/zinc/02/83/30/630028330.db2.gz AEVYVNPFZMAZHT-YFKTTZPYSA-N 2 0 198.354 2.138 10 0 AEAERP C/C=C\C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 925717143 630043395 /nfs/dbraw/zinc/04/33/95/630043395.db2.gz JADACPXHHPOBKE-NRFYAWERSA-N 2 0 196.338 2.058 10 0 AEAERP C/C=C\C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 925717145 630043812 /nfs/dbraw/zinc/04/38/12/630043812.db2.gz JADACPXHHPOBKE-WQMVXFAESA-N 2 0 196.338 2.058 10 0 AEAERP C/C=C/C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 925717141 630043990 /nfs/dbraw/zinc/04/39/90/630043990.db2.gz JADACPXHHPOBKE-BXXZLRJFSA-N 2 0 196.338 2.058 10 0 AEAERP C/C=C/C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 925717146 630044124 /nfs/dbraw/zinc/04/41/24/630044124.db2.gz JADACPXHHPOBKE-XKFHPXPTSA-N 2 0 196.338 2.058 10 0 AEAERP CCC[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1[NH3+] 925733930 630047397 /nfs/dbraw/zinc/04/73/97/630047397.db2.gz NESKBOLUTIMACR-SRVKXCTJSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] 925733929 630047495 /nfs/dbraw/zinc/04/74/95/630047495.db2.gz NESKBOLUTIMACR-SDDRHHMPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)CC[NH2+][C@H]1CCC[C@H]1[NH3+] 925734151 630048185 /nfs/dbraw/zinc/04/81/85/630048185.db2.gz NESKBOLUTIMACR-TUAOUCFPSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[NH3+] 925733928 630048491 /nfs/dbraw/zinc/04/84/91/630048491.db2.gz NESKBOLUTIMACR-QJPTWQEYSA-N 2 0 198.354 2.282 10 0 AEAERP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 925876545 630066757 /nfs/dbraw/zinc/06/67/57/630066757.db2.gz AWZLGMCERAGCLQ-UTUOFQBUSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C 925875282 630067586 /nfs/dbraw/zinc/06/75/86/630067586.db2.gz FFXBSTZFKBGSMK-AXFHLTTASA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C 925875283 630068026 /nfs/dbraw/zinc/06/80/26/630068026.db2.gz FFXBSTZFKBGSMK-MXWKQRLJSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCCCCCC1 306200698 630086010 /nfs/dbraw/zinc/08/60/10/630086010.db2.gz KAUZGRNPCUHBCS-GHMZBOCLSA-N 2 0 198.354 2.425 10 0 AEAERP C[C@H]([NH2+]C1CCCCCCC1)[C@@H](C)[NH3+] 306200699 630087091 /nfs/dbraw/zinc/08/70/91/630087091.db2.gz KAUZGRNPCUHBCS-MNOVXSKESA-N 2 0 198.354 2.425 10 0 AEAERP CC1(C[NH2+]CCCCCC[NH3+])CCC1 232810102 630771788 /nfs/dbraw/zinc/77/17/88/630771788.db2.gz KHYVKBRGAZUKIY-UHFFFAOYSA-N 2 0 198.354 2.285 10 0 AEAERP CCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 232988442 630777703 /nfs/dbraw/zinc/77/77/03/630777703.db2.gz QWOQZDCQSYJWGG-WOPDTQHZSA-N 2 0 198.354 2.010 10 0 AEAERP C[NH+](C)CCC[NH2+]CC1(C)CCCC1 163604449 630804730 /nfs/dbraw/zinc/80/47/30/630804730.db2.gz BCNMOTQQAVRFPS-UHFFFAOYSA-N 2 0 198.354 2.108 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 224435741 630845504 /nfs/dbraw/zinc/84/55/04/630845504.db2.gz FNSBBYQPFWCRPB-QJPTWQEYSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 224435816 630845550 /nfs/dbraw/zinc/84/55/50/630845550.db2.gz FNSBBYQPFWCRPB-SDDRHHMPSA-N 2 0 198.354 2.247 10 0 AEAERP CC[C@@H](C)[N@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 85014571 630858301 /nfs/dbraw/zinc/85/83/01/630858301.db2.gz QLMHEEVVBWXJSS-UTUOFQBUSA-N 2 0 198.354 2.234 10 0 AEAERP CCCCC[C@@H](C)[NH2+]C[C@H]1CC[NH2+]C1 62117073 630878605 /nfs/dbraw/zinc/87/86/05/630878605.db2.gz DVGQISQSJHGCEV-NEPJUHHUSA-N 2 0 198.354 2.154 10 0 AEAERP CCCCC[C@H](C)[NH2+]C[C@H]1CC[NH2+]C1 62117074 630878857 /nfs/dbraw/zinc/87/88/57/630878857.db2.gz DVGQISQSJHGCEV-RYUDHWBXSA-N 2 0 198.354 2.154 10 0 AEAERP CC1(C)CCC[N@@H+]1CCCCCC[NH3+] 63073478 630888272 /nfs/dbraw/zinc/88/82/72/630888272.db2.gz RWHZRAZGQLLLDP-UHFFFAOYSA-N 2 0 198.354 2.380 10 0 AEAERP CC(C)[N@H+](CCC[NH2+]C1CC1)C1CC1 923306966 630894682 /nfs/dbraw/zinc/89/46/82/630894682.db2.gz ORWBDUMRJUBRPN-UHFFFAOYSA-N 2 0 196.338 2.001 10 0 AEAERP CC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC)CC1 886393808 631016629 /nfs/dbraw/zinc/01/66/29/631016629.db2.gz CUQUCPWICHTVKC-HAQNSBGRSA-N 2 0 198.354 2.201 10 0 AEAERP CCC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH3+])C1 223496431 631027026 /nfs/dbraw/zinc/02/70/26/631027026.db2.gz LRMYBCKQVNZNPP-RYUDHWBXSA-N 2 0 198.354 2.093 10 0 AEAERP CCC[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH3+])C1 223496369 631027865 /nfs/dbraw/zinc/02/78/65/631027865.db2.gz LRMYBCKQVNZNPP-NEPJUHHUSA-N 2 0 198.354 2.093 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 925504380 631040627 /nfs/dbraw/zinc/04/06/27/631040627.db2.gz QFZBMDGSWKUEGT-DCAQKATOSA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 925504379 631040321 /nfs/dbraw/zinc/04/03/21/631040321.db2.gz QFZBMDGSWKUEGT-AXFHLTTASA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 925504382 631041640 /nfs/dbraw/zinc/04/16/40/631041640.db2.gz QFZBMDGSWKUEGT-HBNTYKKESA-N 2 0 198.354 2.281 10 0 AEAERP CC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 925504381 631042291 /nfs/dbraw/zinc/04/22/91/631042291.db2.gz QFZBMDGSWKUEGT-GARJFASQSA-N 2 0 198.354 2.281 10 0 AEAERP CC(C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 925496206 631043231 /nfs/dbraw/zinc/04/32/31/631043231.db2.gz YOAPDHJDGRUPKW-MNOVXSKESA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 925496205 631043960 /nfs/dbraw/zinc/04/39/60/631043960.db2.gz YOAPDHJDGRUPKW-GHMZBOCLSA-N 2 0 198.354 2.138 10 0 AEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCC2)C1 925593568 631044251 /nfs/dbraw/zinc/04/42/51/631044251.db2.gz HCQIEXLWEHIQJB-ONGXEEELSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 925496207 631044407 /nfs/dbraw/zinc/04/44/07/631044407.db2.gz YOAPDHJDGRUPKW-QWRGUYRKSA-N 2 0 198.354 2.138 10 0 AEAERP CC1(C)C[C@H]([NH3+])C[C@H]([NH2+]C2CCC2)C1 925593565 631045030 /nfs/dbraw/zinc/04/50/30/631045030.db2.gz HCQIEXLWEHIQJB-KOLCDFICSA-N 2 0 196.338 2.035 10 0 AEAERP CC1(C)C[C@H]([NH2+]C2CCC2)C[C@H]([NH3+])C1 925593423 631045226 /nfs/dbraw/zinc/04/52/26/631045226.db2.gz HCQIEXLWEHIQJB-GXSJLCMTSA-N 2 0 196.338 2.035 10 0 AEAERP CC(C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 925496209 631045489 /nfs/dbraw/zinc/04/54/89/631045489.db2.gz YOAPDHJDGRUPKW-WDEREUQCSA-N 2 0 198.354 2.138 10 0 AEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCC2)C1 925593566 631045523 /nfs/dbraw/zinc/04/55/23/631045523.db2.gz HCQIEXLWEHIQJB-MWLCHTKSSA-N 2 0 196.338 2.035 10 0 AEAERP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 925785494 631051850 /nfs/dbraw/zinc/05/18/50/631051850.db2.gz PLDAWBKOSJBRSS-GMTAPVOTSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@]1(C)CC1(C)C 925733618 631051964 /nfs/dbraw/zinc/05/19/64/631051964.db2.gz KWSIDDANSQDQLJ-UMNHJUIQSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 925787129 631052346 /nfs/dbraw/zinc/05/23/46/631052346.db2.gz XGOZMLWIKPGTNA-GMTAPVOTSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCC=CCC1 925779890 631052457 /nfs/dbraw/zinc/05/24/57/631052457.db2.gz NNTJXXBGRHGTTO-GHMZBOCLSA-N 2 0 196.338 2.201 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@@]1(C)CC1(C)C 925733615 631052532 /nfs/dbraw/zinc/05/25/32/631052532.db2.gz KWSIDDANSQDQLJ-HOSYDEDBSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 925787130 631052599 /nfs/dbraw/zinc/05/25/99/631052599.db2.gz XGOZMLWIKPGTNA-OUAUKWLOSA-N 2 0 198.354 2.009 10 0 AEAERP CC(C)[C@H]1CC[C@H]1[NH2+]CCC(C)(C)[NH3+] 925736561 631052718 /nfs/dbraw/zinc/05/27/18/631052718.db2.gz BLPRLUSGIFAEIL-GHMZBOCLSA-N 2 0 198.354 2.138 10 0 AEAERP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 925785497 631052869 /nfs/dbraw/zinc/05/28/69/631052869.db2.gz PLDAWBKOSJBRSS-OUAUKWLOSA-N 2 0 198.354 2.009 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCC=CCC1 925779894 631052986 /nfs/dbraw/zinc/05/29/86/631052986.db2.gz NNTJXXBGRHGTTO-QWRGUYRKSA-N 2 0 196.338 2.201 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)CC1(C)C 925733616 631053312 /nfs/dbraw/zinc/05/33/12/631053312.db2.gz KWSIDDANSQDQLJ-JBLDHEPKSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@@H]1CC[C@H]1[NH2+]CCC(C)(C)[NH3+] 925736566 631053757 /nfs/dbraw/zinc/05/37/57/631053757.db2.gz BLPRLUSGIFAEIL-WDEREUQCSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC(C)(C)[NH3+] 925736564 631053869 /nfs/dbraw/zinc/05/38/69/631053869.db2.gz BLPRLUSGIFAEIL-QWRGUYRKSA-N 2 0 198.354 2.138 10 0 AEAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+]C1CCC=CCC1 925779891 631054052 /nfs/dbraw/zinc/05/40/52/631054052.db2.gz NNTJXXBGRHGTTO-MNOVXSKESA-N 2 0 196.338 2.201 10 0 AEAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]C1CCC=CCC1 925779896 631054131 /nfs/dbraw/zinc/05/41/31/631054131.db2.gz NNTJXXBGRHGTTO-WDEREUQCSA-N 2 0 196.338 2.201 10 0 AEAERP CC(C)[C@H]1CC[C@@H]1[NH2+]CCC(C)(C)[NH3+] 925736563 631054393 /nfs/dbraw/zinc/05/43/93/631054393.db2.gz BLPRLUSGIFAEIL-MNOVXSKESA-N 2 0 198.354 2.138 10 0 AEAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)CC1(C)C 925733617 631054773 /nfs/dbraw/zinc/05/47/73/631054773.db2.gz KWSIDDANSQDQLJ-NHCYSSNCSA-N 2 0 198.354 2.138 10 0 AEAERP CCC[C@@H](CC)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 925882307 631056482 /nfs/dbraw/zinc/05/64/82/631056482.db2.gz KKKNBLYIVQLGCC-GRYCIOLGSA-N 2 0 198.354 2.282 10 0 AEAERP CCC[C@H](CC)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 925882308 631057146 /nfs/dbraw/zinc/05/71/46/631057146.db2.gz KKKNBLYIVQLGCC-WOPDTQHZSA-N 2 0 198.354 2.282 10 0 AEAERP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)C 925877742 631057198 /nfs/dbraw/zinc/05/71/98/631057198.db2.gz WJSCXDPTSZCSNO-WOPDTQHZSA-N 2 0 198.354 2.138 10 0 AEAERP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)C 925877741 631057817 /nfs/dbraw/zinc/05/78/17/631057817.db2.gz WJSCXDPTSZCSNO-GRYCIOLGSA-N 2 0 198.354 2.138 10 0 AEAERP CCCC[NH+]1CCC(C)([NH+](C)C)CC1 931350788 631123112 /nfs/dbraw/zinc/12/31/12/631123112.db2.gz YFJMTQAMRCBBFJ-UHFFFAOYSA-N 2 0 198.354 2.203 10 0 AEAERP CC[C@@H](C)[NH+]1CCC(C)([NH+](C)C)CC1 931355896 631122225 /nfs/dbraw/zinc/12/22/25/631122225.db2.gz XBMMZOBNHJHBSA-LLVKDONJSA-N 2 0 198.354 2.201 10 0 AEAERP CC[C@H](C)[NH+]1CCC(C)([NH+](C)C)CC1 931355897 631122951 /nfs/dbraw/zinc/12/29/51/631122951.db2.gz XBMMZOBNHJHBSA-NSHDSACASA-N 2 0 198.354 2.201 10 0 AEAERP CC(C)C[NH+]1CCC(C)([NH+](C)C)CC1 931349886 631123096 /nfs/dbraw/zinc/12/30/96/631123096.db2.gz OXLDSAZXQIKFOH-UHFFFAOYSA-N 2 0 198.354 2.059 10 0 AEAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C)C1 253263047 631166904 /nfs/dbraw/zinc/16/69/04/631166904.db2.gz ISAIIAPEBZOVPQ-SDDRHHMPSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](C)C1 253263048 631167311 /nfs/dbraw/zinc/16/73/11/631167311.db2.gz ISAIIAPEBZOVPQ-SRVKXCTJSA-N 2 0 198.354 2.138 10 0 AEAERP CC(C)CCC[N@@H+]1CC[NH2+][C@@H](C)CC1 62097622 1224171092 /nfs/dbraw/zinc/17/10/92/1224171092.db2.gz DUTBCTNSHOHKTP-LBPRGKRZSA-N 2 0 198.354 2.106 10 0 AEAERP CC(C)CCC[N@@H+]1CC[NH2+][C@H](C)CC1 62097619 1224171265 /nfs/dbraw/zinc/17/12/65/1224171265.db2.gz DUTBCTNSHOHKTP-GFCCVEGCSA-N 2 0 198.354 2.106 10 0 AEAERP CCCCCC[N@@H+]1CC[NH2+][C@@H](C)CC1 62568406 1224172513 /nfs/dbraw/zinc/17/25/13/1224172513.db2.gz JOOJUYXJHJTMGV-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCCCCC[N@@H+]1CCC[NH2+]C[C@@H]1C 62568370 1224172550 /nfs/dbraw/zinc/17/25/50/1224172550.db2.gz OCDRFVIJSFNJFI-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCCCCC[N@@H+]1CCC[NH2+][C@@H](C)C1 62568390 1224172658 /nfs/dbraw/zinc/17/26/58/1224172658.db2.gz BSMNCVIXVRBHHI-LBPRGKRZSA-N 2 0 198.354 2.251 10 0 AEAERP CCCCCC[N@@H+]1CC[NH2+][C@H](C)CC1 62568407 1224172821 /nfs/dbraw/zinc/17/28/21/1224172821.db2.gz JOOJUYXJHJTMGV-GFCCVEGCSA-N 2 0 198.354 2.251 10 0 AEAERP CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C)C1 231788478 1224232158 /nfs/dbraw/zinc/23/21/58/1224232158.db2.gz LELRDBNZQBJXTM-RYUDHWBXSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+](C)C1 231788475 1224232313 /nfs/dbraw/zinc/23/23/13/1224232313.db2.gz LELRDBNZQBJXTM-NWDGAFQWSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@H+](C)C1 231788480 1224232553 /nfs/dbraw/zinc/23/25/53/1224232553.db2.gz LELRDBNZQBJXTM-VXGBXAGGSA-N 2 0 198.354 2.106 10 0 AEAERP CCC[C@H](CC)[NH2+]C[C@H]1CC[N@H+](C)C1 231788483 1224232896 /nfs/dbraw/zinc/23/28/96/1224232896.db2.gz LELRDBNZQBJXTM-NEPJUHHUSA-N 2 0 198.354 2.106 10 0 AEAERP CCCC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 308973233 1224300693 /nfs/dbraw/zinc/30/06/93/1224300693.db2.gz FUSNXWXDFTZEKI-NSHDSACASA-N 2 0 198.354 2.378 10 0 AEAERP CCCC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 308973232 1224300739 /nfs/dbraw/zinc/30/07/39/1224300739.db2.gz FUSNXWXDFTZEKI-LLVKDONJSA-N 2 0 198.354 2.378 10 0 AEAERP CCC(CC)C[N@@H+]1CCC[C@@H]([NH3+])CC1 393222580 1224332447 /nfs/dbraw/zinc/33/24/47/1224332447.db2.gz VPCCCBUCXIKUCN-GFCCVEGCSA-N 2 0 198.354 2.236 10 0 AEAERP CCC(CC)C[N@@H+]1CCC[C@H]([NH3+])CC1 393222583 1224332878 /nfs/dbraw/zinc/33/28/78/1224332878.db2.gz VPCCCBUCXIKUCN-LBPRGKRZSA-N 2 0 198.354 2.236 10 0 AEAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[NH3+] 1326473969 1224433606 /nfs/dbraw/zinc/43/36/06/1224433606.db2.gz RDAFPHDOQFDYRK-MNOVXSKESA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCC[NH3+] 1326473970 1224433707 /nfs/dbraw/zinc/43/37/07/1224433707.db2.gz RDAFPHDOQFDYRK-QWRGUYRKSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCC[NH3+] 1326473968 1224434076 /nfs/dbraw/zinc/43/40/76/1224434076.db2.gz RDAFPHDOQFDYRK-GHMZBOCLSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCC[NH3+] 1326473971 1224434046 /nfs/dbraw/zinc/43/40/46/1224434046.db2.gz RDAFPHDOQFDYRK-WDEREUQCSA-N 2 0 198.354 2.140 10 0 AEAERP CC(C)[NH+](C(C)C)[C@H]1CC[NH2+][C@@H](C)C1 675056494 538449252 /nfs/dbraw/zinc/44/92/52/538449252.db2.gz RNRBTTPAZQHSTN-RYUDHWBXSA-N 2 0 198.354 2.246 10 0 AEAERP CC(C)[NH+](CCC[NH2+]C1CC1)C(C)C 675056717 538449611 /nfs/dbraw/zinc/44/96/11/538449611.db2.gz WAJVXVBIVWUXCG-UHFFFAOYSA-N 2 0 198.354 2.247 10 0 AEAERP