smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCNC(=O)NC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326130 362222679 /nfs/dbraw/zinc/22/26/79/362222679.db2.gz KHEDJZLAXYLHST-QWRGUYRKSA-N 2 0 270.377 0.139 10 0 CCAERP CC(C)(O)CNc1cc(N2CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000114700038 349837511 /nfs/dbraw/zinc/83/75/11/349837511.db2.gz HLUMDVKTRUIFPO-JTQLQIEISA-N 2 0 250.346 0.802 10 0 CCAERP CC1(C)CN(CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000261620984 137012597 /nfs/dbraw/zinc/01/25/97/137012597.db2.gz URUIEFDBBDEHRD-SNVBAGLBSA-N 2 0 268.361 0.034 10 0 CCAERP Cn1cnc2cc(CNC[C@@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC000263180976 137059638 /nfs/dbraw/zinc/05/96/38/137059638.db2.gz GUJDTVZKXCUACW-RISCZKNCSA-N 2 0 260.341 0.243 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000262265932 137033564 /nfs/dbraw/zinc/03/35/64/137033564.db2.gz RZGIYODULLFFBF-IUODEOHRSA-N 2 0 273.380 0.985 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000062972349 348673724 /nfs/dbraw/zinc/67/37/24/348673724.db2.gz ZLMMYGAGLRIFGY-CYBMUJFWSA-N 2 0 253.390 0.929 10 0 CCAERP C[N@@H+]1CCC[C@@H](NC(=O)CCOC2CC[NH2+]CC2)C1 ZINC000104379581 185986802 /nfs/dbraw/zinc/98/68/02/185986802.db2.gz UEIVILYNXLTHKF-GFCCVEGCSA-N 2 0 269.389 0.356 10 0 CCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129721357 350221380 /nfs/dbraw/zinc/22/13/80/350221380.db2.gz HRTJAYDBOPYQJM-CYBMUJFWSA-N 2 0 284.448 0.517 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000130297848 350233844 /nfs/dbraw/zinc/23/38/44/350233844.db2.gz UBQKFNTYNHJVAD-DYEKYZERSA-N 2 0 280.416 0.957 10 0 CCAERP CC[NH+](CC)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131190542 350266241 /nfs/dbraw/zinc/26/62/41/350266241.db2.gz OABFWCNFSIRYFG-UHFFFAOYSA-N 2 0 270.421 0.128 10 0 CCAERP C[NH+](C)CCCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131272168 350270077 /nfs/dbraw/zinc/27/00/77/350270077.db2.gz ACEHLGVVOBBCGY-UHFFFAOYSA-N 2 0 270.421 0.128 10 0 CCAERP C[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000169791318 350840261 /nfs/dbraw/zinc/84/02/61/350840261.db2.gz VRIMXQYLMRSQJQ-CYBMUJFWSA-N 2 0 268.401 0.802 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000176257540 351165901 /nfs/dbraw/zinc/16/59/01/351165901.db2.gz AEKLFJHVUZQVSV-LBPRGKRZSA-N 2 0 256.394 0.674 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000228916418 352086613 /nfs/dbraw/zinc/08/66/13/352086613.db2.gz YYODTRBINYCFKK-NFFDBFGFSA-N 2 0 295.427 0.681 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)C3([NH3+])CCCC3)CC2)CCO1 ZINC000237397797 352263085 /nfs/dbraw/zinc/26/30/85/352263085.db2.gz PULBUXMYAABWGP-CYBMUJFWSA-N 2 0 295.427 0.970 10 0 CCAERP C[C@H](C(N)=O)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245385378 352318259 /nfs/dbraw/zinc/31/82/59/352318259.db2.gz CGWKHCIUZFUMJK-FRRDWIJNSA-N 2 0 283.416 0.681 10 0 CCAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC000305767990 354161121 /nfs/dbraw/zinc/16/11/21/354161121.db2.gz TYXXNECPYLTMOG-IUODEOHRSA-N 2 0 295.427 0.432 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000335394076 354994632 /nfs/dbraw/zinc/99/46/32/354994632.db2.gz DTKRDWVDLYQIDQ-YPMHNXCESA-N 2 0 266.389 0.522 10 0 CCAERP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000178784149 283398711 /nfs/dbraw/zinc/39/87/11/283398711.db2.gz CGRGQTMHSPBCSY-HNNXBMFYSA-N 2 0 285.391 0.789 10 0 CCAERP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000183673312 189365389 /nfs/dbraw/zinc/36/53/89/189365389.db2.gz BQAYHDPTDPMQNS-GFCCVEGCSA-N 2 0 292.383 0.550 10 0 CCAERP CC(C)(C)OC(=O)NCC[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000616635737 365395945 /nfs/dbraw/zinc/39/59/45/365395945.db2.gz LBYCEJVRZOGTJU-LLVKDONJSA-N 2 0 272.393 0.134 10 0 CCAERP CC(C)(C)n1nnc(CNC2CCC([NH3+])CC2)n1 ZINC000656199957 412763861 /nfs/dbraw/zinc/76/38/61/412763861.db2.gz HCDNKJSAQWXIHF-UHFFFAOYSA-N 2 0 252.366 0.788 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOC3CCOCC3)C[C@@H]12 ZINC000629519761 369689025 /nfs/dbraw/zinc/68/90/25/369689025.db2.gz QXNMMACWLAJNHU-MRVWCRGKSA-N 2 0 254.374 0.851 10 0 CCAERP C[C@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000333626852 205523926 /nfs/dbraw/zinc/52/39/26/205523926.db2.gz FZCVZLISZDGMRQ-WCQYABFASA-N 2 0 266.389 0.675 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638078447 374635966 /nfs/dbraw/zinc/63/59/66/374635966.db2.gz BLQWRPCBLVQGDD-NSHDSACASA-N 2 0 263.345 0.149 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638107775 374674529 /nfs/dbraw/zinc/67/45/29/374674529.db2.gz GPXBOXRFRSUAOK-DZGCQCFKSA-N 2 0 283.416 0.685 10 0 CCAERP [NH3+]C[C@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCOC1 ZINC000638109375 374675612 /nfs/dbraw/zinc/67/56/12/374675612.db2.gz ULRMUVAQXUZEGB-TZMCWYRMSA-N 2 0 267.373 0.049 10 0 CCAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334441766 206536677 /nfs/dbraw/zinc/53/66/77/206536677.db2.gz BXWNQKNVTOCLQA-JSGCOSHPSA-N 2 0 280.416 0.959 10 0 CCAERP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335305573 208150155 /nfs/dbraw/zinc/15/01/55/208150155.db2.gz QSLATJVYJNDHOO-OLZOCXBDSA-N 2 0 266.389 0.476 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000335388316 208339347 /nfs/dbraw/zinc/33/93/47/208339347.db2.gz WKSUBPIQCZPMNV-UHFFFAOYSA-N 2 0 266.389 0.618 10 0 CCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000220318278 389139430 /nfs/dbraw/zinc/13/94/30/389139430.db2.gz HRKWJJLKJWFGLQ-JHJVBQTASA-N 2 0 269.389 0.306 10 0 CCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2COCCN2)C1 ZINC000237549011 389191135 /nfs/dbraw/zinc/19/11/35/389191135.db2.gz DVIIWZKOHWSWKH-KFWWJZLASA-N 2 0 297.443 0.849 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334988349 389517845 /nfs/dbraw/zinc/51/78/45/389517845.db2.gz MSQDCESVELZGBT-GXTWGEPZSA-N 2 0 251.374 0.588 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000335028457 389531755 /nfs/dbraw/zinc/53/17/55/389531755.db2.gz LCTWCHLCSIYPQN-MLZVIGOLSA-N 2 0 250.386 0.981 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C ZINC000178774491 389622066 /nfs/dbraw/zinc/62/20/66/389622066.db2.gz GFTOBRXBMIBOPG-WDEREUQCSA-N 2 0 257.378 0.027 10 0 CCAERP CCN(CCC[NH+](C)C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643783519 390548759 /nfs/dbraw/zinc/54/87/59/390548759.db2.gz WLSVVNIIRYUTOY-AWEZNQCLSA-N 2 0 271.405 0.555 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)CC[C@@H]21 ZINC000643793062 390552564 /nfs/dbraw/zinc/55/25/64/390552564.db2.gz MJIRXWNUTYQEEL-RDBSUJKOSA-N 2 0 281.400 0.165 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)CC[C@@H]21 ZINC000643793060 390553246 /nfs/dbraw/zinc/55/32/46/390553246.db2.gz MJIRXWNUTYQEEL-MCIONIFRSA-N 2 0 281.400 0.165 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649298053 390557475 /nfs/dbraw/zinc/55/74/75/390557475.db2.gz NDJHTNVYMLAUNQ-GXTWGEPZSA-N 2 0 269.389 0.213 10 0 CCAERP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000649301599 390561560 /nfs/dbraw/zinc/56/15/60/390561560.db2.gz GENHNPLRNXDRPL-IPYPFGDCSA-N 2 0 281.400 0.498 10 0 CCAERP COC[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000649316913 390574149 /nfs/dbraw/zinc/57/41/49/390574149.db2.gz ZBOHWCBGVKIDRM-DZGCQCFKSA-N 2 0 281.400 0.452 10 0 CCAERP C(CC[NH2+]CCCN1CC1)C[NH2+]CCCN1CC1 ZINC000003951851 169926203 /nfs/dbraw/zinc/92/62/03/169926203.db2.gz MFILNQOTFAILOU-UHFFFAOYSA-N 2 0 254.422 0.357 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000044538739 411629073 /nfs/dbraw/zinc/62/90/73/411629073.db2.gz GIIPVHWFADBDEV-PNESKVBLSA-N 2 0 253.390 0.962 10 0 CCAERP C[NH+](C)C1CN([C@@H](C[NH3+])C(F)(F)C(F)(F)F)C1 ZINC000616570098 411840187 /nfs/dbraw/zinc/84/01/87/411840187.db2.gz PXMHVVXMBBHRSR-ZETCQYMHSA-N 2 0 261.238 0.757 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022214502 171374897 /nfs/dbraw/zinc/37/48/97/171374897.db2.gz TZYIDHGHLAMCBW-UHFFFAOYSA-N 2 0 285.413 0.765 10 0 CCAERP C[NH+](C)CCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653110892 412223884 /nfs/dbraw/zinc/22/38/84/412223884.db2.gz YADXYSXWIJYJQK-NXEZZACHSA-N 2 0 281.322 0.842 10 0 CCAERP C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCCCC[NH3+])CC1 ZINC000037038854 172906765 /nfs/dbraw/zinc/90/67/65/172906765.db2.gz ATHWDMJKEHJYFB-QWHCGFSZSA-N 2 0 253.390 0.916 10 0 CCAERP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000662263226 414702463 /nfs/dbraw/zinc/70/24/63/414702463.db2.gz LKLHROWSWRSJIZ-QWHCGFSZSA-N 2 0 251.374 0.287 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662845071 414835608 /nfs/dbraw/zinc/83/56/08/414835608.db2.gz DGUBDCPMYZFZPQ-CHWSQXEVSA-N 2 0 283.416 0.459 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000071189610 176065543 /nfs/dbraw/zinc/06/55/43/176065543.db2.gz JSGJNLDXQHDESY-GXTWGEPZSA-N 2 0 253.390 0.786 10 0 CCAERP CSCC[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258303 545882089 /nfs/dbraw/zinc/88/20/89/545882089.db2.gz NRWNVRIUGBWORQ-VIFPVBQESA-N 2 0 255.391 0.520 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000089460653 544514213 /nfs/dbraw/zinc/51/42/13/544514213.db2.gz FOAKHTCPBLIAJB-CHWSQXEVSA-N 2 0 253.390 0.964 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000091393992 544526858 /nfs/dbraw/zinc/52/68/58/544526858.db2.gz DAAQIIHFTSLLLS-UPJWGTAASA-N 2 0 253.390 0.914 10 0 CCAERP C[C@H](CNC(=O)c1ccc(C[NH3+])o1)N1CCOCC1 ZINC000164913124 544721155 /nfs/dbraw/zinc/72/11/55/544721155.db2.gz MHLXICSDZYUITB-SNVBAGLBSA-N 2 0 267.329 0.189 10 0 CCAERP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220563748 544815442 /nfs/dbraw/zinc/81/54/42/544815442.db2.gz BXFOUXRBRYUDHU-ZIAGYGMSSA-N 2 0 253.390 0.393 10 0 CCAERP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262148417 544942315 /nfs/dbraw/zinc/94/23/15/544942315.db2.gz HOOWPNDDLDTOKU-MNOVXSKESA-N 2 0 283.397 0.120 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333493202 545039705 /nfs/dbraw/zinc/03/97/05/545039705.db2.gz DMZHDLWUIDHBMZ-VLJOUNFMSA-N 2 0 266.389 0.506 10 0 CCAERP CC1(C)CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@@H]1[NH3+] ZINC000334920395 278307565 /nfs/dbraw/zinc/30/75/65/278307565.db2.gz DWZVFXVNQVWFCZ-AAEUAGOBSA-N 2 0 280.416 0.992 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163910182 278972744 /nfs/dbraw/zinc/97/27/44/278972744.db2.gz WRVXJWFXLJWLHX-AAEUAGOBSA-N 2 0 255.406 0.934 10 0 CCAERP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[N@H+](C)Cc1ccccc1 ZINC000262326895 279226336 /nfs/dbraw/zinc/22/63/36/279226336.db2.gz GFMPPVCXJWJXMN-YUELXQCFSA-N 2 0 291.395 0.203 10 0 CCAERP CC1(C)CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000261752670 281206261 /nfs/dbraw/zinc/20/62/61/281206261.db2.gz DWOOJKFVHRTALN-LALPHHSUSA-N 2 0 265.401 0.962 10 0 CCAERP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000334928264 289370553 /nfs/dbraw/zinc/37/05/53/289370553.db2.gz JAUAOETVRFZMKM-STQMWFEESA-N 2 0 268.405 0.864 10 0 CCAERP O=C(C1C[NH2+]C1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000367810649 295454685 /nfs/dbraw/zinc/45/46/85/295454685.db2.gz RHKMZBZQJKVTBG-ZDUSSCGKSA-N 2 0 251.374 0.683 10 0 CCAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000262402250 300395914 /nfs/dbraw/zinc/39/59/14/300395914.db2.gz OHOYJUXTHGYYJY-AVGNSLFASA-N 2 0 253.390 0.927 10 0 CCAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000235678803 300396058 /nfs/dbraw/zinc/39/60/58/300396058.db2.gz OHOYJUXTHGYYJY-RWMBFGLXSA-N 2 0 253.390 0.927 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261962140 303426211 /nfs/dbraw/zinc/42/62/11/303426211.db2.gz KMCKFXYIJVAFKG-YVECIDJPSA-N 2 0 253.390 0.995 10 0 CCAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000188752784 327758838 /nfs/dbraw/zinc/75/88/38/327758838.db2.gz BPDVCHGCWCMAPR-QJPTWQEYSA-N 2 0 255.337 0.383 10 0 CCAERP Cn1cc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cn1 ZINC000061641969 521874072 /nfs/dbraw/zinc/87/40/72/521874072.db2.gz OAQMYMBSIDGLTK-CHWSQXEVSA-N 2 0 251.378 0.446 10 0 CCAERP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000052395820 522436975 /nfs/dbraw/zinc/43/69/75/522436975.db2.gz FDQKFCQHZOSWGR-TZMCWYRMSA-N 2 0 261.369 0.985 10 0 CCAERP CCOCCOC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557136 519996626 /nfs/dbraw/zinc/99/66/26/519996626.db2.gz SQSKLSCJRUOEKP-STQMWFEESA-N 2 0 262.394 0.330 10 0 CCAERP CC[NH2+][C@@H](C)CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000061273614 520064200 /nfs/dbraw/zinc/06/42/00/520064200.db2.gz FBASHFAGAOBIBB-ZDUSSCGKSA-N 2 0 270.421 0.128 10 0 CCAERP CCCC[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643143 521045113 /nfs/dbraw/zinc/04/51/13/521045113.db2.gz QNQWMTQVJNTZAM-AWEZNQCLSA-N 2 0 256.438 0.683 10 0 CCAERP C[NH+](C)CCN1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000061644453 521764748 /nfs/dbraw/zinc/76/47/48/521764748.db2.gz ZSLVCUPGRKTKJD-AWEZNQCLSA-N 2 0 254.422 0.308 10 0 CCAERP COc1c(C)cnc(CN(CC[NH3+])CC[NH3+])c1C ZINC000061805859 521808807 /nfs/dbraw/zinc/80/88/07/521808807.db2.gz KPVFPEJOYTWURS-UHFFFAOYSA-N 2 0 252.362 0.426 10 0 CCAERP CN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049641525 522415049 /nfs/dbraw/zinc/41/50/49/522415049.db2.gz BKTXLLXHBMGJAC-LLVKDONJSA-N 2 0 275.418 0.094 10 0 CCAERP CC[C@H]([NH2+]C)[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061643853 522556764 /nfs/dbraw/zinc/55/67/64/522556764.db2.gz VYSDONYXKMJSNO-KGLIPLIRSA-N 2 0 256.438 0.552 10 0 CCAERP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCC[NH3+])c1 ZINC000051356072 524178871 /nfs/dbraw/zinc/17/88/71/524178871.db2.gz LYZOXWUUGCCYML-ZDUSSCGKSA-N 2 0 252.358 0.982 10 0 CCAERP CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000616569676 545103098 /nfs/dbraw/zinc/10/30/98/545103098.db2.gz JLPYBCSNTVCVCM-DGCLKSJQSA-N 2 0 253.390 0.833 10 0 CCAERP C[NH2+]CCC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000262329223 536443635 /nfs/dbraw/zinc/44/36/35/536443635.db2.gz GLPLQVGGKZGOIY-GFCCVEGCSA-N 2 0 269.389 0.308 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000310667886 623438343 /nfs/dbraw/zinc/43/83/43/623438343.db2.gz FKHQXKICPSQGEP-RTXFEEFZSA-N 2 0 251.374 0.809 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227411537 637025749 /nfs/dbraw/zinc/02/57/49/637025749.db2.gz IEEPUJQHIIYNCI-XQQFMLRXSA-N 2 0 269.389 0.435 10 0 CCAERP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090798880 349443758 /nfs/dbraw/zinc/44/37/58/349443758.db2.gz PRKPHWJYXGYSDS-XQQFMLRXSA-N 2 0 289.445 0.340 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543814 349466406 /nfs/dbraw/zinc/46/64/06/349466406.db2.gz MMCOQMHRECAXEX-CHWSQXEVSA-N 2 0 253.390 0.962 10 0 CCAERP CCC[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[NH+](C)C ZINC000153129209 290674577 /nfs/dbraw/zinc/67/45/77/290674577.db2.gz GSPSJLGMHYQNLX-CQSZACIVSA-N 2 0 285.432 0.680 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000334926536 282261674 /nfs/dbraw/zinc/26/16/74/282261674.db2.gz DGYQOUFWFAOROO-NEPJUHHUSA-N 2 0 254.378 0.474 10 0 CCAERP O=C(COC1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113705043 349818246 /nfs/dbraw/zinc/81/82/46/349818246.db2.gz NQSIEOOCFRVXDH-GFCCVEGCSA-N 2 0 267.373 0.062 10 0 CCAERP [NH3+]CCN(CCc1ccccc1)C(=O)COC1C[NH2+]C1 ZINC000261656131 137014314 /nfs/dbraw/zinc/01/43/14/137014314.db2.gz DWBNGBMDDACLOY-UHFFFAOYSA-N 2 0 277.368 0.005 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)O1 ZINC000261801239 137020659 /nfs/dbraw/zinc/02/06/59/137020659.db2.gz OEPQQXBJYSXWLC-KFWWJZLASA-N 2 0 295.427 0.873 10 0 CCAERP C[NH2+]CCC1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC000262006102 137027858 /nfs/dbraw/zinc/02/78/58/137027858.db2.gz GVWOQBRPYXCEOI-ZDUSSCGKSA-N 2 0 283.416 0.555 10 0 CCAERP C[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262332909 137038907 /nfs/dbraw/zinc/03/89/07/137038907.db2.gz GXLHOTBOAXFVTJ-DDTOSNHZSA-N 2 0 279.359 0.982 10 0 CCAERP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1-n1cncn1 ZINC000263254389 137061973 /nfs/dbraw/zinc/06/19/73/137061973.db2.gz QISWCBONRIDXRH-UKRRQHHQSA-N 2 0 287.367 0.246 10 0 CCAERP O[C@H](C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000310957908 137073529 /nfs/dbraw/zinc/07/35/29/137073529.db2.gz AONKJRJZXSKQKJ-UONOGXRCSA-N 2 0 256.390 0.849 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129800088 350223268 /nfs/dbraw/zinc/22/32/68/350223268.db2.gz LEEWSSXYKJKVDH-CQSZACIVSA-N 2 0 296.459 0.613 10 0 CCAERP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000151251294 350496765 /nfs/dbraw/zinc/49/67/65/350496765.db2.gz OWJJQEPWRUQMSI-ILXRZTDVSA-N 3 0 269.433 0.906 10 0 CCAERP C[C@H]1C[N@@H+](C2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000165907464 350793741 /nfs/dbraw/zinc/79/37/41/350793741.db2.gz YPNGZBPRAUELAC-KBPBESRZSA-N 2 0 295.427 0.840 10 0 CCAERP C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171897797 350941440 /nfs/dbraw/zinc/94/14/40/350941440.db2.gz RPKFFSWWABHJRL-ZDUSSCGKSA-N 2 0 266.389 0.570 10 0 CCAERP CN1CCN([C@H]2CCCC[N@H+](CCn3cccn3)C2)CC1 ZINC000174903583 351110086 /nfs/dbraw/zinc/11/00/86/351110086.db2.gz DKEZBILRBYOHDB-INIZCTEOSA-N 2 0 291.443 0.985 10 0 CCAERP CC(C)C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+](C)C ZINC000188708260 351619986 /nfs/dbraw/zinc/61/99/86/351619986.db2.gz KEQOOGTXRJZLST-LLVKDONJSA-N 2 0 293.415 0.762 10 0 CCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246562836 352373822 /nfs/dbraw/zinc/37/38/22/352373822.db2.gz ZMPWOGFEQNMRAA-KBPBESRZSA-N 2 0 298.431 0.348 10 0 CCAERP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000249058408 352475662 /nfs/dbraw/zinc/47/56/62/352475662.db2.gz ZIHGVJRBIXOXIT-ZKXZWOTCSA-N 2 0 295.427 0.837 10 0 CCAERP COC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250362865 352504514 /nfs/dbraw/zinc/50/45/14/352504514.db2.gz GMERJPDFDDNVQZ-QWHCGFSZSA-N 2 0 297.399 0.130 10 0 CCAERP COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000300257733 354061025 /nfs/dbraw/zinc/06/10/25/354061025.db2.gz GGPKRIZGZRTQRO-MELADBBJSA-N 2 0 274.405 0.282 10 0 CCAERP O=C1NCCN1CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000328685511 202010236 /nfs/dbraw/zinc/01/02/36/202010236.db2.gz XMLQGTNKBOHKLW-ZDUSSCGKSA-N 2 0 276.340 0.764 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C)CC2)C1 ZINC000334434281 354864077 /nfs/dbraw/zinc/86/40/77/354864077.db2.gz NMFBEPXDWXDGNC-GFCCVEGCSA-N 2 0 254.378 0.428 10 0 CCAERP O[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[NH+]1CCCCC1 ZINC000386160591 357729819 /nfs/dbraw/zinc/72/98/19/357729819.db2.gz QMWLBOVROLBENG-MGPQQGTHSA-N 2 0 256.390 0.726 10 0 CCAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@H](CC[NH3+])C1 ZINC000616662348 365415391 /nfs/dbraw/zinc/41/53/91/365415391.db2.gz AMPKGQHWJCMOOR-GFCCVEGCSA-N 2 0 287.404 0.808 10 0 CCAERP CCOC(=O)c1cccc([C@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616654730 365409425 /nfs/dbraw/zinc/40/94/25/365409425.db2.gz ODKKLSQPXDMMAY-CQSZACIVSA-N 2 0 277.368 0.768 10 0 CCAERP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000629556588 369706730 /nfs/dbraw/zinc/70/67/30/369706730.db2.gz TZJWAEHFMIVHAX-DMDPSCGWSA-N 2 0 251.374 0.727 10 0 CCAERP C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[N@H+](C)C1CC1 ZINC000634767454 372213862 /nfs/dbraw/zinc/21/38/62/372213862.db2.gz WXSSFIASAFCFOD-HUBLWGQQSA-N 2 0 265.401 0.975 10 0 CCAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766950 372214281 /nfs/dbraw/zinc/21/42/81/372214281.db2.gz CCFOTHPLOAFPCG-YDHLFZDLSA-N 2 0 265.401 0.929 10 0 CCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333362653 205256543 /nfs/dbraw/zinc/25/65/43/205256543.db2.gz LIEORQLMXGCCAB-QWHCGFSZSA-N 2 0 268.405 0.770 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCC1C[NH2+]C1 ZINC000638109005 374675909 /nfs/dbraw/zinc/67/59/09/374675909.db2.gz QOLCUAPGOCNDLR-ZDUSSCGKSA-N 2 0 253.390 0.929 10 0 CCAERP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000638109918 374679053 /nfs/dbraw/zinc/67/90/53/374679053.db2.gz ZOAJIUIMCXPFAC-SGMGOOAPSA-N 2 0 267.373 0.060 10 0 CCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334916530 207288611 /nfs/dbraw/zinc/28/86/11/207288611.db2.gz BCTVGDMRTMKCNL-ZDUSSCGKSA-N 2 0 280.416 0.866 10 0 CCAERP CSC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000187879689 388900747 /nfs/dbraw/zinc/90/07/47/388900747.db2.gz ICDWFCMBJMJLED-JSGCOSHPSA-N 2 0 290.473 0.735 10 0 CCAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000333431711 389413246 /nfs/dbraw/zinc/41/32/46/389413246.db2.gz URPNYXRWOILAPP-MGPQQGTHSA-N 2 0 282.432 0.953 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333696297 389440149 /nfs/dbraw/zinc/44/01/49/389440149.db2.gz QGZSOAQOPFMYJR-UPJWGTAASA-N 2 0 266.389 0.522 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000335154021 389539224 /nfs/dbraw/zinc/53/92/24/389539224.db2.gz WMTRICXIEFBCJS-LLVKDONJSA-N 2 0 266.389 0.617 10 0 CCAERP CC(C)[N@H+](C)CC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181412004 389685345 /nfs/dbraw/zinc/68/53/45/389685345.db2.gz KWPDMYQPVIORTL-ZDUSSCGKSA-N 2 0 279.388 0.233 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000399197071 389789058 /nfs/dbraw/zinc/78/90/58/389789058.db2.gz LWWHDOUNFFDMFT-RYUDHWBXSA-N 2 0 251.374 0.681 10 0 CCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000408094436 389826482 /nfs/dbraw/zinc/82/64/82/389826482.db2.gz HEVXKQWOIOHXGP-UPJWGTAASA-N 2 0 289.445 0.198 10 0 CCAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649276665 390544690 /nfs/dbraw/zinc/54/46/90/390544690.db2.gz YQCKTKTZAWJRSY-GFCCVEGCSA-N 2 0 257.378 0.071 10 0 CCAERP COC[C@@]1(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CCC[NH2+]1 ZINC000649285094 390550581 /nfs/dbraw/zinc/55/05/81/390550581.db2.gz CXNPVYKHRGJTSQ-UKRRQHHQSA-N 2 0 285.432 0.848 10 0 CCAERP COC[C@]1(C(=O)NCCC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000649309600 390567850 /nfs/dbraw/zinc/56/78/50/390567850.db2.gz YYARSDXNXKEVAB-HNNXBMFYSA-N 2 0 283.416 0.603 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000646533849 390691214 /nfs/dbraw/zinc/69/12/14/390691214.db2.gz IFBFBBYNMYBMDE-XQQFMLRXSA-N 2 0 253.390 0.785 10 0 CCAERP [NH3+]C1CCC(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000037812663 397387374 /nfs/dbraw/zinc/38/73/74/397387374.db2.gz MLYKLZYTQACEJE-WXRRBKDZSA-N 2 0 251.374 0.811 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+]2CCC[C@H]2C1 ZINC000310945215 411748182 /nfs/dbraw/zinc/74/81/82/411748182.db2.gz XQKGUKPBLVRMBC-UONOGXRCSA-N 2 0 255.406 0.468 10 0 CCAERP CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022211578 171373937 /nfs/dbraw/zinc/37/39/37/171373937.db2.gz HFYPOILBMUOECE-UHFFFAOYSA-N 2 0 297.424 0.860 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653150267 412243313 /nfs/dbraw/zinc/24/33/13/412243313.db2.gz WWGUVXJMTVDXQA-OPRDCNLKSA-N 2 0 279.306 0.547 10 0 CCAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCOC[C@@H]2C)CC1 ZINC000035774930 172410774 /nfs/dbraw/zinc/41/07/74/172410774.db2.gz ZCQTZEKNGRMXKI-ZDUSSCGKSA-N 2 0 255.406 0.909 10 0 CCAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)C1CCC2(CC1)OCCO2 ZINC000038030900 174024069 /nfs/dbraw/zinc/02/40/69/174024069.db2.gz VITQMHRPGWOYCF-UHFFFAOYSA-N 2 0 297.399 0.036 10 0 CCAERP C[C@@H](O)C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256960 414700745 /nfs/dbraw/zinc/70/07/45/414700745.db2.gz KQUPIWUTWFLUDO-DGCLKSJQSA-N 2 0 254.374 0.600 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000662855136 414846426 /nfs/dbraw/zinc/84/64/26/414846426.db2.gz VUDTYQOWHZAYGM-LLVKDONJSA-N 2 0 269.389 0.483 10 0 CCAERP C[C@H](CCNC(=O)C1(C[NH3+])CCOCC1)[NH+](C)C ZINC000662857630 414850237 /nfs/dbraw/zinc/85/02/37/414850237.db2.gz BPRLQPKIOTWYCS-LLVKDONJSA-N 2 0 257.378 0.198 10 0 CCAERP C[NH+](C)CC1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042388896 174705855 /nfs/dbraw/zinc/70/58/55/174705855.db2.gz UIRYQELEGOOCCJ-CYBMUJFWSA-N 2 0 289.445 0.342 10 0 CCAERP CC(C)C[NH+](CC(C)C)C[C@H](O)CN1CC[NH2+]CC1 ZINC000045919678 175386194 /nfs/dbraw/zinc/38/61/94/175386194.db2.gz RDNNHVXTMNFCNI-OAHLLOKOSA-N 2 0 271.449 0.867 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000071193293 176075196 /nfs/dbraw/zinc/07/51/96/176075196.db2.gz FNDDEJMEUOFGBJ-XQQFMLRXSA-N 2 0 253.390 0.914 10 0 CCAERP CC[NH2+]C[C@@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258054 545880899 /nfs/dbraw/zinc/88/08/99/545880899.db2.gz DUAVFITWQLKRPW-SECBINFHSA-N 2 0 251.334 0.212 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262667 545881395 /nfs/dbraw/zinc/88/13/95/545881395.db2.gz KLNVOQCWCYHMFM-BDAKNGLRSA-N 2 0 267.295 0.676 10 0 CCAERP CC[C@@H](C[NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258741 545882638 /nfs/dbraw/zinc/88/26/38/545882638.db2.gz YNAPFDNYIGFFHU-SECBINFHSA-N 2 0 251.334 0.341 10 0 CCAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089451037 544513184 /nfs/dbraw/zinc/51/31/84/544513184.db2.gz RNCMITJZXSBFKW-YPMHNXCESA-N 2 0 253.390 0.914 10 0 CCAERP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161020508 544703615 /nfs/dbraw/zinc/70/36/15/544703615.db2.gz LJIDHPYUZIYNRB-CHWSQXEVSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000252479109 544929387 /nfs/dbraw/zinc/92/93/87/544929387.db2.gz KHQXOMREGJKQBB-AVGNSLFASA-N 2 0 253.390 0.975 10 0 CCAERP c1ccc(C[NH+]2CCN(CCN[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000390617340 262228980 /nfs/dbraw/zinc/22/89/80/262228980.db2.gz YLVOPHKFIZWKSL-KRWDZBQOSA-N 2 0 288.439 0.756 10 0 CCAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000262513702 287716460 /nfs/dbraw/zinc/71/64/60/287716460.db2.gz BZIQOJRVNIJBHO-BJDJZHNGSA-N 2 0 273.446 0.864 10 0 CCAERP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000263243201 274127303 /nfs/dbraw/zinc/12/73/03/274127303.db2.gz OYNAOCZRLKMUNV-LZWOXQAQSA-N 2 0 276.380 0.722 10 0 CCAERP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000263243198 274127582 /nfs/dbraw/zinc/12/75/82/274127582.db2.gz OYNAOCZRLKMUNV-FMKPAKJESA-N 2 0 276.380 0.722 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000333634229 287920855 /nfs/dbraw/zinc/92/08/55/287920855.db2.gz HCSHOQKCKSLDFU-IJLUTSLNSA-N 2 0 254.378 0.520 10 0 CCAERP CC(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188707425 277385811 /nfs/dbraw/zinc/38/58/11/277385811.db2.gz WBHXKFIYSAHJCO-WCQYABFASA-N 2 0 271.380 0.923 10 0 CCAERP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000335395061 281280035 /nfs/dbraw/zinc/28/00/35/281280035.db2.gz IBPARRHSQYWLLJ-GFCCVEGCSA-N 2 0 266.389 0.378 10 0 CCAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000334937235 289318683 /nfs/dbraw/zinc/31/86/83/289318683.db2.gz LWLUZYNCSVMUKN-VXGBXAGGSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000333713390 290547336 /nfs/dbraw/zinc/54/73/36/290547336.db2.gz SPYVGUQUFOZKPJ-QJPTWQEYSA-N 2 0 254.378 0.507 10 0 CCAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000228221759 295319775 /nfs/dbraw/zinc/31/97/75/295319775.db2.gz WLGFTSIKFKFHSX-UPJWGTAASA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333919020 297102380 /nfs/dbraw/zinc/10/23/80/297102380.db2.gz ORGOIPUJECLTHJ-YVECIDJPSA-N 2 0 266.389 0.378 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399095974 545089094 /nfs/dbraw/zinc/08/90/94/545089094.db2.gz SNQGOLSZUZOMQU-YJNKXOJESA-N 2 0 270.417 0.780 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000389523314 545086677 /nfs/dbraw/zinc/08/66/77/545086677.db2.gz AAYSGAJCNBLMHB-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333192183 303386543 /nfs/dbraw/zinc/38/65/43/303386543.db2.gz ACQRABYPWLFPKM-STQMWFEESA-N 2 0 268.405 0.899 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333647505 303464740 /nfs/dbraw/zinc/46/47/40/303464740.db2.gz JGWPTVOUKWRCRC-LPWJVIDDSA-N 2 0 266.389 0.507 10 0 CCAERP CCc1cc(CC)nc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000382290091 336085388 /nfs/dbraw/zinc/08/53/88/336085388.db2.gz MDKDQZHSTKCLRV-CYBMUJFWSA-N 2 0 263.389 0.681 10 0 CCAERP CCC[NH2+]C[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000053012453 519922959 /nfs/dbraw/zinc/92/29/59/519922959.db2.gz SAKFLVCMKGWMPO-AWEZNQCLSA-N 2 0 255.406 0.640 10 0 CCAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000062741106 520516223 /nfs/dbraw/zinc/51/62/23/520516223.db2.gz GCNBDYQLJYBWGT-NWDGAFQWSA-N 2 0 257.378 0.341 10 0 CCAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371391 519978901 /nfs/dbraw/zinc/97/89/01/519978901.db2.gz UJEPSQAZRODQKI-CABCVRRESA-N 2 0 267.417 0.924 10 0 CCAERP C[NH+](C)CCN1CCN(C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000061643922 521764617 /nfs/dbraw/zinc/76/46/17/521764617.db2.gz IITFVGMDYNXXRJ-CYBMUJFWSA-N 2 0 256.438 0.539 10 0 CCAERP COCC[C@@H]([NH3+])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000052809713 521822355 /nfs/dbraw/zinc/82/23/55/521822355.db2.gz MSZKCJLGENWFSF-LLVKDONJSA-N 2 0 271.405 0.776 10 0 CCAERP COCC[C@H]([NH3+])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000052809714 521942271 /nfs/dbraw/zinc/94/22/71/521942271.db2.gz MSZKCJLGENWFSF-NSHDSACASA-N 2 0 271.405 0.776 10 0 CCAERP CN1CCC([N@H+](C)CCN2CCC[NH2+]CC2)CC1 ZINC000061274942 522831676 /nfs/dbraw/zinc/83/16/76/522831676.db2.gz NKCSZXBMJDNAPS-UHFFFAOYSA-N 2 0 254.422 0.308 10 0 CCAERP CC[C@H](C)[NH+]1CCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000055072046 523955577 /nfs/dbraw/zinc/95/55/77/523955577.db2.gz GJAQNJTUDJMEGY-UONOGXRCSA-N 2 0 255.406 0.768 10 0 CCAERP C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055130425 523979144 /nfs/dbraw/zinc/97/91/44/523979144.db2.gz SMNSVYSMYPDFRT-UPJWGTAASA-N 2 0 253.390 0.962 10 0 CCAERP C[C@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055136304 524178385 /nfs/dbraw/zinc/17/83/85/524178385.db2.gz RIPAFWCVBDTQQN-QNWHQSFQSA-N 2 0 253.390 0.960 10 0 CCAERP NC(=[NH2+])c1c(Cl)cccc1N1CC[NH+](CCO)CC1 ZINC000052905110 526819058 /nfs/dbraw/zinc/81/90/58/526819058.db2.gz ZLUUDTXWJYOQMW-UHFFFAOYSA-N 2 0 282.775 0.738 10 0 CCAERP [NH3+]C[C@H]1CC[C@H](CN2CC[NH+](CC3CC3)CC2)O1 ZINC000052372475 527240969 /nfs/dbraw/zinc/24/09/69/527240969.db2.gz NMBDZUAFQQKADU-ZIAGYGMSSA-N 2 0 253.390 0.520 10 0 CCAERP CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310912045 623591446 /nfs/dbraw/zinc/59/14/46/623591446.db2.gz DEEFNDCVRTVHDC-RFQIPJPRSA-N 2 0 256.390 0.833 10 0 CCAERP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000089745720 637982202 /nfs/dbraw/zinc/98/22/02/637982202.db2.gz MQBXXUSOUCVRCG-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP [NH3+]C1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000091667909 649708418 /nfs/dbraw/zinc/70/84/18/649708418.db2.gz PYLYXKNEUBUWOD-CLRIEMFWSA-N 2 0 281.400 0.483 10 0 CCAERP CN1CCO[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094754694 649748130 /nfs/dbraw/zinc/74/81/30/649748130.db2.gz CHQBOELUYUWUGH-UPJWGTAASA-N 2 0 269.389 0.341 10 0 CCAERP [NH3+][C@H](Cc1nc([C@@H]2CN3CCC[C@H]3CO2)no1)C1CC1 ZINC000252538529 649827735 /nfs/dbraw/zinc/82/77/35/649827735.db2.gz ARWGHQNVVUDUBZ-TUAOUCFPSA-N 2 0 278.356 0.885 10 0 CCAERP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCSC1 ZINC000261878641 282229967 /nfs/dbraw/zinc/22/99/67/282229967.db2.gz YTYSFEHJDQSDSY-YRGRVCCFSA-N 2 0 285.457 0.915 10 0 CCAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NCCCO)c2)C1 ZINC000116600571 349871552 /nfs/dbraw/zinc/87/15/52/349871552.db2.gz BDBWYPVDWSZXKH-NSHDSACASA-N 2 0 250.346 0.674 10 0 CCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000189317093 136925541 /nfs/dbraw/zinc/92/55/41/136925541.db2.gz MOQRPGCCPLHVJK-LSDHHAIUSA-N 2 0 297.443 0.944 10 0 CCAERP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262462791 137044030 /nfs/dbraw/zinc/04/40/30/137044030.db2.gz XJWCACMDFBTWHB-DGCLKSJQSA-N 2 0 253.390 0.962 10 0 CCAERP [NH3+]C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262253953 137033305 /nfs/dbraw/zinc/03/33/05/137033305.db2.gz SUSGNLAXTDYFOO-MBNYWOFBSA-N 2 0 251.374 0.573 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000263261410 137062219 /nfs/dbraw/zinc/06/22/19/137062219.db2.gz RAUJIFFCUNFCLV-XJKSGUPXSA-N 2 0 275.396 0.825 10 0 CCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000263283156 137062403 /nfs/dbraw/zinc/06/24/03/137062403.db2.gz UOJBZBFJTPDHDP-BSWAZPDLSA-N 2 0 289.423 0.992 10 0 CCAERP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000310919057 137072983 /nfs/dbraw/zinc/07/29/83/137072983.db2.gz GVBIRJKJMAEACL-TZMCWYRMSA-N 2 0 255.406 0.325 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037041676 348183280 /nfs/dbraw/zinc/18/32/80/348183280.db2.gz TXIANFWAXNULHU-LBPRGKRZSA-N 2 0 253.390 0.975 10 0 CCAERP [NH3+][C@@H](Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131698837 350283049 /nfs/dbraw/zinc/28/30/49/350283049.db2.gz SCFOKIVKHHSGDB-IXXDHKBRSA-N 2 0 273.380 0.956 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000105862062 186079437 /nfs/dbraw/zinc/07/94/37/186079437.db2.gz XHWSEZKWEHSLQC-ZDUSSCGKSA-N 2 0 299.459 0.926 10 0 CCAERP COCC[N@H+](C)CCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901692 350941081 /nfs/dbraw/zinc/94/10/81/350941081.db2.gz VGCYYYHZJFKUSU-CQSZACIVSA-N 2 0 298.431 0.444 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000237398525 352262875 /nfs/dbraw/zinc/26/28/75/352262875.db2.gz CHBFCRCDWRBWBG-OCCSQVGLSA-N 2 0 281.400 0.450 10 0 CCAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CN3CCCC3=O)CC[C@@H]21 ZINC000248163792 352432799 /nfs/dbraw/zinc/43/27/99/352432799.db2.gz SPCUJQYHEMZSPM-KFWWJZLASA-N 2 0 295.427 0.386 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCC3CC[NH2+]CC3)C[C@@H]12 ZINC000248591387 352447163 /nfs/dbraw/zinc/44/71/63/352447163.db2.gz HEVMVFGKZRMLHX-MGPQQGTHSA-N 2 0 265.401 0.962 10 0 CCAERP C[NH+](C)CC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000336429172 213289716 /nfs/dbraw/zinc/28/97/16/213289716.db2.gz YANYPWDOFIGQDZ-NWDGAFQWSA-N 2 0 257.353 0.487 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C[C@@H]1CC[NH+](C)C1 ZINC000311127637 354196820 /nfs/dbraw/zinc/19/68/20/354196820.db2.gz IMZQZOLZNUJDFY-KGLIPLIRSA-N 2 0 257.422 0.571 10 0 CCAERP C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333502981 354760111 /nfs/dbraw/zinc/76/01/11/354760111.db2.gz FOJFWKCKNSPXBT-NEPJUHHUSA-N 2 0 254.378 0.522 10 0 CCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333738277 354785657 /nfs/dbraw/zinc/78/56/57/354785657.db2.gz XEMXCVLYQLPSFG-GXTWGEPZSA-N 2 0 266.389 0.524 10 0 CCAERP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333891037 354811889 /nfs/dbraw/zinc/81/18/89/354811889.db2.gz YFJLUDJBWKNIQH-CYBMUJFWSA-N 2 0 266.389 0.690 10 0 CCAERP O=C(CC[C@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335050714 354950382 /nfs/dbraw/zinc/95/03/82/354950382.db2.gz DXASNVDXJUQGIA-GFCCVEGCSA-N 2 0 251.374 0.825 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000335394281 354995046 /nfs/dbraw/zinc/99/50/46/354995046.db2.gz GNEFMFWDZWCGMU-GFCCVEGCSA-N 2 0 252.362 0.132 10 0 CCAERP CN1CC[NH+]([C@@H]2CCC[C@@H]2N2CC[NH2+]CC2)CC1 ZINC000409438005 358112973 /nfs/dbraw/zinc/11/29/73/358112973.db2.gz BRBJHMCMJMZUBK-UONOGXRCSA-N 2 0 252.406 0.060 10 0 CCAERP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333502991 283656510 /nfs/dbraw/zinc/65/65/10/283656510.db2.gz FOJFWKCKNSPXBT-VXGBXAGGSA-N 2 0 254.378 0.522 10 0 CCAERP CCOC(=O)c1cccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616634239 365394263 /nfs/dbraw/zinc/39/42/63/365394263.db2.gz ODKKLSQPXDMMAY-AWEZNQCLSA-N 2 0 277.368 0.768 10 0 CCAERP C[N@@H+]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766008 372212291 /nfs/dbraw/zinc/21/22/91/372212291.db2.gz NNFHHEUMYYWZFD-OBJOEFQTSA-N 2 0 251.374 0.587 10 0 CCAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766009 372213028 /nfs/dbraw/zinc/21/30/28/372213028.db2.gz NNFHHEUMYYWZFD-SCRDCRAPSA-N 2 0 251.374 0.587 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638081162 374640150 /nfs/dbraw/zinc/64/01/50/374640150.db2.gz WCFABEWLBSZDID-ZFWWWQNUSA-N 2 0 283.416 0.746 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638072039 374624684 /nfs/dbraw/zinc/62/46/84/374624684.db2.gz OLDVNCAQPQGXBP-TZMCWYRMSA-N 2 0 271.405 0.457 10 0 CCAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000638976119 375492701 /nfs/dbraw/zinc/49/27/01/375492701.db2.gz UEYHJQOWODLJAA-GFCCVEGCSA-N 2 0 253.390 0.929 10 0 CCAERP COC1(C(=O)N2CCC([NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000261648294 284663390 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COC(=O)CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915583 389089033 /nfs/dbraw/zinc/08/90/33/389089033.db2.gz WUQZROGKZPEXSJ-LLVKDONJSA-N 2 0 258.362 0.184 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000333897362 389448663 /nfs/dbraw/zinc/44/86/63/389448663.db2.gz AZSFOBNXGIVBMB-QJPTWQEYSA-N 2 0 254.378 0.520 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334916528 389508855 /nfs/dbraw/zinc/50/88/55/389508855.db2.gz BCTVGDMRTMKCNL-CYBMUJFWSA-N 2 0 280.416 0.866 10 0 CCAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000178747207 389619442 /nfs/dbraw/zinc/61/94/42/389619442.db2.gz RGUDFTLXOPHCRQ-NEPJUHHUSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@H]([NH2+]CCCN1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000643454249 390448208 /nfs/dbraw/zinc/44/82/08/390448208.db2.gz QDCOOOJAOIMIPX-KBPBESRZSA-N 2 0 255.406 0.686 10 0 CCAERP COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000649328097 390586188 /nfs/dbraw/zinc/58/61/88/390586188.db2.gz XJMMOFMIADJPIW-JSGCOSHPSA-N 2 0 267.373 0.062 10 0 CCAERP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000649301600 390561268 /nfs/dbraw/zinc/56/12/68/390561268.db2.gz GENHNPLRNXDRPL-NFAWXSAZSA-N 2 0 281.400 0.498 10 0 CCAERP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649305899 390565887 /nfs/dbraw/zinc/56/58/87/390565887.db2.gz LGAWLXREPHLEGL-OAHLLOKOSA-N 2 0 291.395 0.471 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649335097 390591519 /nfs/dbraw/zinc/59/15/19/390591519.db2.gz FCAOBZMWKXURKY-WOPDTQHZSA-N 2 0 287.354 0.926 10 0 CCAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649318490 390576306 /nfs/dbraw/zinc/57/63/06/390576306.db2.gz PCRILRMCOVZELK-NWDGAFQWSA-N 2 0 257.378 0.069 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649337545 390593675 /nfs/dbraw/zinc/59/36/75/390593675.db2.gz SQOPZQAZHXVMNK-RDBSUJKOSA-N 2 0 281.400 0.308 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578365162 390880390 /nfs/dbraw/zinc/88/03/90/390880390.db2.gz YIXFSTLARDNONW-NDBYEHHHSA-N 2 0 251.374 0.809 10 0 CCAERP O=C([C@@H]1CCC[NH2+]C1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186489899 304332507 /nfs/dbraw/zinc/33/25/07/304332507.db2.gz NFWCNVOPFWLARY-VXGBXAGGSA-N 2 0 251.374 0.729 10 0 CCAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335377989 287220147 /nfs/dbraw/zinc/22/01/47/287220147.db2.gz MPINNVGLHYGCDA-VXGBXAGGSA-N 2 0 252.362 0.226 10 0 CCAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COCC[NH3+] ZINC000309731497 411745370 /nfs/dbraw/zinc/74/53/70/411745370.db2.gz PHCMFHGRLDDLRO-ZDUSSCGKSA-N 2 0 279.384 0.598 10 0 CCAERP C[C@H]([NH3+])c1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000021519127 171314717 /nfs/dbraw/zinc/31/47/17/171314717.db2.gz XSWSMGWIBGDPBH-JTQLQIEISA-N 2 0 271.386 0.546 10 0 CCAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653347655 412292490 /nfs/dbraw/zinc/29/24/90/412292490.db2.gz JVHNVUCJVONAGR-HBNTYKKESA-N 2 0 293.333 0.794 10 0 CCAERP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037000034 172859573 /nfs/dbraw/zinc/85/95/73/172859573.db2.gz HREDKWBTGSGULF-AAEUAGOBSA-N 2 0 263.341 0.410 10 0 CCAERP CC(C)[NH+]1CCC(N(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038031007 174023634 /nfs/dbraw/zinc/02/36/34/174023634.db2.gz ZDSGOFOUGWYNSZ-UHFFFAOYSA-N 2 0 282.432 0.223 10 0 CCAERP C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000038083215 174092613 /nfs/dbraw/zinc/09/26/13/174092613.db2.gz ZBQNOCWRKVDNBY-VXGBXAGGSA-N 2 0 274.430 0.741 10 0 CCAERP C[C@H](O)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256959 414700648 /nfs/dbraw/zinc/70/06/48/414700648.db2.gz KQUPIWUTWFLUDO-AAEUAGOBSA-N 2 0 254.374 0.600 10 0 CCAERP COC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589749 414730747 /nfs/dbraw/zinc/73/07/47/414730747.db2.gz DCHPPJJBPRIUAR-GHMZBOCLSA-N 2 0 257.378 0.197 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662618414 414733189 /nfs/dbraw/zinc/73/31/89/414733189.db2.gz BICUHOSJGFKIIW-GRYCIOLGSA-N 2 0 253.390 0.831 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000662855144 414845409 /nfs/dbraw/zinc/84/54/09/414845409.db2.gz VUDTYQOWHZAYGM-NSHDSACASA-N 2 0 269.389 0.483 10 0 CCAERP CCOC(=O)[C@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150948 176045245 /nfs/dbraw/zinc/04/52/45/176045245.db2.gz DSNAHRWAILZZCC-GFCCVEGCSA-N 2 0 257.378 0.023 10 0 CCAERP CC[NH2+][C@@](C)(CCN(C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071191024 176067312 /nfs/dbraw/zinc/06/73/12/176067312.db2.gz KXWWIVYHAQOSHQ-OCCSQVGLSA-N 2 0 270.421 0.114 10 0 CCAERP C[N@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[NH+](C)C1 ZINC000071190886 176068375 /nfs/dbraw/zinc/06/83/75/176068375.db2.gz WFNIXIXLXVWZBK-GXTWGEPZSA-N 2 0 271.405 0.842 10 0 CCAERP CCC[C@H]([NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258032 545880505 /nfs/dbraw/zinc/88/05/05/545880505.db2.gz DGHHSOXXMATSMR-VIFPVBQESA-N 2 0 251.334 0.483 10 0 CCAERP CC[C@H](C[NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258742 545882060 /nfs/dbraw/zinc/88/20/60/545882060.db2.gz YNAPFDNYIGFFHU-VIFPVBQESA-N 2 0 251.334 0.341 10 0 CCAERP CN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000054290209 544442338 /nfs/dbraw/zinc/44/23/38/544442338.db2.gz USZPIQIGDIHFMS-LBPRGKRZSA-N 2 0 253.390 0.929 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457969 544514783 /nfs/dbraw/zinc/51/47/83/544514783.db2.gz TVYOMKVAMMRXTI-KGLIPLIRSA-N 2 0 283.416 0.542 10 0 CCAERP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220563805 544816518 /nfs/dbraw/zinc/81/65/18/544816518.db2.gz BXFOUXRBRYUDHU-UONOGXRCSA-N 2 0 253.390 0.393 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000261716951 544937080 /nfs/dbraw/zinc/93/70/80/544937080.db2.gz JRVUFKOSLCRTED-GBJTYRQASA-N 2 0 297.443 0.665 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334228583 545045661 /nfs/dbraw/zinc/04/56/61/545045661.db2.gz GYKMQXDBPCCFPM-JSGCOSHPSA-N 2 0 251.374 0.588 10 0 CCAERP O=C(NC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000333729409 545042370 /nfs/dbraw/zinc/04/23/70/545042370.db2.gz HQDUGFIEVSWYJK-JSGCOSHPSA-N 2 0 280.416 0.912 10 0 CCAERP CC(C)C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+](C)C ZINC000188708235 275586372 /nfs/dbraw/zinc/58/63/72/275586372.db2.gz KEQOOGTXRJZLST-NSHDSACASA-N 2 0 293.415 0.762 10 0 CCAERP CC[NH+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188854897 279160565 /nfs/dbraw/zinc/16/05/65/279160565.db2.gz UDSOZQQFXQIOTR-SNVBAGLBSA-N 2 0 279.388 0.516 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449697 279334312 /nfs/dbraw/zinc/33/43/12/279334312.db2.gz QRZZMLAQNMBMJH-FRRDWIJNSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000334948259 288317375 /nfs/dbraw/zinc/31/73/75/288317375.db2.gz YZOMIQVOWOLMQO-DGCLKSJQSA-N 2 0 254.378 0.379 10 0 CCAERP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263226208 295140737 /nfs/dbraw/zinc/14/07/37/295140737.db2.gz MUNULNXVCMJPIO-UBHSHLNASA-N 2 0 294.395 0.805 10 0 CCAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000333678899 295308364 /nfs/dbraw/zinc/30/83/64/295308364.db2.gz OMELWHAUKXWEGZ-XJFOESAGSA-N 2 0 280.416 0.897 10 0 CCAERP O=C(C1C[NH2+]C1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367810648 295454823 /nfs/dbraw/zinc/45/48/23/295454823.db2.gz RHKMZBZQJKVTBG-CYBMUJFWSA-N 2 0 251.374 0.683 10 0 CCAERP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394380318 545088026 /nfs/dbraw/zinc/08/80/26/545088026.db2.gz NTJJBXHOYHNNIC-ZIAGYGMSSA-N 2 0 280.416 0.025 10 0 CCAERP CCN(CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000580768420 335964157 /nfs/dbraw/zinc/96/41/57/335964157.db2.gz CGBPRTHBFZWPDI-STQMWFEESA-N 2 0 291.461 0.636 10 0 CCAERP CCC[NH2+][C@@H](CN1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000055070536 520008000 /nfs/dbraw/zinc/00/80/00/520008000.db2.gz CPXZPZUFZJFRBR-STQMWFEESA-N 2 0 270.421 0.256 10 0 CCAERP CC(C)C[NH+]1CCN(c2nccnc2C(N)=[NH2+])CC1 ZINC000055079661 519729162 /nfs/dbraw/zinc/72/91/62/519729162.db2.gz NKSSORJZCJGTRV-UHFFFAOYSA-N 2 0 262.361 0.539 10 0 CCAERP CCC[NH+]1CCC(NS(=O)(=O)CCCC[NH3+])CC1 ZINC000049558130 519846675 /nfs/dbraw/zinc/84/66/75/519846675.db2.gz KYVPCYPAQYKAMF-UHFFFAOYSA-N 2 0 277.434 0.519 10 0 CCAERP C[NH+](C)C[C@@H]1CCCN1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062532578 521838538 /nfs/dbraw/zinc/83/85/38/521838538.db2.gz BCNSYCUYZKPVQM-STQMWFEESA-N 2 0 268.405 0.008 10 0 CCAERP CN(CCC[NH3+])C(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052758042 522740408 /nfs/dbraw/zinc/74/04/08/522740408.db2.gz ZPERFOJVRSLKGY-LBPRGKRZSA-N 2 0 257.378 0.031 10 0 CCAERP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[NH2+]CC2)[C@@H]1C ZINC000050564942 524217245 /nfs/dbraw/zinc/21/72/45/524217245.db2.gz KTOFJMZILQRVED-CHWSQXEVSA-N 2 0 253.390 0.929 10 0 CCAERP C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051120151 524316706 /nfs/dbraw/zinc/31/67/06/524316706.db2.gz ZDQSQRZWZXFIGF-SNVBAGLBSA-N 2 0 263.345 0.581 10 0 CCAERP C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055130378 524335054 /nfs/dbraw/zinc/33/50/54/524335054.db2.gz ARKZBTSNEZUQOS-RVMXOQNASA-N 2 0 253.390 0.818 10 0 CCAERP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049646511 524476285 /nfs/dbraw/zinc/47/62/85/524476285.db2.gz WWZRCTJVPSKECA-NWDGAFQWSA-N 2 0 277.434 0.246 10 0 CCAERP C[C@@H]1C[C@H](C(=O)NC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055126697 525360514 /nfs/dbraw/zinc/36/05/14/525360514.db2.gz MVOGNSCHTNOFNL-WZRBSPASSA-N 2 0 253.390 0.960 10 0 CCAERP C[NH+]1C[C@@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]2C1 ZINC000675061047 545320969 /nfs/dbraw/zinc/32/09/69/545320969.db2.gz WYIISMMUPZQSAT-VXGBXAGGSA-N 2 0 259.357 0.120 10 0 CCAERP CC[NH+]1CCN(CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261919675 535651662 /nfs/dbraw/zinc/65/16/62/535651662.db2.gz UVOPGDWFDDJVPT-ZDUSSCGKSA-N 2 0 282.432 0.210 10 0 CCAERP CC[C@@H]1CN(C(=O)CCCCC[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000155678099 615557666 /nfs/dbraw/zinc/55/76/66/615557666.db2.gz UETMPBQLPZRBSF-ZIAGYGMSSA-N 2 0 285.432 0.809 10 0 CCAERP C[N@H+](CC1CC[NH+](C)CC1)CN1CCOC1=S ZINC000103462054 616169087 /nfs/dbraw/zinc/16/90/87/616169087.db2.gz GDANPSJXDOPRFN-UHFFFAOYSA-N 2 0 257.403 0.835 10 0 CCAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311240973 623683199 /nfs/dbraw/zinc/68/31/99/623683199.db2.gz ZEKHDMSVEJEQGJ-MGPQQGTHSA-N 2 0 256.390 0.848 10 0 CCAERP CCCCOC[C@@H](O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312959845 625696258 /nfs/dbraw/zinc/69/62/58/625696258.db2.gz MWHYNWQDXPKILI-GJZGRUSLSA-N 2 0 285.432 0.144 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]12 ZINC000307953677 624823324 /nfs/dbraw/zinc/82/33/24/624823324.db2.gz YBZFXXSRNYAAME-DOLQZWNJSA-N 2 0 252.280 0.969 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000252571733 638401388 /nfs/dbraw/zinc/40/13/88/638401388.db2.gz BTAFGYIULPTMRS-OLZOCXBDSA-N 2 0 289.445 0.484 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000092634016 649725506 /nfs/dbraw/zinc/72/55/06/649725506.db2.gz BTAFGYIULPTMRS-CHWSQXEVSA-N 2 0 289.445 0.484 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251582292 649812542 /nfs/dbraw/zinc/81/25/42/649812542.db2.gz CKSYNRSNVGOOPF-UTUOFQBUSA-N 2 0 255.362 0.045 10 0 CCAERP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000262432675 137043420 /nfs/dbraw/zinc/04/34/20/137043420.db2.gz BVDKFQZYYPJBJV-SMDDNHRTSA-N 2 0 295.333 0.746 10 0 CCAERP C[NH2+]C[C@@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000263301449 137063285 /nfs/dbraw/zinc/06/32/85/137063285.db2.gz ZHOYHETZQGDYEQ-CHWSQXEVSA-N 2 0 283.416 0.554 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)C[NH2+]CC3CC3)CC2)CCO1 ZINC000263302279 137063525 /nfs/dbraw/zinc/06/35/25/137063525.db2.gz ZRUOEBVVAQGRPO-CYBMUJFWSA-N 2 0 295.427 0.698 10 0 CCAERP C[C@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)[C@@H]1CCC[NH2+]C1 ZINC000263217856 137060625 /nfs/dbraw/zinc/06/06/25/137060625.db2.gz LFHMNXWMWUSUAQ-UPJWGTAASA-N 2 0 293.415 0.824 10 0 CCAERP CC(C)[NH2+]CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000002010627 347963719 /nfs/dbraw/zinc/96/37/19/347963719.db2.gz HLWSVWOWXFBYNX-CQSZACIVSA-N 2 0 261.369 0.815 10 0 CCAERP C[NH2+][C@H](C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000054075538 348540921 /nfs/dbraw/zinc/54/09/21/348540921.db2.gz PHUDRDSPCUYTPF-CYBMUJFWSA-N 3 0 272.437 0.326 10 0 CCAERP C[NH+](C)CC1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129667453 350219476 /nfs/dbraw/zinc/21/94/76/350219476.db2.gz DQZPXUHFYNDZJG-UHFFFAOYSA-N 2 0 296.459 0.470 10 0 CCAERP [NH3+]C1CCN([C@@H]2CCN(C(=O)C(F)(F)F)C2)CC1 ZINC000131895682 350291111 /nfs/dbraw/zinc/29/11/11/350291111.db2.gz OHRDPTXMLMOHHA-SECBINFHSA-N 2 0 265.279 0.573 10 0 CCAERP C[NH+]1CCN(CCCNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136209623 350418936 /nfs/dbraw/zinc/41/89/36/350418936.db2.gz XHNILSXKWNWITN-OAHLLOKOSA-N 2 0 282.432 0.272 10 0 CCAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136205997 350419056 /nfs/dbraw/zinc/41/90/56/350419056.db2.gz VAEQQYPOUHDNFB-GXTWGEPZSA-N 2 0 253.390 0.977 10 0 CCAERP [NH3+]CCCCCC(=O)NCCNC(=O)CCCCC[NH3+] ZINC000145131228 350465082 /nfs/dbraw/zinc/46/50/82/350465082.db2.gz FIKBXTDOFXQENG-UHFFFAOYSA-N 2 0 286.420 0.257 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000157820252 350649807 /nfs/dbraw/zinc/64/98/07/350649807.db2.gz VZPWOWWVKDABGC-FRRDWIJNSA-N 2 0 253.390 0.975 10 0 CCAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162111850 350736393 /nfs/dbraw/zinc/73/63/93/350736393.db2.gz YWDFJOABUQSMET-STQMWFEESA-N 2 0 253.390 0.833 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000226825417 352035141 /nfs/dbraw/zinc/03/51/41/352035141.db2.gz ZQZLCVGVOHZJLX-JHJVBQTASA-N 2 0 271.405 0.456 10 0 CCAERP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000237297482 352258795 /nfs/dbraw/zinc/25/87/95/352258795.db2.gz KRKRRKUIZRMMSU-UONOGXRCSA-N 2 0 283.416 0.413 10 0 CCAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2COCCN2)C1 ZINC000237546049 352270840 /nfs/dbraw/zinc/27/08/40/352270840.db2.gz KJBDUVVUYHNZOE-MCIONIFRSA-N 2 0 297.443 0.848 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000237954251 352290994 /nfs/dbraw/zinc/29/09/94/352290994.db2.gz REZWGJHNWSNZMO-SOUVJXGZSA-N 2 0 295.427 0.685 10 0 CCAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246562842 352373514 /nfs/dbraw/zinc/37/35/14/352373514.db2.gz ZMPWOGFEQNMRAA-KGLIPLIRSA-N 2 0 298.431 0.348 10 0 CCAERP C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCC(C)CC1 ZINC000333833548 354802633 /nfs/dbraw/zinc/80/26/33/354802633.db2.gz TYAMIIBXJSJDAZ-IHRRRGAJSA-N 2 0 298.431 0.081 10 0 CCAERP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000631840696 370705694 /nfs/dbraw/zinc/70/56/94/370705694.db2.gz UPODXOMZQFLQTO-AGIUHOORSA-N 2 0 289.445 0.185 10 0 CCAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOC3CCOCC3)C[C@H]12 ZINC000629519757 369689316 /nfs/dbraw/zinc/68/93/16/369689316.db2.gz QXNMMACWLAJNHU-FPMFFAJLSA-N 2 0 254.374 0.851 10 0 CCAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000333431709 205316728 /nfs/dbraw/zinc/31/67/28/205316728.db2.gz URPNYXRWOILAPP-BFHYXJOUSA-N 2 0 282.432 0.953 10 0 CCAERP [NH3+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC000637856337 374414405 /nfs/dbraw/zinc/41/44/05/374414405.db2.gz ZQLNWIBOYWCTDA-GFCCVEGCSA-N 2 0 251.374 0.716 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638081316 374638898 /nfs/dbraw/zinc/63/88/98/374638898.db2.gz XQJRBOWDTUZDIF-SCRDCRAPSA-N 2 0 269.389 0.354 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079520627 284600752 /nfs/dbraw/zinc/60/07/52/284600752.db2.gz QRXHMDLPNSCIAM-CQSZACIVSA-N 2 0 253.390 0.977 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000040633534 388854552 /nfs/dbraw/zinc/85/45/52/388854552.db2.gz XPTMTHTVMMGZAB-CHWSQXEVSA-N 2 0 267.373 0.106 10 0 CCAERP CCOC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915526 389088502 /nfs/dbraw/zinc/08/85/02/389088502.db2.gz FQXJUYSAJZCLRH-ZDUSSCGKSA-N 2 0 286.416 0.964 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000310909003 389100151 /nfs/dbraw/zinc/10/01/51/389100151.db2.gz DQJPBHDBANPTAY-OLZOCXBDSA-N 2 0 253.390 0.912 10 0 CCAERP COCC[N@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000313114004 389111071 /nfs/dbraw/zinc/11/10/71/389111071.db2.gz OOJXXSJUTAOCEP-CABCVRRESA-N 2 0 285.432 0.096 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000227794868 389151570 /nfs/dbraw/zinc/15/15/70/389151570.db2.gz WLGFTSIKFKFHSX-YNEHKIRRSA-N 2 0 251.374 0.811 10 0 CCAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)C[C@@H]12 ZINC000248567504 389246558 /nfs/dbraw/zinc/24/65/58/389246558.db2.gz BZCPPRTYEHUJQY-KIJLLGNVSA-N 2 0 251.374 0.700 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248961373 389251002 /nfs/dbraw/zinc/25/10/02/389251002.db2.gz HVQJOFQRNMJRGH-MNOVXSKESA-N 2 0 289.383 0.364 10 0 CCAERP CS[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@@H]1[NH+](C)C ZINC000262594119 389290036 /nfs/dbraw/zinc/29/00/36/389290036.db2.gz WAPGYGGWTHQFPI-DCAQKATOSA-N 2 0 259.419 0.474 10 0 CCAERP Cc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000263347155 389299277 /nfs/dbraw/zinc/29/92/77/389299277.db2.gz ZIXPIIQGYIJHSJ-CQSZACIVSA-N 2 0 261.369 0.933 10 0 CCAERP CN(C(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000333741538 389442520 /nfs/dbraw/zinc/44/25/20/389442520.db2.gz XQRONHOYRGXOKN-OLZOCXBDSA-N 2 0 268.405 0.912 10 0 CCAERP O[C@@]1(CN[C@@H]2CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000422980755 389516450 /nfs/dbraw/zinc/51/64/50/389516450.db2.gz QXLUGGHCXWXGBX-HZPDHXFCSA-N 2 0 275.396 0.575 10 0 CCAERP CC[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@@H+]1CCOC ZINC000178776775 389622197 /nfs/dbraw/zinc/62/21/97/389622197.db2.gz QYMNOGLNKWMNPG-LBPRGKRZSA-N 2 0 271.405 0.683 10 0 CCAERP COC[C@@]1(C(=O)N2CC[NH+]3CCC2CC3)CCC[NH2+]1 ZINC000643779285 390543728 /nfs/dbraw/zinc/54/37/28/390543728.db2.gz XYWDZFWLJJPGJA-CQSZACIVSA-N 2 0 267.373 0.062 10 0 CCAERP COC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000643781223 390546530 /nfs/dbraw/zinc/54/65/30/390546530.db2.gz MZPBXFIXMXTLRF-VNHYZAJKSA-N 2 0 281.400 0.450 10 0 CCAERP COC[C@]1(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCC[NH2+]1 ZINC000649298868 390558981 /nfs/dbraw/zinc/55/89/81/390558981.db2.gz DGLKIIZQBVAUGJ-HIFRSBDPSA-N 2 0 285.432 0.848 10 0 CCAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304856 390563526 /nfs/dbraw/zinc/56/35/26/390563526.db2.gz KEKWCPMEPNOAKY-STQMWFEESA-N 2 0 269.389 0.069 10 0 CCAERP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000649311325 390568921 /nfs/dbraw/zinc/56/89/21/390568921.db2.gz IAPALSALRDJELC-NWDGAFQWSA-N 2 0 287.354 0.928 10 0 CCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333798053 296583139 /nfs/dbraw/zinc/58/31/39/296583139.db2.gz HINNZLQLLYJUDH-CHWSQXEVSA-N 2 0 280.416 0.770 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251533848 297094415 /nfs/dbraw/zinc/09/44/15/297094415.db2.gz ALOZUOLBHBCHHU-FDYHWXHSSA-N 2 0 251.374 0.809 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334376997 304432867 /nfs/dbraw/zinc/43/28/67/304432867.db2.gz FSGFDTUVEQKQHP-KBPBESRZSA-N 2 0 265.401 0.977 10 0 CCAERP C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000310775359 411747962 /nfs/dbraw/zinc/74/79/62/411747962.db2.gz ALNFWCZRYUHPKB-QWHCGFSZSA-N 2 0 253.390 0.977 10 0 CCAERP CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000616570136 411840723 /nfs/dbraw/zinc/84/07/23/411840723.db2.gz MAPPONXIJLKBCH-DGCLKSJQSA-N 2 0 253.390 0.914 10 0 CCAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000022213626 171374349 /nfs/dbraw/zinc/37/43/49/171374349.db2.gz TWFNNQUMYXJNKG-CQSZACIVSA-N 2 0 259.353 0.969 10 0 CCAERP [NH3+]Cc1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000022213629 171375131 /nfs/dbraw/zinc/37/51/31/171375131.db2.gz TWFNNQUMYXJNKG-AWEZNQCLSA-N 2 0 259.353 0.969 10 0 CCAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653112678 412224764 /nfs/dbraw/zinc/22/47/64/412224764.db2.gz GSIQBYBIWIYHOK-FBIMIBRVSA-N 2 0 291.317 0.737 10 0 CCAERP CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000653130520 412235114 /nfs/dbraw/zinc/23/51/14/412235114.db2.gz QFRQHXTYECBXEO-GHMZBOCLSA-N 2 0 293.333 0.937 10 0 CCAERP C[C@@H]([NH2+]CCN1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210157 173031858 /nfs/dbraw/zinc/03/18/58/173031858.db2.gz GJJFPUJLVVWQEG-ZIAGYGMSSA-N 2 0 255.406 0.639 10 0 CCAERP O[C@]1(C[NH2+]CCN2CCCc3ccccc32)CC[NH2+]C1 ZINC000077338198 177254097 /nfs/dbraw/zinc/25/40/97/177254097.db2.gz RYYZQEQDQMRQDJ-MRXNPFEDSA-N 2 0 275.396 0.753 10 0 CCAERP c1cc(NCC[C@@H]2CSCC[NH2+]2)n(C2C[NH2+]C2)n1 ZINC000725257987 545880456 /nfs/dbraw/zinc/88/04/56/545880456.db2.gz BVZDFBPQTZKHRQ-SNVBAGLBSA-N 2 0 267.402 0.534 10 0 CCAERP CC[NH2+]C(C)(C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258175 545879612 /nfs/dbraw/zinc/87/96/12/545879612.db2.gz JLEMDZHMQKECRR-UHFFFAOYSA-N 2 0 251.334 0.354 10 0 CCAERP CCCC[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258041 545879995 /nfs/dbraw/zinc/87/99/95/545879995.db2.gz DJZGVGAZSCJHSP-SNVBAGLBSA-N 2 0 251.334 0.483 10 0 CCAERP O=C(C[NH2+]Cc1ccccc1)Nc1ccnn1C1C[NH2+]C1 ZINC000725258577 545881871 /nfs/dbraw/zinc/88/18/71/545881871.db2.gz UASWPLSEDYWYII-UHFFFAOYSA-N 2 0 285.351 0.756 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000089460659 544514229 /nfs/dbraw/zinc/51/42/29/544514229.db2.gz FOAKHTCPBLIAJB-STQMWFEESA-N 2 0 253.390 0.964 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)COC1(C)C[NH2+]C1 ZINC000098061672 544554682 /nfs/dbraw/zinc/55/46/82/544554682.db2.gz LWENFALHLMCVSO-GFCCVEGCSA-N 2 0 271.405 0.457 10 0 CCAERP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161020278 544704408 /nfs/dbraw/zinc/70/44/08/544704408.db2.gz LJIDHPYUZIYNRB-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333493206 545039649 /nfs/dbraw/zinc/03/96/49/545039649.db2.gz DMZHDLWUIDHBMZ-YYHQMBLXSA-N 2 0 266.389 0.506 10 0 CCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000333136406 277393462 /nfs/dbraw/zinc/39/34/62/277393462.db2.gz CLLPLFXWGYMSCL-CHWSQXEVSA-N 2 0 268.405 0.768 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699982 288130891 /nfs/dbraw/zinc/13/08/91/288130891.db2.gz FKOQLQPBKQNJTR-HBJVGIJOSA-N 2 0 265.401 0.960 10 0 CCAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175979467 280322724 /nfs/dbraw/zinc/32/27/24/280322724.db2.gz SGGIQISNAMMYAP-GJZGRUSLSA-N 2 0 297.443 0.942 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333919014 288317948 /nfs/dbraw/zinc/31/79/48/288317948.db2.gz ORGOIPUJECLTHJ-FDYHWXHSSA-N 2 0 266.389 0.378 10 0 CCAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000344120340 289888902 /nfs/dbraw/zinc/88/89/02/289888902.db2.gz ZLEMBLPWFCSYTI-XQQFMLRXSA-N 2 0 268.401 0.846 10 0 CCAERP [NH3+]CC1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333658154 295224518 /nfs/dbraw/zinc/22/45/18/295224518.db2.gz LBOZZDVKMPTEQM-GFCCVEGCSA-N 2 0 254.378 0.509 10 0 CCAERP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[NH+](C)C ZINC000262363600 298765649 /nfs/dbraw/zinc/76/56/49/298765649.db2.gz KTEVQYRGJZNHCK-MBNYWOFBSA-N 2 0 253.390 0.833 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333788426 300321209 /nfs/dbraw/zinc/32/12/09/300321209.db2.gz MCWAFAKUAHQLGP-ZDUSSCGKSA-N 2 0 297.447 0.016 10 0 CCAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334171220 303489507 /nfs/dbraw/zinc/48/95/07/303489507.db2.gz BFIXEQSVWFBWMZ-RYUDHWBXSA-N 2 0 251.374 0.716 10 0 CCAERP C[NH+]1CCN([C@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959976 330384057 /nfs/dbraw/zinc/38/40/57/330384057.db2.gz NCMJAQJSNOPTFI-CHWSQXEVSA-N 2 0 283.416 0.554 10 0 CCAERP CCOC(=O)C[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061645453 520869182 /nfs/dbraw/zinc/86/91/82/520869182.db2.gz CXZWDBNSTDBDPL-ZDUSSCGKSA-N 2 0 271.405 0.507 10 0 CCAERP CC(C)(C)[NH+]1CCN(C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052571652 518711617 /nfs/dbraw/zinc/71/16/17/518711617.db2.gz CLBOVGJAZSRQGN-QWHCGFSZSA-N 2 0 255.406 0.909 10 0 CCAERP CC[NH2+]Cc1cn(CCOC2CC[NH+](C)CC2)nn1 ZINC000052596721 520012552 /nfs/dbraw/zinc/01/25/52/520012552.db2.gz WLUAAWNQXICJMZ-UHFFFAOYSA-N 2 0 267.377 0.498 10 0 CCAERP CC[C@@H]([NH2+]C)[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061643854 522806870 /nfs/dbraw/zinc/80/68/70/522806870.db2.gz VYSDONYXKMJSNO-ZIAGYGMSSA-N 2 0 256.438 0.552 10 0 CCAERP CO[C@@H]1C[NH2+][C@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049220427 523742518 /nfs/dbraw/zinc/74/25/18/523742518.db2.gz AHHNIUSFRAYLCQ-SRVKXCTJSA-N 2 0 257.378 0.066 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051114252 523841180 /nfs/dbraw/zinc/84/11/80/523841180.db2.gz VSDJILRYDZJSJX-SNVBAGLBSA-N 2 0 263.345 0.439 10 0 CCAERP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631552 524477029 /nfs/dbraw/zinc/47/70/29/524477029.db2.gz UEVTVUUEKRNSQH-RYUDHWBXSA-N 2 0 277.434 0.388 10 0 CCAERP C[C@@H](C[NH+]1CCN(CC[NH+](C)C)CC1)C(N)=S ZINC000061644358 524619735 /nfs/dbraw/zinc/61/97/35/524619735.db2.gz UUPSFPPRZHJPFG-NSHDSACASA-N 2 0 258.435 0.088 10 0 CCAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000055130400 525663119 /nfs/dbraw/zinc/66/31/19/525663119.db2.gz YTCVYONIGOGCRH-CYDGBPFRSA-N 2 0 253.390 0.818 10 0 CCAERP O=C(CCC1CC[NH2+]CC1)N[C@H]1C[NH+]2CCC1CC2 ZINC000050940079 526412037 /nfs/dbraw/zinc/41/20/37/526412037.db2.gz IHOGRJYKWQJRNQ-AWEZNQCLSA-N 2 0 265.401 0.977 10 0 CCAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311850548 536358022 /nfs/dbraw/zinc/35/80/22/536358022.db2.gz OOBYGLOJVPDVNF-JSGCOSHPSA-N 2 0 269.389 0.173 10 0 CCAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434145 625291102 /nfs/dbraw/zinc/29/11/02/625291102.db2.gz WLIHDBWUBSTVDV-XQQFMLRXSA-N 2 0 269.389 0.090 10 0 CCAERP O[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000310559528 623348476 /nfs/dbraw/zinc/34/84/76/623348476.db2.gz RFTUQQDYDGPQDI-UONOGXRCSA-N 2 0 253.390 0.223 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333627554 625720253 /nfs/dbraw/zinc/72/02/53/625720253.db2.gz GBTATGROTNDKFH-QCNOEVLYSA-N 2 0 252.362 0.130 10 0 CCAERP CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000152087842 290663540 /nfs/dbraw/zinc/66/35/40/290663540.db2.gz ULZDXQRPVDZQSH-HIFRSBDPSA-N 2 0 299.459 0.878 10 0 CCAERP C[C@@H](C[NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000262479124 137044401 /nfs/dbraw/zinc/04/44/01/137044401.db2.gz ZESZZAJEUFAQGZ-NWDGAFQWSA-N 2 0 269.389 0.293 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000261913662 137025805 /nfs/dbraw/zinc/02/58/05/137025805.db2.gz XUJOMXJQEOIBOK-RAIGVLPGSA-N 2 0 251.374 0.714 10 0 CCAERP C[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000262332911 137038680 /nfs/dbraw/zinc/03/86/80/137038680.db2.gz GXLHOTBOAXFVTJ-HONMWMINSA-N 2 0 279.359 0.982 10 0 CCAERP O[C@@H](C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000310957906 137073758 /nfs/dbraw/zinc/07/37/58/137073758.db2.gz AONKJRJZXSKQKJ-KBPBESRZSA-N 2 0 256.390 0.849 10 0 CCAERP COCC[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000061380676 348652648 /nfs/dbraw/zinc/65/26/48/348652648.db2.gz BQWYDOWLGWDMEN-LBPRGKRZSA-N 2 0 257.378 0.071 10 0 CCAERP O=C(NCCCN1CCOCC1)N1CCN(C2CC2)CC1 ZINC000105070254 186039678 /nfs/dbraw/zinc/03/96/78/186039678.db2.gz UGEHQUQNXOORSL-UHFFFAOYSA-N 2 0 296.415 0.198 10 0 CCAERP CCC[NH+]1CCC(NC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129693907 350220562 /nfs/dbraw/zinc/22/05/62/350220562.db2.gz LMZFPYIIMWRVGP-UHFFFAOYSA-N 2 0 296.459 0.661 10 0 CCAERP CC[C@@H]1CN(C(=O)C[NH+](CC)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000153081813 350552435 /nfs/dbraw/zinc/55/24/35/350552435.db2.gz PAGIHLHUWHFRPW-ZIAGYGMSSA-N 2 0 297.443 0.774 10 0 CCAERP Cc1nccn1C[C@@H]1CCCN1C(=O)C[NH2+]C1CC1 ZINC000154674629 350595544 /nfs/dbraw/zinc/59/55/44/350595544.db2.gz BBLZOLOMCJQZMU-ZDUSSCGKSA-N 2 0 262.357 0.935 10 0 CCAERP COCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171906786 350942137 /nfs/dbraw/zinc/94/21/37/350942137.db2.gz ICJGBDQFUFNZQJ-CYBMUJFWSA-N 2 0 284.404 0.054 10 0 CCAERP C[C@H](C(=O)NC[C@H]1CN(C)CCO1)[NH+]1CCCCCC1 ZINC000175795064 351143469 /nfs/dbraw/zinc/14/34/69/351143469.db2.gz CLPPWQVVWBWLLA-KGLIPLIRSA-N 2 0 283.416 0.698 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000227150660 352039459 /nfs/dbraw/zinc/03/94/59/352039459.db2.gz FXERJLOOGPYNOA-RBSFLKMASA-N 2 0 291.395 0.782 10 0 CCAERP COC[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247475563 352415947 /nfs/dbraw/zinc/41/59/47/352415947.db2.gz JQQRIQHJOARJGF-CVEARBPZSA-N 2 0 299.459 0.748 10 0 CCAERP COCCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247211321 352404123 /nfs/dbraw/zinc/40/41/23/352404123.db2.gz VFKQOPSHYFXAOT-AWEZNQCLSA-N 2 0 298.431 0.444 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C[C@H]1CC[NH+](C)C1 ZINC000311127639 354196954 /nfs/dbraw/zinc/19/69/54/354196954.db2.gz IMZQZOLZNUJDFY-UONOGXRCSA-N 2 0 257.422 0.571 10 0 CCAERP C[NH+](C)CC(=O)N1CCO[C@H](C[N@H+](C)CC2CC2)C1 ZINC000328654385 354246404 /nfs/dbraw/zinc/24/64/04/354246404.db2.gz XIWMMPYFDBJDSF-CYBMUJFWSA-N 2 0 269.389 0.117 10 0 CCAERP C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C[NH+]1CCCCC1 ZINC000333591493 354762416 /nfs/dbraw/zinc/76/24/16/354762416.db2.gz BBINRVCPZDNDGT-RDBSUJKOSA-N 2 0 298.431 0.083 10 0 CCAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824578 354800518 /nfs/dbraw/zinc/80/05/18/354800518.db2.gz RPTYFSZDWUPMKN-XUXIUFHCSA-N 2 0 298.431 0.081 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)[C@H]2C1 ZINC000333817393 283067742 /nfs/dbraw/zinc/06/77/42/283067742.db2.gz KIFBYMJMGVFQRF-AGIUHOORSA-N 2 0 266.389 0.459 10 0 CCAERP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000178784134 283398566 /nfs/dbraw/zinc/39/85/66/283398566.db2.gz CGRGQTMHSPBCSY-OAHLLOKOSA-N 2 0 285.391 0.789 10 0 CCAERP NC(=O)c1c[nH+]ccc1NCC1CC[NH+](CCO)CC1 ZINC000302208575 201398540 /nfs/dbraw/zinc/39/85/40/201398540.db2.gz FPLMGQGATSBBCC-UHFFFAOYSA-N 2 0 278.356 0.297 10 0 CCAERP C[C@H]1C[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000631844606 370710115 /nfs/dbraw/zinc/71/01/15/370710115.db2.gz KAFSXNRSUCYCQR-NWDGAFQWSA-N 2 0 287.363 0.809 10 0 CCAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](CC[NH3+])CC1 ZINC000616666542 365418643 /nfs/dbraw/zinc/41/86/43/365418643.db2.gz XSWAPRSTJQVBAD-LBPRGKRZSA-N 2 0 287.404 0.951 10 0 CCAERP CCOC(=O)c1ccccc1[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000616635951 365394742 /nfs/dbraw/zinc/39/47/42/365394742.db2.gz OAAYENPSPQUOEG-AWEZNQCLSA-N 2 0 277.368 0.768 10 0 CCAERP C[NH+]1CCC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634762852 372210467 /nfs/dbraw/zinc/21/04/67/372210467.db2.gz IIRDCASUQZCLPC-FZMZJTMJSA-N 2 0 251.374 0.587 10 0 CCAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766860 372213699 /nfs/dbraw/zinc/21/36/99/372213699.db2.gz YNAHUXVDGQXBEE-HUBLWGQQSA-N 2 0 263.385 0.729 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333366378 205258111 /nfs/dbraw/zinc/25/81/11/205258111.db2.gz LVCYTKOLOGNHCW-MDZLAQPJSA-N 2 0 266.389 0.378 10 0 CCAERP C[N@H+](CCNC(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000333405021 205292421 /nfs/dbraw/zinc/29/24/21/205292421.db2.gz QMFJNRONZPJUOS-NSHDSACASA-N 2 0 254.378 0.522 10 0 CCAERP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333448659 205328608 /nfs/dbraw/zinc/32/86/08/205328608.db2.gz XEPZLRFOMHCFCD-OLZOCXBDSA-N 2 0 284.404 0.148 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638071353 374622552 /nfs/dbraw/zinc/62/25/52/374622552.db2.gz IDKOBZOCFVMYDL-LBPRGKRZSA-N 2 0 279.388 0.641 10 0 CCAERP CC1(C)CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[C@H]1[NH3+] ZINC000334262123 206274509 /nfs/dbraw/zinc/27/45/09/206274509.db2.gz YYSLPDUAHZIWCP-WDEREUQCSA-N 2 0 271.430 0.667 10 0 CCAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262299295 190052185 /nfs/dbraw/zinc/05/21/85/190052185.db2.gz ADIFQMBHPBBBGI-CABCVRRESA-N 2 0 291.395 0.477 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000246401730 285018458 /nfs/dbraw/zinc/01/84/58/285018458.db2.gz UBQKFNTYNHJVAD-MBNYWOFBSA-N 2 0 280.416 0.957 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335593893 285191120 /nfs/dbraw/zinc/19/11/20/285191120.db2.gz OKMCTRVDBSRPLJ-AAEUAGOBSA-N 2 0 253.390 0.975 10 0 CCAERP O=C(C[C@H]1CSCC[NH2+]1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186517633 388838447 /nfs/dbraw/zinc/83/84/47/388838447.db2.gz RQFJIFMMEUVQKJ-RYUDHWBXSA-N 2 0 283.441 0.825 10 0 CCAERP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188981257 388946654 /nfs/dbraw/zinc/94/66/54/388946654.db2.gz BQECVBBUAPDTPJ-RWMBFGLXSA-N 2 0 287.379 0.040 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100245750 389071107 /nfs/dbraw/zinc/07/11/07/389071107.db2.gz YCWLULSIZCNEPM-MBNYWOFBSA-N 2 0 253.390 0.947 10 0 CCAERP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000245617386 389214176 /nfs/dbraw/zinc/21/41/76/389214176.db2.gz MXJWJZLZIDAFTF-LSDHHAIUSA-N 2 0 285.432 0.094 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334921718 389508628 /nfs/dbraw/zinc/50/86/28/389508628.db2.gz OMFKNNOVJMKYEC-WDEREUQCSA-N 2 0 252.362 0.226 10 0 CCAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335377986 389551770 /nfs/dbraw/zinc/55/17/70/389551770.db2.gz MPINNVGLHYGCDA-NEPJUHHUSA-N 2 0 252.362 0.226 10 0 CCAERP CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1C[NH2+]C1 ZINC000334580437 389497712 /nfs/dbraw/zinc/49/77/12/389497712.db2.gz XWKMWTRBXCCSHV-YOGCLGLASA-N 2 0 266.389 0.615 10 0 CCAERP CC[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000178775046 389622161 /nfs/dbraw/zinc/62/21/61/389622161.db2.gz IFCAZEIARMIWAO-NEPJUHHUSA-N 2 0 271.405 0.417 10 0 CCAERP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000179245301 389648373 /nfs/dbraw/zinc/64/83/73/389648373.db2.gz MXJWJZLZIDAFTF-CABCVRRESA-N 2 0 285.432 0.094 10 0 CCAERP Cc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)c2ccccc2[nH+]1 ZINC000420244502 389972247 /nfs/dbraw/zinc/97/22/47/389972247.db2.gz DMYYELXLBQZFJN-ABAIWWIYSA-N 2 0 257.337 0.957 10 0 CCAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649285932 390550829 /nfs/dbraw/zinc/55/08/29/390550829.db2.gz AZYWBGZHAGZIKL-STQMWFEESA-N 2 0 269.389 0.165 10 0 CCAERP O=C([C@H]1C[NH2+]CCOC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000649302088 390561915 /nfs/dbraw/zinc/56/19/15/390561915.db2.gz UHGLTSXCSADEJQ-UONOGXRCSA-N 2 0 281.400 0.309 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304853 390563605 /nfs/dbraw/zinc/56/36/05/390563605.db2.gz KEKWCPMEPNOAKY-CHWSQXEVSA-N 2 0 269.389 0.069 10 0 CCAERP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649308101 390568098 /nfs/dbraw/zinc/56/80/98/390568098.db2.gz KGBMVIRNEYZNCP-BXUZGUMPSA-N 2 0 267.373 0.108 10 0 CCAERP CCC[N@H+](CC)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649343935 390597908 /nfs/dbraw/zinc/59/79/08/390597908.db2.gz HMHBKKQCTIERIE-CQSZACIVSA-N 2 0 271.405 0.603 10 0 CCAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649375171 390610664 /nfs/dbraw/zinc/61/06/64/390610664.db2.gz YWRBQMHGKSYNJY-GFCCVEGCSA-N 2 0 257.378 0.023 10 0 CCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000572401113 390781383 /nfs/dbraw/zinc/78/13/83/390781383.db2.gz TWKYXMIIAPCSGU-RWMBFGLXSA-N 2 0 251.374 0.539 10 0 CCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258328306 397440490 /nfs/dbraw/zinc/44/04/90/397440490.db2.gz DNCCWCYHWFRURD-NEPJUHHUSA-N 2 0 254.378 0.522 10 0 CCAERP C[NH2+]CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000370718065 144313614 /nfs/dbraw/zinc/31/36/14/144313614.db2.gz ZSHNHBJHGVJKFE-NHAGDIPZSA-N 2 0 259.353 0.452 10 0 CCAERP C[NH+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616571178 411840163 /nfs/dbraw/zinc/84/01/63/411840163.db2.gz PPZQHIHMOUCYDJ-KBPBESRZSA-N 2 0 279.359 0.949 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653150266 412244039 /nfs/dbraw/zinc/24/40/39/412244039.db2.gz WWGUVXJMTVDXQA-IVZWLZJFSA-N 2 0 279.306 0.547 10 0 CCAERP C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000035632940 172316389 /nfs/dbraw/zinc/31/63/89/172316389.db2.gz LWJFTNGYILCBRA-LLVKDONJSA-N 2 0 285.413 0.807 10 0 CCAERP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040458539 174268736 /nfs/dbraw/zinc/26/87/36/174268736.db2.gz ZRSPILGIMVGGIJ-ZDUSSCGKSA-N 2 0 265.357 0.330 10 0 CCAERP COC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000662873578 414857617 /nfs/dbraw/zinc/85/76/17/414857617.db2.gz ZWMQAAOUNYQOEY-FLTXBFBQSA-N 2 0 281.400 0.496 10 0 CCAERP COCC[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H](C)C1CC1 ZINC000044415381 175172735 /nfs/dbraw/zinc/17/27/35/175172735.db2.gz ZIQTYLBVWNWXKR-GFCCVEGCSA-N 2 0 269.389 0.165 10 0 CCAERP CC[NH+]1CCN(C[C@H](CC[NH3+])[NH+]2CCCC2)CC1 ZINC000076658668 177047609 /nfs/dbraw/zinc/04/76/09/177047609.db2.gz NMGMWNIZKVYKOV-AWEZNQCLSA-N 3 0 254.422 0.437 10 0 CCAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258500 545881627 /nfs/dbraw/zinc/88/16/27/545881627.db2.gz QQAOVYWGMHZDPX-KCJUWKMLSA-N 2 0 251.334 0.339 10 0 CCAERP COCCC[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258598 545881644 /nfs/dbraw/zinc/88/16/44/545881644.db2.gz UQNCVKAXTRMAND-JTQLQIEISA-N 2 0 253.350 0.193 10 0 CCAERP CC(C)([NH3+])c1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271859 545888419 /nfs/dbraw/zinc/88/84/19/545888419.db2.gz DMDXIOCREPUBQT-LLVKDONJSA-N 2 0 279.388 0.946 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000223400727 544824740 /nfs/dbraw/zinc/82/47/40/544824740.db2.gz LWGCLSNRRKDQFX-JHJVBQTASA-N 2 0 251.374 0.811 10 0 CCAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ncnn3C2)[C@@H](C)C1 ZINC000246303479 276231047 /nfs/dbraw/zinc/23/10/47/276231047.db2.gz DFYHKLFYAICGIS-XQQFMLRXSA-N 2 0 263.389 0.913 10 0 CCAERP C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1[NH3+] ZINC000333620611 287905298 /nfs/dbraw/zinc/90/52/98/287905298.db2.gz RODUKVQNGBZBGI-RISCZKNCSA-N 2 0 280.416 0.849 10 0 CCAERP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261634359 279236508 /nfs/dbraw/zinc/23/65/08/279236508.db2.gz DBKHQPASPNYCKO-NTZNESFSSA-N 2 0 257.378 0.372 10 0 CCAERP CC1(C)CN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000334940247 281186674 /nfs/dbraw/zinc/18/66/74/281186674.db2.gz HQELORRDWMSAQF-QWRGUYRKSA-N 2 0 254.378 0.507 10 0 CCAERP C[NH+](C)C1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCC1 ZINC000333655346 282038395 /nfs/dbraw/zinc/03/83/95/282038395.db2.gz WJYLFRWQKGMDCL-LBPRGKRZSA-N 2 0 268.405 0.912 10 0 CCAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000335705796 289325364 /nfs/dbraw/zinc/32/53/64/289325364.db2.gz OCJXPPUFSBOAQO-QWHCGFSZSA-N 2 0 268.405 0.816 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000394388073 545088143 /nfs/dbraw/zinc/08/81/43/545088143.db2.gz XGTRGXLSOINUNE-MJBXVCDLSA-N 2 0 280.416 0.010 10 0 CCAERP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1C[NH2+]C1 ZINC000335395119 297801736 /nfs/dbraw/zinc/80/17/36/297801736.db2.gz ITLIICPRGHGMAU-ZYHUDNBSSA-N 2 0 252.362 0.226 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]1[NH3+])C[NH+]1CCCC1 ZINC000247077797 298751323 /nfs/dbraw/zinc/75/13/23/298751323.db2.gz YXNCTIIHXDXTIX-JHJVBQTASA-N 2 0 253.390 0.962 10 0 CCAERP C[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000333640946 300195053 /nfs/dbraw/zinc/19/50/53/300195053.db2.gz UJMHOXXRWVYANM-XHDPSFHLSA-N 2 0 273.380 0.794 10 0 CCAERP CC[NH2+]CCS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049646578 519924987 /nfs/dbraw/zinc/92/49/87/519924987.db2.gz FWLXPTSKMLDZNL-NWDGAFQWSA-N 2 0 275.418 0.142 10 0 CCAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000062741107 520307777 /nfs/dbraw/zinc/30/77/77/520307777.db2.gz GCNBDYQLJYBWGT-VXGBXAGGSA-N 2 0 257.378 0.341 10 0 CCAERP CCC[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000061712117 519911315 /nfs/dbraw/zinc/91/13/15/519911315.db2.gz TXMYEHCSBSQEMW-CYBMUJFWSA-N 2 0 256.390 0.849 10 0 CCAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942949 519932586 /nfs/dbraw/zinc/93/25/86/519932586.db2.gz AEOQOZICBWWMBI-CHWSQXEVSA-N 2 0 253.390 0.929 10 0 CCAERP CC[NH2+][C@](C)(CN1CC[NH+](CC(C)C)CC1)C(N)=O ZINC000055081383 520231668 /nfs/dbraw/zinc/23/16/68/520231668.db2.gz LTJTZHRGGZQXJE-CQSZACIVSA-N 2 0 270.421 0.114 10 0 CCAERP CN(CC[NH+]1CCCC1)[C@H](C[NH3+])C1CCOCC1 ZINC000063051185 522831665 /nfs/dbraw/zinc/83/16/65/522831665.db2.gz YAZQKEQMZSFQJB-CQSZACIVSA-N 2 0 255.406 0.768 10 0 CCAERP C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050945291 523978748 /nfs/dbraw/zinc/97/87/48/523978748.db2.gz SNKTVGRDSWPFMB-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH3+] ZINC000055123531 524560698 /nfs/dbraw/zinc/56/06/98/524560698.db2.gz IMHWSXQZDMIXKO-RUZUBIRVSA-N 2 0 265.401 0.960 10 0 CCAERP [NH3+]CCCN1CCC[N@H+](CCn2cccn2)CC1 ZINC000049313887 527180051 /nfs/dbraw/zinc/18/00/51/527180051.db2.gz LUNPUROZYJASBD-UHFFFAOYSA-N 2 0 251.378 0.240 10 0 CCAERP Cn1ncc(Cl)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000189165259 527571147 /nfs/dbraw/zinc/57/11/47/527571147.db2.gz RGXGQGIBMBQCNL-UHFFFAOYSA-N 2 0 286.807 0.867 10 0 CCAERP [NH3+]C[C@]1([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000669377315 545206124 /nfs/dbraw/zinc/20/61/24/545206124.db2.gz MGLYWXSENOHVKE-HZPDHXFCSA-N 2 0 276.380 0.989 10 0 CCAERP CN(Cc1c(C[NH3+])cnn1C)C1CC[NH+](C)CC1 ZINC000675056769 545320622 /nfs/dbraw/zinc/32/06/22/545320622.db2.gz WSVGWMYPZBVMQL-UHFFFAOYSA-N 2 0 251.378 0.405 10 0 CCAERP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263226204 536526421 /nfs/dbraw/zinc/52/64/21/536526421.db2.gz MUNULNXVCMJPIO-FPMFFAJLSA-N 2 0 294.395 0.805 10 0 CCAERP C[C@H]([NH2+]C1CCN(CCO)CC1)C1CC[NH+](C)CC1 ZINC000399000301 581207102 /nfs/dbraw/zinc/20/71/02/581207102.db2.gz RXEVCGIQVGKCAQ-ZDUSSCGKSA-N 2 0 269.433 0.763 10 0 CCAERP O=C(C1C[NH2+]C1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000263010203 137056987 /nfs/dbraw/zinc/05/69/87/137056987.db2.gz YLNXFCYMPQQKFP-HNNXBMFYSA-N 2 0 288.395 0.772 10 0 CCAERP O=C(C1C[NH2+]C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000262297930 137035823 /nfs/dbraw/zinc/03/58/23/137035823.db2.gz YXKYQTPZRQJNRY-UHFFFAOYSA-N 2 0 281.400 0.309 10 0 CCAERP O[C@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000310957909 137073600 /nfs/dbraw/zinc/07/36/00/137073600.db2.gz AONKJRJZXSKQKJ-ZIAGYGMSSA-N 2 0 256.390 0.849 10 0 CCAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037005052 348177989 /nfs/dbraw/zinc/17/79/89/348177989.db2.gz FOFDLKJBQPMFOM-STQMWFEESA-N 2 0 269.389 0.090 10 0 CCAERP C[NH2+][C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000054075558 348541136 /nfs/dbraw/zinc/54/11/36/348541136.db2.gz DHCCNFMSFQIOIF-GFCCVEGCSA-N 2 0 253.390 0.929 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290345 348548100 /nfs/dbraw/zinc/54/81/00/348548100.db2.gz VGLGBLYDXFNCBR-QWHCGFSZSA-N 2 0 253.390 0.977 10 0 CCAERP CN1CC[NH+]([C@H](CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000062268815 348666712 /nfs/dbraw/zinc/66/67/12/348666712.db2.gz RAAFFHQOZBQNGD-QGZVFWFLSA-N 2 0 288.439 0.880 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000062972144 348673362 /nfs/dbraw/zinc/67/33/62/348673362.db2.gz XIXUCJCUTCEKKV-STQMWFEESA-N 2 0 253.390 0.929 10 0 CCAERP CC1CC[NH+](CCNC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129690510 350220606 /nfs/dbraw/zinc/22/06/06/350220606.db2.gz OBHBXJGLHLSBOD-UHFFFAOYSA-N 2 0 296.459 0.518 10 0 CCAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129688890 350220620 /nfs/dbraw/zinc/22/06/20/350220620.db2.gz UBLJCOCOLYKLPI-AWEZNQCLSA-N 2 0 296.459 0.517 10 0 CCAERP C[C@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129738088 350221246 /nfs/dbraw/zinc/22/12/46/350221246.db2.gz HMOAKVOARMJWCU-CQSZACIVSA-N 2 0 296.459 0.518 10 0 CCAERP CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000131982845 350293656 /nfs/dbraw/zinc/29/36/56/350293656.db2.gz UXIQBILRQQWFLF-ZDUSSCGKSA-N 2 0 253.390 0.834 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158098501 350653317 /nfs/dbraw/zinc/65/33/17/350653317.db2.gz JHPDTOHOHHEOAR-QNWHQSFQSA-N 2 0 253.390 0.973 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167399359 350809455 /nfs/dbraw/zinc/80/94/55/350809455.db2.gz KTMGLEJSTYDNPC-HUUCEWRRSA-N 2 0 295.427 0.699 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000111269869 186384511 /nfs/dbraw/zinc/38/45/11/186384511.db2.gz YCHBTMRZOMMJKL-HUUCEWRRSA-N 3 0 298.475 0.574 10 0 CCAERP C[NH+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000172166660 350963026 /nfs/dbraw/zinc/96/30/26/350963026.db2.gz CPQFVFASPUFOQO-CQSZACIVSA-N 2 0 263.385 0.837 10 0 CCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C3(C[NH3+])CCOCC3)CC[C@H]21 ZINC000227331311 352044291 /nfs/dbraw/zinc/04/42/91/352044291.db2.gz XUYHMXGLZVSZFY-UONOGXRCSA-N 2 0 295.427 0.685 10 0 CCAERP CC(C)([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000236777140 352212795 /nfs/dbraw/zinc/21/27/95/352212795.db2.gz UMLXPCPEBXNJSP-GFCCVEGCSA-N 2 0 269.389 0.295 10 0 CCAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CN3CCCC3=O)CC[C@H]21 ZINC000248163794 352432893 /nfs/dbraw/zinc/43/28/93/352432893.db2.gz SPCUJQYHEMZSPM-QLFBSQMISA-N 2 0 295.427 0.386 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000252199307 352513442 /nfs/dbraw/zinc/51/34/42/352513442.db2.gz VZPWOWWVKDABGC-JHJVBQTASA-N 2 0 253.390 0.975 10 0 CCAERP COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000300257732 354060832 /nfs/dbraw/zinc/06/08/32/354060832.db2.gz GGPKRIZGZRTQRO-IHRRRGAJSA-N 2 0 274.405 0.282 10 0 CCAERP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333891038 354811825 /nfs/dbraw/zinc/81/18/25/354811825.db2.gz YFJLUDJBWKNIQH-ZDUSSCGKSA-N 2 0 266.389 0.690 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000333625399 283066357 /nfs/dbraw/zinc/06/63/57/283066357.db2.gz FTLNDEMBGBRDRH-NEPJUHHUSA-N 2 0 266.389 0.603 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000335403581 354995684 /nfs/dbraw/zinc/99/56/84/354995684.db2.gz JOVKUVABZUGSQF-LBPRGKRZSA-N 2 0 252.362 0.228 10 0 CCAERP C[C@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1C[NH3+] ZINC000631844167 370710256 /nfs/dbraw/zinc/71/02/56/370710256.db2.gz VNCWXOURVLAHLW-NWDGAFQWSA-N 2 0 272.352 0.721 10 0 CCAERP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261834513 283979996 /nfs/dbraw/zinc/97/99/96/283979996.db2.gz PABJIMLCSIPUTN-FRRDWIJNSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@H]1CC[NH2+]C1 ZINC000629556590 369706114 /nfs/dbraw/zinc/70/61/14/369706114.db2.gz TZJWAEHFMIVHAX-GMXVVIOVSA-N 2 0 251.374 0.727 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771618 372222129 /nfs/dbraw/zinc/22/21/29/372222129.db2.gz BHOQUHWRVQSPDM-GUTXKFCHSA-N 2 0 265.401 0.977 10 0 CCAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000333311580 205207635 /nfs/dbraw/zinc/20/76/35/205207635.db2.gz RXHVTOBHZABUGQ-ILXRZTDVSA-N 2 0 295.427 0.731 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638072719 374624375 /nfs/dbraw/zinc/62/43/75/374624375.db2.gz VCRRRUCOPATOFG-DZGCQCFKSA-N 2 0 285.432 0.834 10 0 CCAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747044 295306244 /nfs/dbraw/zinc/30/62/44/295306244.db2.gz ORNJNBGKNSDISV-QWHCGFSZSA-N 2 0 251.374 0.811 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000335285718 208104551 /nfs/dbraw/zinc/10/45/51/208104551.db2.gz RTXIUCTZSKTIBZ-RYUDHWBXSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392933689 285206644 /nfs/dbraw/zinc/20/66/44/285206644.db2.gz LNEZQJBPLXMMSM-RVMXOQNASA-N 2 0 251.374 0.870 10 0 CCAERP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H]1CCC[N@H+](C)C1 ZINC000188919355 388945169 /nfs/dbraw/zinc/94/51/69/388945169.db2.gz SLRBDEYHXYTRNJ-JTQLQIEISA-N 2 0 277.372 0.222 10 0 CCAERP CC(C)N1CCC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000193638736 389075278 /nfs/dbraw/zinc/07/52/78/389075278.db2.gz NLLDICXHHHDAMP-MJBXVCDLSA-N 2 0 265.401 0.879 10 0 CCAERP COC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309682860 389093916 /nfs/dbraw/zinc/09/39/16/389093916.db2.gz BFOFOLXIYWKTFJ-CABCVRRESA-N 2 0 291.395 0.598 10 0 CCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000335284255 389544323 /nfs/dbraw/zinc/54/43/23/389544323.db2.gz FBUOHTHQUKYIQC-CMPLNLGQSA-N 2 0 252.362 0.084 10 0 CCAERP C[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)[NH+]1CCCCCC1 ZINC000175795017 389547262 /nfs/dbraw/zinc/54/72/62/389547262.db2.gz CLPPWQVVWBWLLA-UONOGXRCSA-N 2 0 283.416 0.698 10 0 CCAERP COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649328098 390585825 /nfs/dbraw/zinc/58/58/25/390585825.db2.gz XJMMOFMIADJPIW-OCCSQVGLSA-N 2 0 267.373 0.062 10 0 CCAERP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000649327944 390585900 /nfs/dbraw/zinc/58/59/00/390585900.db2.gz RACPQVUNXXUSJX-WDEREUQCSA-N 2 0 273.327 0.538 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649328385 390586557 /nfs/dbraw/zinc/58/65/57/390586557.db2.gz UYPIRBNIXNSZGH-UKRRQHHQSA-N 2 0 283.416 0.698 10 0 CCAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643775492 390541179 /nfs/dbraw/zinc/54/11/79/390541179.db2.gz WSZKIMPAOAUMJI-OLZOCXBDSA-N 2 0 269.389 0.165 10 0 CCAERP COCCC1(C(=O)N2CC[C@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000643777633 390542604 /nfs/dbraw/zinc/54/26/04/390542604.db2.gz PLKBGUFCQWEPDS-ZDUSSCGKSA-N 2 0 283.416 0.555 10 0 CCAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1cccs1 ZINC000649277573 390544887 /nfs/dbraw/zinc/54/48/87/390544887.db2.gz FNEKGTSGYKRRHZ-VXGBXAGGSA-N 2 0 297.424 0.703 10 0 CCAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649278787 390545072 /nfs/dbraw/zinc/54/50/72/390545072.db2.gz BTJYMTZQKNIWHJ-ZDUSSCGKSA-N 2 0 269.389 0.023 10 0 CCAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1cccs1 ZINC000649277572 390545634 /nfs/dbraw/zinc/54/56/34/390545634.db2.gz FNEKGTSGYKRRHZ-RYUDHWBXSA-N 2 0 297.424 0.703 10 0 CCAERP O=C([C@H]1C[NH2+]CCOC1)N1CC[NH+](C2CCCC2)CC1 ZINC000649286036 390550185 /nfs/dbraw/zinc/55/01/85/390550185.db2.gz MTBRBVURUBMHCJ-ZDUSSCGKSA-N 2 0 281.400 0.309 10 0 CCAERP COC[C@@]1(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCC[NH2+]1 ZINC000649298867 390558698 /nfs/dbraw/zinc/55/86/98/390558698.db2.gz DGLKIIZQBVAUGJ-DZGCQCFKSA-N 2 0 285.432 0.848 10 0 CCAERP COC[C@]1(C(=O)NCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000649318466 390576198 /nfs/dbraw/zinc/57/61/98/390576198.db2.gz MWGJUUCBQTYXLB-ZDUSSCGKSA-N 2 0 257.378 0.211 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578365161 390880428 /nfs/dbraw/zinc/88/04/28/390880428.db2.gz YIXFSTLARDNONW-FVCCEPFGSA-N 2 0 251.374 0.809 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@@H](C)C2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000262467688 287148855 /nfs/dbraw/zinc/14/88/55/287148855.db2.gz XZDUDORNEWUIAI-MBNYWOFBSA-N 2 0 283.416 0.146 10 0 CCAERP CCN(C)C(=O)CN1CC[NH+](CCCCC[NH3+])CC1 ZINC000037223160 173043646 /nfs/dbraw/zinc/04/36/46/173043646.db2.gz HYAGNYZXGSJCJJ-UHFFFAOYSA-N 2 0 270.421 0.211 10 0 CCAERP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000662260393 414701235 /nfs/dbraw/zinc/70/12/35/414701235.db2.gz MFJZJCVCVGUSCE-KBPBESRZSA-N 2 0 265.401 0.678 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1(C[NH3+])CCOCC1 ZINC000071189085 176064799 /nfs/dbraw/zinc/06/47/99/176064799.db2.gz IDWIOQYQBSNPDQ-GFCCVEGCSA-N 2 0 269.389 0.152 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189572 176065800 /nfs/dbraw/zinc/06/58/00/176065800.db2.gz GEDDFIIMIUYNJU-MNOVXSKESA-N 2 0 259.419 0.477 10 0 CCAERP C[NH+](C)CC(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262946 545883215 /nfs/dbraw/zinc/88/32/15/545883215.db2.gz VJXKWGAYGYZAJK-RKDXNWHRSA-N 2 0 267.295 0.595 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262668 545882429 /nfs/dbraw/zinc/88/24/29/545882429.db2.gz KLNVOQCWCYHMFM-DTWKUNHWSA-N 2 0 267.295 0.676 10 0 CCAERP CCO[C@@H](C[NH3+])CCNc1ccnn1C1C[NH2+]C1 ZINC000725258279 545882544 /nfs/dbraw/zinc/88/25/44/545882544.db2.gz MTZKOLSJAUAKIK-LLVKDONJSA-N 2 0 253.350 0.193 10 0 CCAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262099706 544939602 /nfs/dbraw/zinc/93/96/02/544939602.db2.gz IORYSMGYEIZNRL-UHIISALHSA-N 2 0 295.358 0.713 10 0 CCAERP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[NH2+][C@H]2C)[N@H+](C)C1 ZINC000333881906 545044042 /nfs/dbraw/zinc/04/40/42/545044042.db2.gz WIFNJDWYQJEZPB-XUXIUFHCSA-N 2 0 298.431 0.487 10 0 CCAERP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000332893575 545035943 /nfs/dbraw/zinc/03/59/43/545035943.db2.gz IJFYXAAOHDFBON-DOMZBBRYSA-N 2 0 295.427 0.887 10 0 CCAERP [NH3+][C@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000333601532 545040531 /nfs/dbraw/zinc/04/05/31/545040531.db2.gz PPGZQACVCHWTJS-LBPRGKRZSA-N 2 0 273.340 0.967 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647037 276379173 /nfs/dbraw/zinc/37/91/73/276379173.db2.gz LNVMZGRQPJWPQS-FRRDWIJNSA-N 2 0 253.390 0.975 10 0 CCAERP COCCOCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175648216 277231225 /nfs/dbraw/zinc/23/12/25/277231225.db2.gz AEBDDKLHFZQDOT-CQSZACIVSA-N 2 0 288.432 0.674 10 0 CCAERP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333481137 289037707 /nfs/dbraw/zinc/03/77/07/289037707.db2.gz CCLKWYZRJASBFW-MGPQQGTHSA-N 2 0 298.431 0.225 10 0 CCAERP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333733627 289765579 /nfs/dbraw/zinc/76/55/79/289765579.db2.gz WNRKPOVCJKKSHD-AAEUAGOBSA-N 2 0 268.405 0.897 10 0 CCAERP C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000261924293 299921532 /nfs/dbraw/zinc/92/15/32/299921532.db2.gz ZFHBMOHRXZHYKW-AAEUAGOBSA-N 2 0 253.390 0.914 10 0 CCAERP CS[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1[NH+](C)C ZINC000262594121 295645857 /nfs/dbraw/zinc/64/58/57/295645857.db2.gz WAPGYGGWTHQFPI-MXWKQRLJSA-N 2 0 259.419 0.474 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000389644755 545086849 /nfs/dbraw/zinc/08/68/49/545086849.db2.gz MDNFLYHRSNXGGB-AGIUHOORSA-N 2 0 253.390 0.975 10 0 CCAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000193310155 298952229 /nfs/dbraw/zinc/95/22/29/298952229.db2.gz STRXJKQNENGLQA-UONOGXRCSA-N 2 0 283.416 0.685 10 0 CCAERP CC(C)C[NH+]1CCN(CCC[C@@](C)([NH3+])C(N)=O)CC1 ZINC000055081159 519726259 /nfs/dbraw/zinc/72/62/59/519726259.db2.gz YIMUQNISPBFNNX-CQSZACIVSA-N 2 0 270.421 0.243 10 0 CCAERP CC[NH2+]CCS(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000049640714 519925272 /nfs/dbraw/zinc/92/52/72/519925272.db2.gz IFXHOVZQCDUTFS-UHFFFAOYSA-N 2 0 265.423 0.103 10 0 CCAERP CC(C)[NH2+]CCCS(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061653272 519720967 /nfs/dbraw/zinc/72/09/67/519720967.db2.gz ZNZPYUQVZMYGNH-CYBMUJFWSA-N 2 0 291.461 0.730 10 0 CCAERP CC[NH2+][C@H](CCN1CC[NH+]([C@H](C)CC)CC1)C(N)=O ZINC000062531908 520189287 /nfs/dbraw/zinc/18/92/87/520189287.db2.gz KIRQATCLSJTQAF-CHWSQXEVSA-N 2 0 270.421 0.256 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051091223 521717101 /nfs/dbraw/zinc/71/71/01/521717101.db2.gz CNYZISLRXBHDHX-SNVBAGLBSA-N 2 0 263.345 0.439 10 0 CCAERP COCC[N@H+](C)CCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000061380875 523584133 /nfs/dbraw/zinc/58/41/33/523584133.db2.gz YISXKELDRFAOIG-AGUYFDCRSA-N 2 0 255.406 0.909 10 0 CCAERP COCC[N@H+](CCn1cc(C[NH3+])nn1)[C@@H](C)C1CC1 ZINC000052545389 523728780 /nfs/dbraw/zinc/72/87/80/523728780.db2.gz JRDQIKUZRKIWMD-NSHDSACASA-N 2 0 267.377 0.484 10 0 CCAERP C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000049560698 524164754 /nfs/dbraw/zinc/16/47/54/524164754.db2.gz XIJWEJNVGVYOEJ-SECBINFHSA-N 2 0 291.442 0.825 10 0 CCAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000055130398 525086590 /nfs/dbraw/zinc/08/65/90/525086590.db2.gz YTCVYONIGOGCRH-VOAKCMCISA-N 2 0 253.390 0.818 10 0 CCAERP [NH3+]CCCC[N@@H+]1CCCN(C(=O)NC2CC2)CC1 ZINC000054456938 527176067 /nfs/dbraw/zinc/17/60/67/527176067.db2.gz XHLYUOHCSXFFPO-UHFFFAOYSA-N 2 0 254.378 0.605 10 0 CCAERP CC[NH+]1CCN(CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261910692 535679043 /nfs/dbraw/zinc/67/90/43/535679043.db2.gz TVHUAYCVLRFBIQ-AWEZNQCLSA-N 2 0 296.459 0.600 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000311251092 625513244 /nfs/dbraw/zinc/51/32/44/625513244.db2.gz FAMHNKYFGYCFEU-CABCVRRESA-N 2 0 269.433 0.859 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000235290735 623155170 /nfs/dbraw/zinc/15/51/70/623155170.db2.gz WSAOOPJOAVOJSQ-FRRDWIJNSA-N 2 0 253.390 0.833 10 0 CCAERP CN(C[C@H](O)C[NH+]1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000310958301 623604581 /nfs/dbraw/zinc/60/45/81/623604581.db2.gz AJFADTHUXDOTNU-KBPBESRZSA-N 2 0 255.406 0.517 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]12 ZINC000307953683 624823255 /nfs/dbraw/zinc/82/32/55/624823255.db2.gz YBZFXXSRNYAAME-XFWSIPNHSA-N 2 0 252.280 0.969 10 0 CCAERP C[N@@H+](Cc1ccncc1)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000097035371 649828459 /nfs/dbraw/zinc/82/84/59/649828459.db2.gz YDNZSWRSDLPTAV-OAHLLOKOSA-N 2 0 278.400 0.122 10 0 CCAERP COc1ccc([C@H](C)C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263142260 137059234 /nfs/dbraw/zinc/05/92/34/137059234.db2.gz CJWLYTRKNFKZQU-KYOSRNDESA-N 2 0 264.369 0.969 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000263261407 137062148 /nfs/dbraw/zinc/06/21/48/137062148.db2.gz RAUJIFFCUNFCLV-BBRMVZONSA-N 2 0 275.396 0.825 10 0 CCAERP O=C(NCCCCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000263305906 137063372 /nfs/dbraw/zinc/06/33/72/137063372.db2.gz OJHOTHZUGAPALU-UHFFFAOYSA-N 2 0 253.390 0.978 10 0 CCAERP C[C@H]1C[N@@H+](C2CCN(C(=O)C[NH2+]CC3CC3)CC2)CCO1 ZINC000263302280 137063490 /nfs/dbraw/zinc/06/34/90/137063490.db2.gz ZRUOEBVVAQGRPO-ZDUSSCGKSA-N 2 0 295.427 0.698 10 0 CCAERP C[N@H+](CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC000036906993 348174695 /nfs/dbraw/zinc/17/46/95/348174695.db2.gz JHZWDWVXMXJNOK-GJZGRUSLSA-N 2 0 291.395 0.348 10 0 CCAERP O=C(CC[NH2+]C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812788 348208341 /nfs/dbraw/zinc/20/83/41/348208341.db2.gz LZGXGGJFNPBMOG-CYBMUJFWSA-N 2 0 251.374 0.825 10 0 CCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129743163 350222309 /nfs/dbraw/zinc/22/23/09/350222309.db2.gz RBTFSRKWCYYVFG-CQSZACIVSA-N 2 0 296.459 0.613 10 0 CCAERP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[NH+](C)C ZINC000162014506 350733464 /nfs/dbraw/zinc/73/34/64/350733464.db2.gz ILHMAHVAUFXMES-UONOGXRCSA-N 2 0 285.432 0.944 10 0 CCAERP O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccn2c[nH+]cc2c1 ZINC000168311021 350823412 /nfs/dbraw/zinc/82/34/12/350823412.db2.gz INNWBKPIYSNQSN-ZWKOPEQDSA-N 2 0 256.309 0.815 10 0 CCAERP CN1CCN([C@@H]2CCCC[N@H+](CCn3cccn3)C2)CC1 ZINC000174903565 351110068 /nfs/dbraw/zinc/11/00/68/351110068.db2.gz DKEZBILRBYOHDB-MRXNPFEDSA-N 2 0 291.443 0.985 10 0 CCAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000245985857 352344085 /nfs/dbraw/zinc/34/40/85/352344085.db2.gz QBZLSMRXVSLAJW-OLZOCXBDSA-N 2 0 251.374 0.824 10 0 CCAERP CCCN(C(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000333705124 283012290 /nfs/dbraw/zinc/01/22/90/283012290.db2.gz RKNFOQQEPJLEJK-STQMWFEESA-N 2 0 268.405 0.912 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000335378294 354995138 /nfs/dbraw/zinc/99/51/38/354995138.db2.gz KWIFCWJMZGCRGW-FZMZJTMJSA-N 2 0 278.400 0.617 10 0 CCAERP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC[NH2+]1 ZINC000136206605 291362785 /nfs/dbraw/zinc/36/27/85/291362785.db2.gz HHABURYOWDPAAR-VNHYZAJKSA-N 2 0 281.400 0.498 10 0 CCAERP O=C(NCC[NH+]1CCCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764036 372211171 /nfs/dbraw/zinc/21/11/71/372211171.db2.gz JXNDIHYXEGYVPW-ZFWWWQNUSA-N 2 0 265.401 0.978 10 0 CCAERP C[NH+](C)CCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764915 372212772 /nfs/dbraw/zinc/21/27/72/372212772.db2.gz GSJXTBURONMXHU-JSGCOSHPSA-N 2 0 253.390 0.834 10 0 CCAERP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H]2C[NH3+])CCSC1 ZINC000333432239 205316636 /nfs/dbraw/zinc/31/66/36/205316636.db2.gz UUKMLXNNMOZGGJ-WCQYABFASA-N 2 0 286.445 0.556 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638081317 374639106 /nfs/dbraw/zinc/63/91/06/374639106.db2.gz XQJRBOWDTUZDIF-SGMGOOAPSA-N 2 0 269.389 0.354 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638081160 374640664 /nfs/dbraw/zinc/64/06/64/374640664.db2.gz WCFABEWLBSZDID-HIFRSBDPSA-N 2 0 283.416 0.746 10 0 CCAERP O=C(NC[C@@H]1CC[NH2+]C1)C12CCC[NH+](CCC1)C2 ZINC000638166728 374746856 /nfs/dbraw/zinc/74/68/56/374746856.db2.gz VLNUPEGTOFRCPM-GFCCVEGCSA-N 2 0 251.374 0.588 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000334925608 207303595 /nfs/dbraw/zinc/30/35/95/207303595.db2.gz NFBWGILJGQATED-LLVKDONJSA-N 2 0 254.378 0.651 10 0 CCAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392933686 285206508 /nfs/dbraw/zinc/20/65/08/285206508.db2.gz LNEZQJBPLXMMSM-CYDGBPFRSA-N 2 0 251.374 0.870 10 0 CCAERP CC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106386566 389092842 /nfs/dbraw/zinc/09/28/42/389092842.db2.gz WOLKHJGOWSGCSY-OCCSQVGLSA-N 2 0 258.406 0.782 10 0 CCAERP CC(C)N1CC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000193607356 389074599 /nfs/dbraw/zinc/07/45/99/389074599.db2.gz WXDMPFPTIMLERV-XQQFMLRXSA-N 2 0 251.374 0.489 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)C)CC1 ZINC000105862086 389089013 /nfs/dbraw/zinc/08/90/13/389089013.db2.gz WCGDTRIYKGPQND-LBPRGKRZSA-N 2 0 271.405 0.099 10 0 CCAERP CCOC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915523 389089339 /nfs/dbraw/zinc/08/93/39/389089339.db2.gz FQXJUYSAJZCLRH-CYBMUJFWSA-N 2 0 286.416 0.964 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000306228826 389090592 /nfs/dbraw/zinc/09/05/92/389090592.db2.gz JFUPQOVKWXATPE-HZPDHXFCSA-N 2 0 275.396 0.527 10 0 CCAERP [NH3+]CCCC1=c2ccccc2=C2[NH+]=c3ccccc3=C12 ZINC000223813240 389144261 /nfs/dbraw/zinc/14/42/61/389144261.db2.gz WSMOLFOFEPBSME-UHFFFAOYSA-N 2 0 260.340 0.182 10 0 CCAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC(N)=O)C1 ZINC000195286481 389121839 /nfs/dbraw/zinc/12/18/39/389121839.db2.gz ZJRKSJFEUYSPPV-ZDUSSCGKSA-N 2 0 262.357 0.321 10 0 CCAERP CC[C@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247169180 389236902 /nfs/dbraw/zinc/23/69/02/389236902.db2.gz MUOFIFGBHXCAOB-KBPBESRZSA-N 2 0 299.459 0.926 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000263272183 389299163 /nfs/dbraw/zinc/29/91/63/389299163.db2.gz SIGYDXDJLRNQPJ-VEGXAWMVSA-N 2 0 252.358 0.114 10 0 CCAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[NH2+]C1 ZINC000263322751 389299447 /nfs/dbraw/zinc/29/94/47/389299447.db2.gz RSXGEDHXYARLCM-GRYCIOLGSA-N 2 0 253.390 0.688 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000333298319 389408729 /nfs/dbraw/zinc/40/87/29/389408729.db2.gz IQPGBMIQQUYXOY-MDZLAQPJSA-N 2 0 266.389 0.744 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333450626 389413912 /nfs/dbraw/zinc/41/39/12/389413912.db2.gz XMDIPXUWLKNPHT-DYEKYZERSA-N 2 0 280.416 0.910 10 0 CCAERP C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172163399 389484660 /nfs/dbraw/zinc/48/46/60/389484660.db2.gz WRYZKUIRQKFIEN-HZPDHXFCSA-N 2 0 278.444 0.546 10 0 CCAERP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643774184 390540270 /nfs/dbraw/zinc/54/02/70/390540270.db2.gz PEWWQWBWYNTNMA-ZDUSSCGKSA-N 2 0 283.416 0.555 10 0 CCAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643783438 390549114 /nfs/dbraw/zinc/54/91/14/390549114.db2.gz SCROFHJZWJUIAQ-LBPRGKRZSA-N 2 0 257.378 0.023 10 0 CCAERP COC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000649301341 390560022 /nfs/dbraw/zinc/56/00/22/390560022.db2.gz WBUUQZZHZDDWJK-DZGCQCFKSA-N 2 0 283.416 0.603 10 0 CCAERP COCCC1(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]CC1 ZINC000649307786 390567729 /nfs/dbraw/zinc/56/77/29/390567729.db2.gz JICMGUZDTUHIAX-UHFFFAOYSA-N 2 0 283.416 0.603 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649335096 390591591 /nfs/dbraw/zinc/59/15/91/390591591.db2.gz FCAOBZMWKXURKY-UTUOFQBUSA-N 2 0 287.354 0.926 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646140803 390616694 /nfs/dbraw/zinc/61/66/94/390616694.db2.gz XPEGNXVYQXUIOA-NWDGAFQWSA-N 2 0 253.390 0.927 10 0 CCAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000262235046 299664071 /nfs/dbraw/zinc/66/40/71/299664071.db2.gz MXXZAVVFMGYMST-GFCCVEGCSA-N 2 0 288.395 0.943 10 0 CCAERP COc1ccc([C@H]([NH3+])CN2CC[NH+](C)CC2)cc1OC ZINC000022563529 171391207 /nfs/dbraw/zinc/39/12/07/171391207.db2.gz GUKVLYMIGCKKCV-CYBMUJFWSA-N 2 0 279.384 0.951 10 0 CCAERP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653106569 412220016 /nfs/dbraw/zinc/22/00/16/412220016.db2.gz DDRLBFIDJAMJBC-GHMZBOCLSA-N 2 0 293.333 0.986 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+](C)C ZINC000038089268 174102306 /nfs/dbraw/zinc/10/23/06/174102306.db2.gz OCLYQKMKVGAJDK-CYDGBPFRSA-N 2 0 253.390 0.973 10 0 CCAERP O=C(C[NH2+]C1CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101759 174117893 /nfs/dbraw/zinc/11/78/93/174117893.db2.gz DLJMHVGPOOIGHE-UHFFFAOYSA-N 2 0 251.374 0.825 10 0 CCAERP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH+](C)C ZINC000662278343 414705420 /nfs/dbraw/zinc/70/54/20/414705420.db2.gz FZFMIRZFZAUATH-UPJWGTAASA-N 2 0 253.390 0.389 10 0 CCAERP C[C@@H](O)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256962 414700465 /nfs/dbraw/zinc/70/04/65/414700465.db2.gz KQUPIWUTWFLUDO-YPMHNXCESA-N 2 0 254.374 0.600 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662593572 414731152 /nfs/dbraw/zinc/73/11/52/414731152.db2.gz PLBLPZHLGGNBLN-NEPJUHHUSA-N 2 0 253.390 0.833 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000665275365 415584717 /nfs/dbraw/zinc/58/47/17/415584717.db2.gz JDMPJSWUDQJEKD-VXGBXAGGSA-N 2 0 274.430 0.931 10 0 CCAERP CC[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nn1 ZINC000071191679 176071093 /nfs/dbraw/zinc/07/10/93/176071093.db2.gz XQIJODKJPYTMJE-LBPRGKRZSA-N 2 0 263.389 0.974 10 0 CCAERP CC[NH+]1CCN(C[C@@H](CC[NH3+])[NH+]2CCCC2)CC1 ZINC000076658665 177047504 /nfs/dbraw/zinc/04/75/04/177047504.db2.gz NMGMWNIZKVYKOV-CQSZACIVSA-N 3 0 254.422 0.437 10 0 CCAERP C[NH2+]Cc1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272326 545888733 /nfs/dbraw/zinc/88/87/33/545888733.db2.gz LMQYPWNQXJBYHX-LBPRGKRZSA-N 2 0 265.361 0.471 10 0 CCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1C[NH2+]C[C@H]1O ZINC000262080077 544939356 /nfs/dbraw/zinc/93/93/56/544939356.db2.gz DYJVGLNZGKGWCC-MXASKKJJSA-N 2 0 289.423 0.677 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000262188820 544942191 /nfs/dbraw/zinc/94/21/91/544942191.db2.gz YAQCJEWZHDVNJO-JSGCOSHPSA-N 2 0 268.401 0.896 10 0 CCAERP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262148414 544942474 /nfs/dbraw/zinc/94/24/74/544942474.db2.gz HOOWPNDDLDTOKU-GHMZBOCLSA-N 2 0 283.397 0.120 10 0 CCAERP Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000333618689 545040748 /nfs/dbraw/zinc/04/07/48/545040748.db2.gz TVAAASLIEQZXQF-MJBXVCDLSA-N 2 0 264.373 0.982 10 0 CCAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247570040 279265187 /nfs/dbraw/zinc/26/51/87/279265187.db2.gz WLBONNFTKWHGRQ-UONOGXRCSA-N 2 0 283.416 0.650 10 0 CCAERP CC[NH+]1CCN(CC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000261893109 279352954 /nfs/dbraw/zinc/35/29/54/279352954.db2.gz VLQRXBPUMYTPCA-KBPBESRZSA-N 2 0 282.432 0.210 10 0 CCAERP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000163998185 289374817 /nfs/dbraw/zinc/37/48/17/289374817.db2.gz DSRIHCLZHIFHTH-WCFLWFBJSA-N 2 0 251.374 0.585 10 0 CCAERP [NH3+]C1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000333663124 295211637 /nfs/dbraw/zinc/21/16/37/295211637.db2.gz LXJFHABHHDFYBM-WXRRBKDZSA-N 2 0 266.389 0.746 10 0 CCAERP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333647399 295245091 /nfs/dbraw/zinc/24/50/91/295245091.db2.gz JFWFHGDMHSAEFU-NEPJUHHUSA-N 2 0 254.378 0.651 10 0 CCAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747069 295338738 /nfs/dbraw/zinc/33/87/38/295338738.db2.gz ORNJNBGKNSDISV-OLZOCXBDSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333475187 297538847 /nfs/dbraw/zinc/53/88/47/297538847.db2.gz BJRRPBQKKSNBQJ-RVMXOQNASA-N 2 0 266.389 0.378 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389540347 545087018 /nfs/dbraw/zinc/08/70/18/545087018.db2.gz FQMBZDPBAPSPLH-AGIUHOORSA-N 2 0 253.390 0.962 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000394388069 545088140 /nfs/dbraw/zinc/08/81/40/545088140.db2.gz XGTRGXLSOINUNE-BFHYXJOUSA-N 2 0 280.416 0.010 10 0 CCAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000085374747 298761067 /nfs/dbraw/zinc/76/10/67/298761067.db2.gz YXNCTIIHXDXTIX-AGIUHOORSA-N 2 0 253.390 0.962 10 0 CCAERP CCC[NH2+]C[C@@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061654988 519920887 /nfs/dbraw/zinc/92/08/87/519920887.db2.gz XOOJDMUDCBVUOU-OAHLLOKOSA-N 2 0 270.465 0.944 10 0 CCAERP C[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CO)CCOCC1 ZINC000052197453 521969778 /nfs/dbraw/zinc/96/97/78/521969778.db2.gz YOWWXCPQYZJLIO-CYBMUJFWSA-N 2 0 256.390 0.849 10 0 CCAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055063663 522130909 /nfs/dbraw/zinc/13/09/09/522130909.db2.gz RTBZPJGLMSAFAS-TZMCWYRMSA-N 2 0 265.405 0.836 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000085365106 518197672 /nfs/dbraw/zinc/19/76/72/518197672.db2.gz SVTYPVOIKTUVBH-CYZMBNFOSA-N 2 0 251.374 0.714 10 0 CCAERP C(CN1CCC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000061275342 518389887 /nfs/dbraw/zinc/38/98/87/518389887.db2.gz FZMBVSYWXVUKCL-UHFFFAOYSA-N 2 0 266.433 0.309 10 0 CCAERP CCC[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052422005 519858626 /nfs/dbraw/zinc/85/86/26/519858626.db2.gz RBQLVLNPMOHUEG-KGLIPLIRSA-N 2 0 255.406 0.781 10 0 CCAERP CCCO[C@@H]1CCC[N@H+](CC2(O)CC[NH2+]CC2)C1 ZINC000051016146 520272471 /nfs/dbraw/zinc/27/24/71/520272471.db2.gz SCJJCDYDMXKNDX-CYBMUJFWSA-N 2 0 256.390 0.992 10 0 CCAERP CCC(CC)[C@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643168 521616058 /nfs/dbraw/zinc/61/60/58/521616058.db2.gz VZWRAADWMSTAIS-HNNXBMFYSA-N 2 0 270.465 0.929 10 0 CCAERP CC[NH+]1CCN([C@H](C[NH3+])c2c(C)nn(C)c2C)CC1 ZINC000053994324 521694574 /nfs/dbraw/zinc/69/45/74/521694574.db2.gz WOVUKFFPRQNRPE-CYBMUJFWSA-N 2 0 265.405 0.674 10 0 CCAERP C[NH+](C)CCN1CCN(C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000061643923 521765528 /nfs/dbraw/zinc/76/55/28/521765528.db2.gz IITFVGMDYNXXRJ-ZDUSSCGKSA-N 2 0 256.438 0.539 10 0 CCAERP Cn1cc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cn1 ZINC000061641971 521873170 /nfs/dbraw/zinc/87/31/70/521873170.db2.gz OAQMYMBSIDGLTK-OLZOCXBDSA-N 2 0 251.378 0.446 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000061401499 523596220 /nfs/dbraw/zinc/59/62/20/523596220.db2.gz NTTOYNIYYRUKFN-STQMWFEESA-N 2 0 271.405 0.446 10 0 CCAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000055131671 524203867 /nfs/dbraw/zinc/20/38/67/524203867.db2.gz VLBRYGPBBUEEAP-RWMBFGLXSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094009785 581592242 /nfs/dbraw/zinc/59/22/42/581592242.db2.gz YFCNHQJDLHEKPH-LLVKDONJSA-N 2 0 297.424 0.984 10 0 CCAERP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1[NH+](C)C ZINC000310558878 623347943 /nfs/dbraw/zinc/34/79/43/623347943.db2.gz ISWMZHRJFCTZBK-MGPQQGTHSA-N 2 0 255.406 0.325 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000310667887 623438214 /nfs/dbraw/zinc/43/82/14/623438214.db2.gz FKHQXKICPSQGEP-WXHSDQCUSA-N 2 0 251.374 0.809 10 0 CCAERP COc1nccnc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000095071597 349587374 /nfs/dbraw/zinc/58/73/74/349587374.db2.gz PSUSXWFTICBJOS-UHFFFAOYSA-N 2 0 250.346 0.917 10 0 CCAERP O=C(C[N@H+]1CCC[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000101727102 349668309 /nfs/dbraw/zinc/66/83/09/349668309.db2.gz NDKIZHDFUSWQLV-CQSZACIVSA-N 2 0 281.400 0.186 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000111269570 349768840 /nfs/dbraw/zinc/76/88/40/349768840.db2.gz OHJCZRSKPAAJMD-UKRRQHHQSA-N 2 0 295.427 0.413 10 0 CCAERP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000117045945 349880539 /nfs/dbraw/zinc/88/05/39/349880539.db2.gz OGXVSHPBGKNLQB-OCCSQVGLSA-N 2 0 298.431 0.441 10 0 CCAERP CN1CCO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250372272 137001522 /nfs/dbraw/zinc/00/15/22/137001522.db2.gz JAJBDHWXQTWVNA-MELADBBJSA-N 2 0 253.390 0.533 10 0 CCAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261655717 137014453 /nfs/dbraw/zinc/01/44/53/137014453.db2.gz FLIGHWADESQALA-TUAOUCFPSA-N 2 0 257.378 0.339 10 0 CCAERP C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261809525 137021289 /nfs/dbraw/zinc/02/12/89/137021289.db2.gz OQDXPMNUDHGEOH-ONGXEEELSA-N 2 0 282.388 0.422 10 0 CCAERP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1C[NH2+]C1 ZINC000263271643 137062658 /nfs/dbraw/zinc/06/26/58/137062658.db2.gz IDQVWBUFRMNKKI-UHFFFAOYSA-N 2 0 274.368 0.382 10 0 CCAERP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263291700 137062981 /nfs/dbraw/zinc/06/29/81/137062981.db2.gz VTHNFFWEUFNTQI-FPMFFAJLSA-N 2 0 264.369 0.796 10 0 CCAERP O[C@@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000310957907 137073712 /nfs/dbraw/zinc/07/37/12/137073712.db2.gz AONKJRJZXSKQKJ-KGLIPLIRSA-N 2 0 256.390 0.849 10 0 CCAERP CNC1=[NH+]C[C@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000032218504 348132030 /nfs/dbraw/zinc/13/20/30/348132030.db2.gz VRAQGWMAAWWDBM-CQSZACIVSA-N 2 0 274.368 0.783 10 0 CCAERP COC[C@@H](C)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104443453 186004016 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CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000333612286 354762778 /nfs/dbraw/zinc/76/27/78/354762778.db2.gz GXCLQXFQWYGEFN-AWEZNQCLSA-N 2 0 298.431 0.492 10 0 CCAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333672165 354774227 /nfs/dbraw/zinc/77/42/27/354774227.db2.gz NHDZGXNMGAUABO-TUAOUCFPSA-N 2 0 254.378 0.520 10 0 CCAERP [NH3+]C1CCC(C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000392918697 357749245 /nfs/dbraw/zinc/74/92/45/357749245.db2.gz ILDZNSUZFHSQRY-UHFFFAOYSA-N 2 0 251.374 0.882 10 0 CCAERP NC(=[NH2+])NCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000584604950 359178934 /nfs/dbraw/zinc/17/89/34/359178934.db2.gz OIJPZWMPGBCROG-UHFFFAOYSA-N 2 0 275.400 0.330 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000333544222 291191320 /nfs/dbraw/zinc/19/13/20/291191320.db2.gz JOYFJYLHJGSEBW-FVCCEPFGSA-N 2 0 253.390 0.818 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638071352 374621466 /nfs/dbraw/zinc/62/14/66/374621466.db2.gz 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JFESKUDHTZKLEP-NEPJUHHUSA-N 2 0 284.404 0.256 10 0 CCAERP CCC(CC)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCCC1 ZINC000262424898 535144542 /nfs/dbraw/zinc/14/45/42/535144542.db2.gz RADLMWUITLMJAJ-ZNMIVQPWSA-N 2 0 297.443 0.726 10 0 CCAERP OCCC[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000310558900 623347305 /nfs/dbraw/zinc/34/73/05/623347305.db2.gz JFEJSPYRTYYCPG-KBPBESRZSA-N 2 0 256.390 0.680 10 0 CCAERP O[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000310559526 623348663 /nfs/dbraw/zinc/34/86/63/623348663.db2.gz RFTUQQDYDGPQDI-KBPBESRZSA-N 2 0 253.390 0.223 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052809695 623487094 /nfs/dbraw/zinc/48/70/94/623487094.db2.gz OLFCJOZQIMTSGP-KBPBESRZSA-N 2 0 279.384 0.769 10 0 CCAERP COC(=O)[C@]12C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]1COCC2 ZINC000261820256 631631803 /nfs/dbraw/zinc/63/18/03/631631803.db2.gz QKLRSXLPUIIBIR-KCQAQPDRSA-N 2 0 282.384 0.498 10 0 CCAERP [NH3+]CCCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000110371399 643922416 /nfs/dbraw/zinc/92/24/16/643922416.db2.gz ILUYLDJOZAPKRT-CQSZACIVSA-N 2 0 255.406 0.912 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000261934267 137026769 /nfs/dbraw/zinc/02/67/69/137026769.db2.gz CCOXCIFUSAFJKM-YNEHKIRRSA-N 2 0 253.390 0.867 10 0 CCAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000037005054 348177815 /nfs/dbraw/zinc/17/78/15/348177815.db2.gz FOFDLKJBQPMFOM-OLZOCXBDSA-N 2 0 269.389 0.090 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000040803700 348241699 /nfs/dbraw/zinc/24/16/99/348241699.db2.gz IFDVAJUIOYLORS-CHWSQXEVSA-N 2 0 283.416 0.744 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054309015 348549757 /nfs/dbraw/zinc/54/97/57/348549757.db2.gz HFTSXYXDUAXLAB-RYUDHWBXSA-N 2 0 251.374 0.729 10 0 CCAERP CC(C)(C(=O)NC1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1 ZINC000129632837 350218652 /nfs/dbraw/zinc/21/86/52/350218652.db2.gz GZPZMNUFDUTTHK-UHFFFAOYSA-N 2 0 294.443 0.413 10 0 CCAERP [NH3+]C[C@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000159319184 350675576 /nfs/dbraw/zinc/67/55/76/350675576.db2.gz YIQVTAHGQAQMGT-UONOGXRCSA-N 2 0 259.353 0.727 10 0 CCAERP Cn1nc2c(cc1=O)CN(CCC[NH+]1CCCC1)CC2 ZINC000163224349 350762442 /nfs/dbraw/zinc/76/24/42/350762442.db2.gz OTZCRXKFZRRHIR-UHFFFAOYSA-N 2 0 276.384 0.624 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCOC)C1 ZINC000171200639 350893546 /nfs/dbraw/zinc/89/35/46/350893546.db2.gz AUJMRRVDSRUFET-ZDUSSCGKSA-N 2 0 286.420 0.348 10 0 CCAERP CCOCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000176024591 351153605 /nfs/dbraw/zinc/15/36/05/351153605.db2.gz MXEMCPNMZJLOJC-AWEZNQCLSA-N 2 0 294.399 0.809 10 0 CCAERP C[NH2+]CCCC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000178727005 351242459 /nfs/dbraw/zinc/24/24/59/351242459.db2.gz JMPVMXDPWBFBKM-ZDUSSCGKSA-N 2 0 283.416 0.698 10 0 CCAERP [NH3+]CCc1nc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cs1 ZINC000194833002 351887251 /nfs/dbraw/zinc/88/72/51/351887251.db2.gz VZACUILSWHNZBC-UHFFFAOYSA-N 2 0 294.424 0.955 10 0 CCAERP CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000226806783 352034722 /nfs/dbraw/zinc/03/47/22/352034722.db2.gz BXMNAERMSBBWFB-KGLIPLIRSA-N 2 0 294.443 0.413 10 0 CCAERP CCN(CCC[NH+](C)C)C(=O)C1(C[NH3+])CCOCC1 ZINC000230705449 352117707 /nfs/dbraw/zinc/11/77/07/352117707.db2.gz HCSHUJQYHKMERI-UHFFFAOYSA-N 2 0 271.405 0.542 10 0 CCAERP O=C([C@H]1COCCN1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000238011304 352294238 /nfs/dbraw/zinc/29/42/38/352294238.db2.gz JCGHNYOZYCPWBM-ZIAGYGMSSA-N 2 0 281.400 0.309 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000250368568 352504413 /nfs/dbraw/zinc/50/44/13/352504413.db2.gz VGLGBLYDXFNCBR-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000253268608 352529694 /nfs/dbraw/zinc/52/96/94/352529694.db2.gz YYODTRBINYCFKK-BRXULGCHSA-N 2 0 295.427 0.681 10 0 CCAERP CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)ncn2)CC1 ZINC000301334057 354076329 /nfs/dbraw/zinc/07/63/29/354076329.db2.gz BLFRZOXEJBEBSR-UHFFFAOYSA-N 2 0 291.399 0.679 10 0 CCAERP CCCN(C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000333705118 283008123 /nfs/dbraw/zinc/00/81/23/283008123.db2.gz RKNFOQQEPJLEJK-CHWSQXEVSA-N 2 0 268.405 0.912 10 0 CCAERP C[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000333632955 354767143 /nfs/dbraw/zinc/76/71/43/354767143.db2.gz GXPCUXGXRNOVLR-AGIUHOORSA-N 2 0 268.405 0.755 10 0 CCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333678382 354775392 /nfs/dbraw/zinc/77/53/92/354775392.db2.gz OKEKKHGYQQKIEY-AGIUHOORSA-N 2 0 266.389 0.664 10 0 CCAERP O=C(NCC1(N2CCOCC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333745184 354787296 /nfs/dbraw/zinc/78/72/96/354787296.db2.gz JITXDGYRVCFSIL-CYBMUJFWSA-N 2 0 296.415 0.293 10 0 CCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333836285 354803577 /nfs/dbraw/zinc/80/35/77/354803577.db2.gz UHOUIGVEOMYNRB-CHWSQXEVSA-N 2 0 280.416 0.912 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000335396603 354995835 /nfs/dbraw/zinc/99/58/35/354995835.db2.gz XXNYFQSSVRAPRC-CYBMUJFWSA-N 2 0 266.389 0.618 10 0 CCAERP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333628618 283589034 /nfs/dbraw/zinc/58/90/34/283589034.db2.gz GEWWCZQQTKJWFW-CHWSQXEVSA-N 2 0 268.405 0.770 10 0 CCAERP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837577 370702570 /nfs/dbraw/zinc/70/25/70/370702570.db2.gz DAPJSJKLAFYKPP-UPJWGTAASA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H]1C[N@H+](CCn2nc3ccccn3c2=O)C[C@@H]1C[NH3+] ZINC000631841653 370707582 /nfs/dbraw/zinc/70/75/82/370707582.db2.gz NMUJTXJRWBENQE-NEPJUHHUSA-N 2 0 275.356 0.023 10 0 CCAERP CC(=O)Nc1ccccc1[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000616602974 365382108 /nfs/dbraw/zinc/38/21/08/365382108.db2.gz DADYVVGXFHGXAF-CQSZACIVSA-N 2 0 262.357 0.550 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc2nnccc2c1 ZINC000616635719 365394762 /nfs/dbraw/zinc/39/47/62/365394762.db2.gz FZENWYRWMGVDOG-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186489882 296110577 /nfs/dbraw/zinc/11/05/77/296110577.db2.gz NFWCNVOPFWLARY-NWDGAFQWSA-N 2 0 251.374 0.729 10 0 CCAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH3+] ZINC000630094218 369952836 /nfs/dbraw/zinc/95/28/36/369952836.db2.gz RYVALQDWQPUFQG-CHWSQXEVSA-N 2 0 265.401 0.916 10 0 CCAERP CC[NH+](CC)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763181 372210282 /nfs/dbraw/zinc/21/02/82/372210282.db2.gz QHKYDSJZDDIJAE-JSGCOSHPSA-N 2 0 253.390 0.834 10 0 CCAERP [NH3+]C[C@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCOC1 ZINC000638109372 374675770 /nfs/dbraw/zinc/67/57/70/374675770.db2.gz ULRMUVAQXUZEGB-GXTWGEPZSA-N 2 0 267.373 0.049 10 0 CCAERP [NH3+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F ZINC000638397163 374992545 /nfs/dbraw/zinc/99/25/45/374992545.db2.gz PLIGAVCWBIERIO-SECBINFHSA-N 2 0 279.306 0.868 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000249742039 285138549 /nfs/dbraw/zinc/13/85/49/285138549.db2.gz JHIYMISTMBDCGE-CHWSQXEVSA-N 2 0 268.405 0.864 10 0 CCAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC(N)=O)C1 ZINC000195286488 389121871 /nfs/dbraw/zinc/12/18/71/389121871.db2.gz ZJRKSJFEUYSPPV-CYBMUJFWSA-N 2 0 262.357 0.321 10 0 CCAERP CC[C@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247390492 389239200 /nfs/dbraw/zinc/23/92/00/389239200.db2.gz XBHBYXXOADRXCI-WCQYABFASA-N 2 0 271.405 0.275 10 0 CCAERP CC[C@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631254 389478666 /nfs/dbraw/zinc/47/86/66/389478666.db2.gz MSHZPXYIVKWPPC-TZMCWYRMSA-N 2 0 286.416 0.963 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOCCO)CC1 ZINC000172624542 389491906 /nfs/dbraw/zinc/49/19/06/389491906.db2.gz LIKWDPQHHIOZMJ-ZDUSSCGKSA-N 2 0 274.405 0.020 10 0 CCAERP CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000335287585 389545818 /nfs/dbraw/zinc/54/58/18/389545818.db2.gz KAUHRDZYPCYFAF-NEPJUHHUSA-N 2 0 252.362 0.226 10 0 CCAERP C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000400349054 389797308 /nfs/dbraw/zinc/79/73/08/389797308.db2.gz JCXIQFZPCLIUAV-OLZOCXBDSA-N 2 0 255.406 0.685 10 0 CCAERP C[NH+](C)[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1cccs1 ZINC000649277571 390545332 /nfs/dbraw/zinc/54/53/32/390545332.db2.gz FNEKGTSGYKRRHZ-NWDGAFQWSA-N 2 0 297.424 0.703 10 0 CCAERP CC(C)C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000649285190 390550218 /nfs/dbraw/zinc/55/02/18/390550218.db2.gz SVMRLKUMKBLHAC-QWHCGFSZSA-N 2 0 271.405 0.315 10 0 CCAERP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000649311326 390569167 /nfs/dbraw/zinc/56/91/67/390569167.db2.gz IAPALSALRDJELC-RYUDHWBXSA-N 2 0 287.354 0.928 10 0 CCAERP CCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649311722 390570848 /nfs/dbraw/zinc/57/08/48/390570848.db2.gz IAHUNPMTTRQLNR-ZDUSSCGKSA-N 2 0 283.416 0.603 10 0 CCAERP COCCC1(C(=O)NCC[N@H+](C)C(C)C)CC[NH2+]CC1 ZINC000649318609 390575319 /nfs/dbraw/zinc/57/53/19/390575319.db2.gz ZJJPRTQCNPPSFF-UHFFFAOYSA-N 2 0 285.432 0.849 10 0 CCAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649318491 390576342 /nfs/dbraw/zinc/57/63/42/390576342.db2.gz PCRILRMCOVZELK-RYUDHWBXSA-N 2 0 257.378 0.069 10 0 CCAERP [NH3+]C1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044726788 411631979 /nfs/dbraw/zinc/63/19/79/411631979.db2.gz INVJOBHFDCNAIJ-MCIGGMRASA-N 2 0 251.374 0.857 10 0 CCAERP CCN1CC[NH+](CCCCN2CC[NH2+]CC2)CC1 ZINC000020270300 171126174 /nfs/dbraw/zinc/12/61/74/171126174.db2.gz HCNQRKXKVSJEFB-UHFFFAOYSA-N 2 0 254.422 0.309 10 0 CCAERP C[C@@H]([NH3+])c1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000021519126 171314814 /nfs/dbraw/zinc/31/48/14/171314814.db2.gz XSWSMGWIBGDPBH-SNVBAGLBSA-N 2 0 271.386 0.546 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653115515 412226287 /nfs/dbraw/zinc/22/62/87/412226287.db2.gz REKYLWFUWRPMEI-GMTAPVOTSA-N 2 0 293.333 0.937 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[N@H+](C)C1CC1 ZINC000653116759 412227113 /nfs/dbraw/zinc/22/71/13/412227113.db2.gz RIEQROQSJNYCOX-FBIMIBRVSA-N 2 0 293.333 0.983 10 0 CCAERP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC[N@@H+]1C ZINC000653119399 412230604 /nfs/dbraw/zinc/23/06/04/412230604.db2.gz IDHHYKVGKDNVSK-UKKRHICBSA-N 2 0 293.333 0.983 10 0 CCAERP CCCC[C@H]([NH3+])C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000037824947 173779234 /nfs/dbraw/zinc/77/92/34/173779234.db2.gz ZUIIVVSUEBYNLT-ZDUSSCGKSA-N 2 0 271.405 0.419 10 0 CCAERP CC(C)(C)OC(=O)NCCN(CCC[NH3+])CCC[NH3+] ZINC000038295152 174138744 /nfs/dbraw/zinc/13/87/44/174138744.db2.gz JNWREYGNBOOQOZ-UHFFFAOYSA-N 2 0 274.409 0.511 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264529 414702802 /nfs/dbraw/zinc/70/28/02/414702802.db2.gz SGJRNJPMOYHUGF-MGPQQGTHSA-N 2 0 265.401 0.676 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662789498 414794196 /nfs/dbraw/zinc/79/41/96/414794196.db2.gz YCZWDABYYXDBHC-LLVKDONJSA-N 2 0 251.374 0.811 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662852424 414841602 /nfs/dbraw/zinc/84/16/02/414841602.db2.gz KENNLPPWQYOYOW-VXGBXAGGSA-N 2 0 269.389 0.211 10 0 CCAERP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CN[C@H]2CC[NH2+]C2)C1 ZINC000665282778 415586162 /nfs/dbraw/zinc/58/61/62/415586162.db2.gz BNHPVEZWMLMIFL-IRXDYDNUSA-N 2 0 288.439 0.754 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000071190512 176066081 /nfs/dbraw/zinc/06/60/81/176066081.db2.gz KSAPPDHGWCPIPA-OLZOCXBDSA-N 2 0 253.390 0.929 10 0 CCAERP CC[C@H](C)[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258228 545882593 /nfs/dbraw/zinc/88/25/93/545882593.db2.gz LMVQBCOMCAXYBG-VIFPVBQESA-N 2 0 251.334 0.354 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000094460102 544544256 /nfs/dbraw/zinc/54/42/56/544544256.db2.gz CAOVLDRCFNHOIS-VXGBXAGGSA-N 2 0 251.374 0.953 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000089457181 544514810 /nfs/dbraw/zinc/51/48/10/544514810.db2.gz ODIFTWNAPUWVAI-UONOGXRCSA-N 2 0 265.401 0.916 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000167997054 544728532 /nfs/dbraw/zinc/72/85/32/544728532.db2.gz NDYLVUWULFIGSE-SYQHCUMBSA-N 2 0 283.416 0.417 10 0 CCAERP C[N@H+](CCN1CC[NH+](CCO)CC1)Cc1ccc(F)cc1 ZINC000173173743 544735797 /nfs/dbraw/zinc/73/57/97/544735797.db2.gz SJQCAVVGCTUELU-UHFFFAOYSA-N 2 0 295.402 0.867 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000249978544 544921165 /nfs/dbraw/zinc/92/11/65/544921165.db2.gz KEULMXKAVVUUQI-RYUDHWBXSA-N 2 0 257.378 0.056 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250645448 544923690 /nfs/dbraw/zinc/92/36/90/544923690.db2.gz JQJGWLRIWRXTBM-AVGNSLFASA-N 2 0 251.374 0.668 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000262094966 544938756 /nfs/dbraw/zinc/93/87/56/544938756.db2.gz HVCULPPTSYPBOZ-RDJZCZTQSA-N 2 0 289.423 0.821 10 0 CCAERP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)[N@H+](C)C1 ZINC000333881898 545044019 /nfs/dbraw/zinc/04/40/19/545044019.db2.gz WIFNJDWYQJEZPB-RFGFWPKPSA-N 2 0 298.431 0.487 10 0 CCAERP CCN(CC)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862060 276316906 /nfs/dbraw/zinc/31/69/06/276316906.db2.gz BGAUNVCXEZMVGX-AWEZNQCLSA-N 2 0 299.459 0.879 10 0 CCAERP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000343710997 288098372 /nfs/dbraw/zinc/09/83/72/288098372.db2.gz KKFTYOZCCJCTTG-MGPQQGTHSA-N 2 0 255.406 0.373 10 0 CCAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000227432968 279203211 /nfs/dbraw/zinc/20/32/11/279203211.db2.gz ITDDRSFSWBKBLJ-DGCLKSJQSA-N 2 0 253.390 0.962 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000334886649 279481006 /nfs/dbraw/zinc/48/10/06/279481006.db2.gz XJOXZFMJJFKWMJ-WCQYABFASA-N 2 0 268.405 0.848 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000333800356 290098807 /nfs/dbraw/zinc/09/88/07/290098807.db2.gz HQCJNOXBEZSLSX-HZSPNIEDSA-N 2 0 298.431 0.225 10 0 CCAERP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1[NH+](C)C ZINC000310939436 297022683 /nfs/dbraw/zinc/02/26/83/297022683.db2.gz KSYAEYYOLIFXIO-MRVWCRGKSA-N 2 0 255.406 0.323 10 0 CCAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000085364034 295336783 /nfs/dbraw/zinc/33/67/83/295336783.db2.gz RQRCEGPZRIEYPW-STQMWFEESA-N 2 0 251.374 0.857 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1([NH3+])CC1 ZINC000398102433 545088852 /nfs/dbraw/zinc/08/88/52/545088852.db2.gz UDUUGLFDSPTXHM-RYUDHWBXSA-N 2 0 251.374 0.953 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000389742354 545087091 /nfs/dbraw/zinc/08/70/91/545087091.db2.gz OFQSVZPEAOSORF-LLVKDONJSA-N 2 0 255.362 0.095 10 0 CCAERP C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1[NH3+] ZINC000333542658 300139084 /nfs/dbraw/zinc/13/90/84/300139084.db2.gz JLHPHIRMORZFGD-WYTNZGFTSA-N 2 0 280.416 0.990 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261672237 303425591 /nfs/dbraw/zinc/42/55/91/303425591.db2.gz CTGVFJVCZIANMK-NFAWXSAZSA-N 2 0 265.401 0.964 10 0 CCAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)C[C@H]12 ZINC000248629113 303473428 /nfs/dbraw/zinc/47/34/28/303473428.db2.gz ORSQHNGXCNEBJU-SOUVJXGZSA-N 2 0 285.391 0.678 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384256576 336123013 /nfs/dbraw/zinc/12/30/13/336123013.db2.gz OLXZQZSNKITPKA-UONOGXRCSA-N 2 0 283.416 0.555 10 0 CCAERP CC[NH+](CC)CCCNS(=O)(=O)CC[NH2+]C(C)C ZINC000049641711 520621792 /nfs/dbraw/zinc/62/17/92/520621792.db2.gz BNVHOODINASJPZ-UHFFFAOYSA-N 2 0 279.450 0.636 10 0 CCAERP CC[NH+](CC)C[C@@H](O)CN[C@@H](C[NH+](C)C)C(C)C ZINC000049204472 520722035 /nfs/dbraw/zinc/72/20/35/520722035.db2.gz AIKFPTPZFOPANA-KBPBESRZSA-N 2 0 259.438 0.865 10 0 CCAERP CC[NH+](CC)C[C@H](O)CN[C@H](C[NH+](C)C)C(C)C ZINC000049204474 520738069 /nfs/dbraw/zinc/73/80/69/520738069.db2.gz AIKFPTPZFOPANA-ZIAGYGMSSA-N 2 0 259.438 0.865 10 0 CCAERP COCC[C@H]([NH3+])C(=O)NCCCC[N@H+](C)C(C)C ZINC000052810337 521941831 /nfs/dbraw/zinc/94/18/31/521941831.db2.gz WLFBCLKANPROIM-LBPRGKRZSA-N 2 0 259.394 0.587 10 0 CCAERP CC[C@@](C)(CO)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654095 523640468 /nfs/dbraw/zinc/64/04/68/523640468.db2.gz TYNDEWKYCQQWQE-CQSZACIVSA-N 2 0 257.422 0.574 10 0 CCAERP C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049646514 524164903 /nfs/dbraw/zinc/16/49/03/524164903.db2.gz WWZRCTJVPSKECA-NEPJUHHUSA-N 2 0 277.434 0.246 10 0 CCAERP NNc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]23)c[nH+]1 ZINC000051116582 527278186 /nfs/dbraw/zinc/27/81/86/527278186.db2.gz YQLSPTWAVGYJKY-WDEREUQCSA-N 2 0 261.329 0.334 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000052791730 623059241 /nfs/dbraw/zinc/05/92/41/623059241.db2.gz HSUUHZHRHJGCKS-NEPJUHHUSA-N 2 0 259.394 0.443 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000262163373 631996001 /nfs/dbraw/zinc/99/60/01/631996001.db2.gz TVCLMTHHYBRRBI-PZWNZHSQSA-N 2 0 274.455 0.536 10 0 CCAERP CC(C)([NH3+])Cc1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000252547240 649828245 /nfs/dbraw/zinc/82/82/45/649828245.db2.gz LHEGENRUUZIQIJ-UWVGGRQHSA-N 2 0 266.345 0.885 10 0 CCAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000091545115 349466434 /nfs/dbraw/zinc/46/64/34/349466434.db2.gz ISFOKWHWBCYASY-ILXRZTDVSA-N 2 0 296.459 0.502 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091542573 349466895 /nfs/dbraw/zinc/46/68/95/349466895.db2.gz VYZWPMVRMZCCOW-CHWSQXEVSA-N 2 0 253.390 0.914 10 0 CCAERP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)[C@H]1CC[NH2+]C1 ZINC000333597911 290023200 /nfs/dbraw/zinc/02/32/00/290023200.db2.gz PYROOBDLGIEFJQ-VTPLQMEGSA-N 2 0 264.373 0.838 10 0 CCAERP O=C1CNC(=O)N1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000103143642 349690919 /nfs/dbraw/zinc/69/09/19/349690919.db2.gz MLDOPVJZHLDKOG-UHFFFAOYSA-N 2 0 294.399 0.346 10 0 CCAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH+](C)C ZINC000116467466 349870873 /nfs/dbraw/zinc/87/08/73/349870873.db2.gz CBEXUXROYNQXOA-ZFWWWQNUSA-N 2 0 290.411 0.970 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000245629719 290114079 /nfs/dbraw/zinc/11/40/79/290114079.db2.gz PTFOEAUUNXVBKC-KKUMJFAQSA-N 2 0 269.433 0.858 10 0 CCAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263121197 137058823 /nfs/dbraw/zinc/05/88/23/137058823.db2.gz AWZRXAQQEPZSHG-SUNKGSAMSA-N 2 0 295.358 0.713 10 0 CCAERP COC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000262315255 137036786 /nfs/dbraw/zinc/03/67/86/137036786.db2.gz DINDGQYCQCOMOL-RDBSUJKOSA-N 2 0 295.358 0.361 10 0 CCAERP COC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262315252 137036947 /nfs/dbraw/zinc/03/69/47/137036947.db2.gz DINDGQYCQCOMOL-IHRRRGAJSA-N 2 0 295.358 0.361 10 0 CCAERP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263291702 137063123 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COCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173913989 351061576 /nfs/dbraw/zinc/06/15/76/351061576.db2.gz GXQHAZDCHQYHBV-ZDUSSCGKSA-N 2 0 286.420 0.300 10 0 CCAERP C[NH+]1CCC(CCNC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188743331 351624915 /nfs/dbraw/zinc/62/49/15/351624915.db2.gz UISJBERRFDDOGZ-UHFFFAOYSA-N 2 0 291.399 0.517 10 0 CCAERP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629251 351837374 /nfs/dbraw/zinc/83/73/74/351837374.db2.gz GBYWVKXKBYODHN-HZSPNIEDSA-N 2 0 256.390 0.513 10 0 CCAERP CC(C)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000227804398 352059218 /nfs/dbraw/zinc/05/92/18/352059218.db2.gz ISFOKWHWBCYASY-ZNMIVQPWSA-N 2 0 296.459 0.502 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000251826899 352511592 /nfs/dbraw/zinc/51/15/92/352511592.db2.gz PGYAESKANASDMX-YPMHNXCESA-N 2 0 251.374 0.824 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1C ZINC000333423788 354758518 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C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765707 372213084 /nfs/dbraw/zinc/21/30/84/372213084.db2.gz AHSOZGRDWPVJDC-OBJOEFQTSA-N 2 0 251.374 0.587 10 0 CCAERP CC[N@H+](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634767484 372215770 /nfs/dbraw/zinc/21/57/70/372215770.db2.gz YKCCSQNBNDYDTK-WFASDCNBSA-N 2 0 265.401 0.977 10 0 CCAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000333311585 205207438 /nfs/dbraw/zinc/20/74/38/205207438.db2.gz RXHVTOBHZABUGQ-RBSFLKMASA-N 2 0 295.427 0.731 10 0 CCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000333466042 205345416 /nfs/dbraw/zinc/34/54/16/205345416.db2.gz ZYDYMUCOPCJMEJ-QWHCGFSZSA-N 2 0 268.405 0.849 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638071211 374621291 /nfs/dbraw/zinc/62/12/91/374621291.db2.gz HGIWKGCCTPVCMF-GRYCIOLGSA-N 2 0 257.378 0.195 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638107776 374673942 /nfs/dbraw/zinc/67/39/42/374673942.db2.gz GPXBOXRFRSUAOK-HIFRSBDPSA-N 2 0 283.416 0.685 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638114976 374680883 /nfs/dbraw/zinc/68/08/83/374680883.db2.gz DNTSAMDYTDRXFW-WCQYABFASA-N 2 0 251.374 0.681 10 0 CCAERP CC(C)n1nnnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574637888 335036031 /nfs/dbraw/zinc/03/60/31/335036031.db2.gz KHYAEPZGDZKODT-TXEJJXNPSA-N 2 0 264.377 0.685 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([NH3+])CC2)C1 ZINC000335285668 208102434 /nfs/dbraw/zinc/10/24/34/208102434.db2.gz QAIOSANUZVTJFO-LBPRGKRZSA-N 2 0 254.378 0.603 10 0 CCAERP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C[NH3+] ZINC000261973019 296375147 /nfs/dbraw/zinc/37/51/47/296375147.db2.gz NFAZESZZQKRXPB-LPWJVIDDSA-N 2 0 253.390 0.947 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246901541 285230747 /nfs/dbraw/zinc/23/07/47/285230747.db2.gz AKBALYQLWPYQGV-KGLIPLIRSA-N 2 0 298.431 0.443 10 0 CCAERP CC(C)[C@](C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000187182665 388870862 /nfs/dbraw/zinc/87/08/62/388870862.db2.gz DYYQJQMGMHEPAQ-GOEBONIOSA-N 2 0 297.443 0.632 10 0 CCAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000333431712 389413042 /nfs/dbraw/zinc/41/30/42/389413042.db2.gz URPNYXRWOILAPP-MJBXVCDLSA-N 2 0 282.432 0.953 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000333544224 389421356 /nfs/dbraw/zinc/42/13/56/389421356.db2.gz JOYFJYLHJGSEBW-UMSGYPCISA-N 2 0 253.390 0.818 10 0 CCAERP C[N@H+](CC1CCS(=O)(=O)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000647912996 390216855 /nfs/dbraw/zinc/21/68/55/390216855.db2.gz WNUDVQDJVYESAX-CYBMUJFWSA-N 2 0 274.430 0.885 10 0 CCAERP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000649327941 390586413 /nfs/dbraw/zinc/58/64/13/390586413.db2.gz RACPQVUNXXUSJX-GHMZBOCLSA-N 2 0 273.327 0.538 10 0 CCAERP CC[NH+](CC)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649275102 390542798 /nfs/dbraw/zinc/54/27/98/390542798.db2.gz AVGVUFXJNLNZCY-CYBMUJFWSA-N 2 0 257.378 0.213 10 0 CCAERP COC[C@]1(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CCC[NH2+]1 ZINC000649285095 390550009 /nfs/dbraw/zinc/55/00/09/390550009.db2.gz CXNPVYKHRGJTSQ-ZFWWWQNUSA-N 2 0 285.432 0.848 10 0 CCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649286084 390551941 /nfs/dbraw/zinc/55/19/41/390551941.db2.gz ROUSBZYAZNPXRA-HIFRSBDPSA-N 2 0 283.416 0.698 10 0 CCAERP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000649302087 390561098 /nfs/dbraw/zinc/56/10/98/390561098.db2.gz UHGLTSXCSADEJQ-KGLIPLIRSA-N 2 0 281.400 0.309 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649335293 390591241 /nfs/dbraw/zinc/59/12/41/390591241.db2.gz QIKBVGDJHMDERL-IJLUTSLNSA-N 2 0 251.374 0.680 10 0 CCAERP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261879477 296586821 /nfs/dbraw/zinc/58/68/21/296586821.db2.gz TYBWKKUAOSWIBF-MLGHIDQZSA-N 2 0 253.390 0.864 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333788425 297102233 /nfs/dbraw/zinc/10/22/33/297102233.db2.gz MCWAFAKUAHQLGP-CYBMUJFWSA-N 2 0 297.447 0.016 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000310775357 411747913 /nfs/dbraw/zinc/74/79/13/411747913.db2.gz ALNFWCZRYUHPKB-CHWSQXEVSA-N 2 0 253.390 0.977 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022176748 171370774 /nfs/dbraw/zinc/37/07/74/171370774.db2.gz BGKZLEPBHKHDHN-CYBMUJFWSA-N 2 0 297.424 0.908 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[NH+](C)C ZINC000653112539 412224052 /nfs/dbraw/zinc/22/40/52/412224052.db2.gz ALBWIOYOUWAPJD-DJLDLDEBSA-N 2 0 267.295 0.451 10 0 CCAERP C[N@H+](CCN1CCOCC1)Cc1ccc(C[NH3+])cc1 ZINC000037757946 173681313 /nfs/dbraw/zinc/68/13/13/173681313.db2.gz RSUYEQFLQZBQRY-UHFFFAOYSA-N 2 0 263.385 0.909 10 0 CCAERP CN(CCC[NH3+])C(=O)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188181 176062798 /nfs/dbraw/zinc/06/27/98/176062798.db2.gz YBTWDHWIUNAKMO-CYBMUJFWSA-N 3 0 270.421 0.067 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CC1CC[NH2+]CC1 ZINC000071189558 176066032 /nfs/dbraw/zinc/06/60/32/176066032.db2.gz GKRLHNBHNBUQMB-CYBMUJFWSA-N 2 0 253.390 0.786 10 0 CCAERP C[NH+](C)CCC[N@@H+]1CC[C@@H](CN2CC[NH2+]CC2)C1 ZINC000071575945 176203166 /nfs/dbraw/zinc/20/31/66/176203166.db2.gz JNLOMOHCXNFITI-CQSZACIVSA-N 3 0 254.422 0.165 10 0 CCAERP CC[C@@H](C)[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258227 545882551 /nfs/dbraw/zinc/88/25/51/545882551.db2.gz LMVQBCOMCAXYBG-SECBINFHSA-N 2 0 251.334 0.354 10 0 CCAERP CC(C)[NH+]1CCN([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264376 545884378 /nfs/dbraw/zinc/88/43/78/545884378.db2.gz JTSYLNQERZQSFV-KGLIPLIRSA-N 2 0 267.417 0.909 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094569930 544545113 /nfs/dbraw/zinc/54/51/13/544545113.db2.gz KUKBAMQQHMWLTK-JTQLQIEISA-N 2 0 251.330 0.952 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089454372 544513363 /nfs/dbraw/zinc/51/33/63/544513363.db2.gz PFQMAKIEJGTLKO-SGMGOOAPSA-N 2 0 265.401 0.962 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250366421 544921917 /nfs/dbraw/zinc/92/19/17/544921917.db2.gz UWWHZTLXSDMCNI-UPJWGTAASA-N 2 0 253.390 0.819 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000250347690 544922352 /nfs/dbraw/zinc/92/23/52/544922352.db2.gz QRZZMLAQNMBMJH-UPJWGTAASA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H]1C[NH2+]CCO1 ZINC000251717173 544927483 /nfs/dbraw/zinc/92/74/83/544927483.db2.gz JSOZUKSUZFQGPG-HZSPNIEDSA-N 2 0 253.390 0.533 10 0 CCAERP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)[C@H]1CC[NH2+]C1 ZINC000333597912 545040622 /nfs/dbraw/zinc/04/06/22/545040622.db2.gz PYROOBDLGIEFJQ-WVWOOGAGSA-N 2 0 264.373 0.838 10 0 CCAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000236655598 277487618 /nfs/dbraw/zinc/48/76/18/277487618.db2.gz BMBWBVJNDODONE-GJZGRUSLSA-N 2 0 297.443 0.931 10 0 CCAERP CC[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000246732018 288257381 /nfs/dbraw/zinc/25/73/81/288257381.db2.gz YKKADAVBEBJOJC-ZFWWWQNUSA-N 2 0 297.443 0.680 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)C[C@@H]12 ZINC000184989896 295320018 /nfs/dbraw/zinc/32/00/18/295320018.db2.gz ORSQHNGXCNEBJU-RBSFLKMASA-N 2 0 285.391 0.678 10 0 CCAERP O=C(C1C[NH2+]C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262264789 295454839 /nfs/dbraw/zinc/45/48/39/295454839.db2.gz RTGVZYSFTXULDO-GFCCVEGCSA-N 2 0 251.374 0.540 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000389523318 545086698 /nfs/dbraw/zinc/08/66/98/545086698.db2.gz AAYSGAJCNBLMHB-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389540350 545086983 /nfs/dbraw/zinc/08/69/83/545086983.db2.gz FQMBZDPBAPSPLH-FRRDWIJNSA-N 2 0 253.390 0.962 10 0 CCAERP CCC[NH2+]C[C@@H]1CCN(CC[N@H+](C)CCOC)C1 ZINC000061379316 519922244 /nfs/dbraw/zinc/92/22/44/519922244.db2.gz GTULSOQDPKKPJI-AWEZNQCLSA-N 2 0 257.422 0.886 10 0 CCAERP CC(C)[NH2+]CCCS(=O)(=O)NCC[NH+]1CCCC1 ZINC000054109008 519721001 /nfs/dbraw/zinc/72/10/01/519721001.db2.gz ZNFYIFQTTGYFHA-UHFFFAOYSA-N 2 0 277.434 0.390 10 0 CCAERP CC[NH2+]CCS(=O)(=O)NCCC[NH+](CC)CC ZINC000049641720 519926289 /nfs/dbraw/zinc/92/62/89/519926289.db2.gz VFEOZJLFHSXIPK-UHFFFAOYSA-N 2 0 265.423 0.247 10 0 CCAERP CCCS(=O)(=O)c1ccccc1N(CC[NH3+])CC[NH3+] ZINC000061806542 520545077 /nfs/dbraw/zinc/54/50/77/520545077.db2.gz BPXDOVOASDQCGN-UHFFFAOYSA-N 2 0 285.413 0.594 10 0 CCAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000061644056 521828362 /nfs/dbraw/zinc/82/83/62/521828362.db2.gz AAUGABKSJARKRG-LBPRGKRZSA-N 2 0 269.389 0.295 10 0 CCAERP C[NH2+]C[C@H]1CC[C@H](C[NH+](CCOC)CCOC)O1 ZINC000052571478 522095933 /nfs/dbraw/zinc/09/59/33/522095933.db2.gz YRRMOKPIYXTVQL-CHWSQXEVSA-N 2 0 260.378 0.348 10 0 CCAERP CC[C@@](C)(C[NH2+]C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653737 523638913 /nfs/dbraw/zinc/63/89/13/523638913.db2.gz LXZRLOJLAHKEKV-HNNXBMFYSA-N 2 0 270.465 0.801 10 0 CCAERP C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)CCCC[NH3+] ZINC000049181480 524593416 /nfs/dbraw/zinc/59/34/16/524593416.db2.gz LIPHAVUQCBKXNC-NSHDSACASA-N 2 0 263.407 0.129 10 0 CCAERP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000157873973 524915307 /nfs/dbraw/zinc/91/53/07/524915307.db2.gz GQJWKDCJRLGSNV-UMSGYPCISA-N 2 0 253.390 0.960 10 0 CCAERP O[C@@H]1CCOC[C@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034420 527675885 /nfs/dbraw/zinc/67/58/85/527675885.db2.gz IYCZPBQSWMNWDP-HUUCEWRRSA-N 2 0 268.401 0.944 10 0 CCAERP COCCN1CC[NH+]([C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675052870 545320422 /nfs/dbraw/zinc/32/04/22/545320422.db2.gz BIRLEOIMWGMBTR-UONOGXRCSA-N 2 0 255.406 0.768 10 0 CCAERP CCC[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675080017 545321419 /nfs/dbraw/zinc/32/14/19/545321419.db2.gz KUHGHDBMVAWLSP-XJFOESAGSA-N 2 0 256.390 0.894 10 0 CCAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000261897478 535762860 /nfs/dbraw/zinc/76/28/60/535762860.db2.gz ABSOIHMGTDHPLV-KKUMJFAQSA-N 2 0 291.395 0.376 10 0 CCAERP CN1CCC([N@H+](C)C2CCN(CC[NH3+])CC2)CC1 ZINC000260164296 570272353 /nfs/dbraw/zinc/27/23/53/570272353.db2.gz RNDQMJSUWAKXPF-UHFFFAOYSA-N 2 0 254.422 0.436 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@H]2CCOC2=O)CC1 ZINC000247074147 649701926 /nfs/dbraw/zinc/70/19/26/649701926.db2.gz XCFDVAKFBLTFCY-HIFRSBDPSA-N 2 0 298.427 0.964 10 0 CCAERP CC[C@H]1CN(C(=O)CCCCC[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000249087877 649740626 /nfs/dbraw/zinc/74/06/26/649740626.db2.gz UETMPBQLPZRBSF-KBPBESRZSA-N 2 0 285.432 0.809 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000094459723 349568477 /nfs/dbraw/zinc/56/84/77/349568477.db2.gz OWVCZPJWSLVTMW-CHWSQXEVSA-N 2 0 281.400 0.450 10 0 CCAERP C[NH+](C)CCc1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000096884482 185120169 /nfs/dbraw/zinc/12/01/69/185120169.db2.gz NSVIBAMHOZNGDU-VIFPVBQESA-N 2 0 256.375 0.421 10 0 CCAERP CCC[C@@](C)([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262509902 137045353 /nfs/dbraw/zinc/04/53/53/137045353.db2.gz BAYZJZMYFIUVKU-DZGCQCFKSA-N 2 0 285.432 0.857 10 0 CCAERP Cn1cnc2cc(CNC[C@@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263180971 137059565 /nfs/dbraw/zinc/05/95/65/137059565.db2.gz GUJDTVZKXCUACW-BXUZGUMPSA-N 2 0 260.341 0.243 10 0 CCAERP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CC[NH+](C)C1 ZINC000310919054 137073132 /nfs/dbraw/zinc/07/31/32/137073132.db2.gz GVBIRJKJMAEACL-GXTWGEPZSA-N 2 0 255.406 0.325 10 0 CCAERP c1ccc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)nc1 ZINC000033982549 348148761 /nfs/dbraw/zinc/14/87/61/348148761.db2.gz ZMOJWEUSGOWQBM-UHFFFAOYSA-N 2 0 291.443 0.446 10 0 CCAERP C[NH2+][C@H](C)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000054075406 348541625 /nfs/dbraw/zinc/54/16/25/348541625.db2.gz JXIGAPYUOQQABQ-GFCCVEGCSA-N 2 0 269.389 0.165 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000054307974 348549328 /nfs/dbraw/zinc/54/93/28/348549328.db2.gz TXLJWMOFVZQARW-QWHCGFSZSA-N 2 0 251.374 0.683 10 0 CCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CCC[NH3+])CC2)C1 ZINC000080749508 349227522 /nfs/dbraw/zinc/22/75/22/349227522.db2.gz VAMIGIAPTJHETK-OAHLLOKOSA-N 2 0 284.448 0.062 10 0 CCAERP C[C@@H](CC[NH+](C)C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131263675 350270221 /nfs/dbraw/zinc/27/02/21/350270221.db2.gz NEGBEILXQLUBRJ-LBPRGKRZSA-N 2 0 270.421 0.127 10 0 CCAERP C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)[NH+]1CCCCCC1 ZINC000175795032 351143586 /nfs/dbraw/zinc/14/35/86/351143586.db2.gz CLPPWQVVWBWLLA-ZIAGYGMSSA-N 2 0 283.416 0.698 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000250641084 352507253 /nfs/dbraw/zinc/50/72/53/352507253.db2.gz TWKYXMIIAPCSGU-YNEHKIRRSA-N 2 0 251.374 0.539 10 0 CCAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000300409205 354064459 /nfs/dbraw/zinc/06/44/59/354064459.db2.gz PDLIMOLZEABOFF-QJPTWQEYSA-N 2 0 257.378 0.210 10 0 CCAERP CCCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC[NH2+]C1 ZINC000261953226 283021324 /nfs/dbraw/zinc/02/13/24/283021324.db2.gz HZDQQTUCNSODNU-FRRDWIJNSA-N 2 0 253.390 0.962 10 0 CCAERP CCc1nnc(CN2CCC([C@@H](C)[NH3+])CC2)n1C ZINC000564454256 291280768 /nfs/dbraw/zinc/28/07/68/291280768.db2.gz QIVGMXKEAKKKRW-SNVBAGLBSA-N 2 0 251.378 0.937 10 0 CCAERP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)C[C@@H]1C[NH3+] ZINC000631844165 370709970 /nfs/dbraw/zinc/70/99/70/370709970.db2.gz VNCWXOURVLAHLW-NEPJUHHUSA-N 2 0 272.352 0.721 10 0 CCAERP O=C(C[NH+]1CCC(C2CC[NH2+]CC2)CC1)N1CCOCC1 ZINC000032500607 283810772 /nfs/dbraw/zinc/81/07/72/283810772.db2.gz HXIXOTQFXPXYQM-UHFFFAOYSA-N 2 0 295.427 0.557 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638079030 374636552 /nfs/dbraw/zinc/63/65/52/374636552.db2.gz JQJHAKMPEZTXBM-OCCSQVGLSA-N 2 0 269.389 0.342 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638110040 374678765 /nfs/dbraw/zinc/67/87/65/374678765.db2.gz ZMUZCSVJVJAKIB-SDDRHHMPSA-N 2 0 255.362 0.045 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000334948261 207340007 /nfs/dbraw/zinc/34/00/07/207340007.db2.gz YZOMIQVOWOLMQO-WCQYABFASA-N 2 0 254.378 0.379 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000185230207 388794026 /nfs/dbraw/zinc/79/40/26/388794026.db2.gz VYCFNGGXOAILPU-CHWSQXEVSA-N 2 0 298.431 0.177 10 0 CCAERP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311064685 389101018 /nfs/dbraw/zinc/10/10/18/389101018.db2.gz KQPVPGIIHLLBQA-JHJVBQTASA-N 2 0 251.374 0.666 10 0 CCAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625817 389214977 /nfs/dbraw/zinc/21/49/77/389214977.db2.gz OYPRYFJTDWXIFC-LSDHHAIUSA-N 2 0 267.417 0.877 10 0 CCAERP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000164274077 389433505 /nfs/dbraw/zinc/43/35/05/389433505.db2.gz BEWKTMCWKFPMTK-LBPRGKRZSA-N 2 0 253.390 0.642 10 0 CCAERP C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000333640942 389437586 /nfs/dbraw/zinc/43/75/86/389437586.db2.gz UJMHOXXRWVYANM-IAQYHMDHSA-N 2 0 273.380 0.794 10 0 CCAERP CN(c1cc(N2CCCC[C@H]2CO)ncn1)C1CC([NH3+])C1 ZINC000333886716 389448320 /nfs/dbraw/zinc/44/83/20/389448320.db2.gz FZEQVJOOHDRTTC-CPCZMJQVSA-N 2 0 291.399 0.754 10 0 CCAERP CC[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000178775032 389622238 /nfs/dbraw/zinc/62/22/38/389622238.db2.gz IFCAZEIARMIWAO-VXGBXAGGSA-N 2 0 271.405 0.417 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000399197067 389789346 /nfs/dbraw/zinc/78/93/46/389789346.db2.gz LWWHDOUNFFDMFT-NWDGAFQWSA-N 2 0 251.374 0.681 10 0 CCAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643774214 390540238 /nfs/dbraw/zinc/54/02/38/390540238.db2.gz QJHARSKXLLOKKO-ZDUSSCGKSA-N 2 0 271.405 0.269 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000649279090 390546350 /nfs/dbraw/zinc/54/63/50/390546350.db2.gz VNXKKYQZZBIPAT-AWEZNQCLSA-N 2 0 269.389 0.356 10 0 CCAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643781800 390547950 /nfs/dbraw/zinc/54/79/50/390547950.db2.gz JZFZADNQGQSFKZ-CQSZACIVSA-N 2 0 285.432 0.803 10 0 CCAERP CC(C)C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000649285191 390550586 /nfs/dbraw/zinc/55/05/86/390550586.db2.gz SVMRLKUMKBLHAC-STQMWFEESA-N 2 0 271.405 0.315 10 0 CCAERP COC[C@]1(C(=O)N[C@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000649293966 390556462 /nfs/dbraw/zinc/55/64/62/390556462.db2.gz UONIJZLJBHYXKS-HIFRSBDPSA-N 2 0 283.416 0.746 10 0 CCAERP COC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000649301344 390560451 /nfs/dbraw/zinc/56/04/51/390560451.db2.gz WBUUQZZHZDDWJK-ZFWWWQNUSA-N 2 0 283.416 0.603 10 0 CCAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649303962 390563596 /nfs/dbraw/zinc/56/35/96/390563596.db2.gz VMHFSHCDALJUNK-RYUDHWBXSA-N 2 0 257.378 0.069 10 0 CCAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649311721 390570410 /nfs/dbraw/zinc/57/04/10/390570410.db2.gz IAHUNPMTTRQLNR-CYBMUJFWSA-N 2 0 283.416 0.603 10 0 CCAERP CN1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000657695931 413050268 /nfs/dbraw/zinc/05/02/68/413050268.db2.gz QKAVVIUAXIDRMD-AVGNSLFASA-N 2 0 251.374 0.681 10 0 CCAERP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000192101351 130370447 /nfs/dbraw/zinc/37/04/47/130370447.db2.gz AZVGDCPAJNFJPZ-FRRDWIJNSA-N 2 0 283.416 0.681 10 0 CCAERP [NH3+][C@H](C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1)c1ccccc1 ZINC000328626374 411759817 /nfs/dbraw/zinc/75/98/17/411759817.db2.gz LQKZVEPVFIKEHQ-OCCSQVGLSA-N 2 0 285.351 1.056 10 0 CCAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC000020303225 171140143 /nfs/dbraw/zinc/14/01/43/171140143.db2.gz PSTRSOWMSLSDNM-RYUDHWBXSA-N 2 0 286.420 0.931 10 0 CCAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCNS(C)(=O)=O)C1 ZINC000037221744 173042490 /nfs/dbraw/zinc/04/24/90/173042490.db2.gz WIQUDLOLLNVAEC-CHWSQXEVSA-N 2 0 291.461 0.636 10 0 CCAERP C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC000665230873 415570476 /nfs/dbraw/zinc/57/04/76/415570476.db2.gz XKXXWZKBOLQANY-NWDGAFQWSA-N 2 0 277.434 0.246 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000071189608 176065930 /nfs/dbraw/zinc/06/59/30/176065930.db2.gz JSGJNLDXQHDESY-TZMCWYRMSA-N 2 0 253.390 0.786 10 0 CCAERP C[N@H+](CCCC[C@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[NH+](C)C1 ZINC000071190887 176069017 /nfs/dbraw/zinc/06/90/17/176069017.db2.gz WFNIXIXLXVWZBK-JSGCOSHPSA-N 2 0 271.405 0.842 10 0 CCAERP CC[NH+]1CCN([C@H](CC[NH3+])C[NH+]2CCCCC2)CC1 ZINC000076705781 177065619 /nfs/dbraw/zinc/06/56/19/177065619.db2.gz IHDKRIWZTPQNMA-OAHLLOKOSA-N 3 0 268.449 0.827 10 0 CCAERP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258547 545881323 /nfs/dbraw/zinc/88/13/23/545881323.db2.gz RYIYEIGMUPDWBM-SNVBAGLBSA-N 2 0 251.334 0.197 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000136396985 544638921 /nfs/dbraw/zinc/63/89/21/544638921.db2.gz BUKOSIKSKFKFPV-ZDUSSCGKSA-N 2 0 253.390 0.914 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250643841 544924239 /nfs/dbraw/zinc/92/42/39/544924239.db2.gz UOYRYBCWYNIUPI-FRRDWIJNSA-N 2 0 253.390 0.819 10 0 CCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261674765 544936816 /nfs/dbraw/zinc/93/68/16/544936816.db2.gz GKAAYRRAGHEKPL-MGPQQGTHSA-N 2 0 283.416 0.588 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000262094964 544939189 /nfs/dbraw/zinc/93/91/89/544939189.db2.gz HVCULPPTSYPBOZ-DOTOQJQBSA-N 2 0 289.423 0.821 10 0 CCAERP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262086839 544939281 /nfs/dbraw/zinc/93/92/81/544939281.db2.gz GEOQUYOUTRRJGL-SCDSUCTJSA-N 2 0 252.333 0.927 10 0 CCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333754023 545042793 /nfs/dbraw/zinc/04/27/93/545042793.db2.gz ALQGOQQGPXCHBL-QWHCGFSZSA-N 2 0 268.405 0.770 10 0 CCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333753994 545042824 /nfs/dbraw/zinc/04/28/24/545042824.db2.gz ALQGOQQGPXCHBL-CHWSQXEVSA-N 2 0 268.405 0.770 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1C ZINC000333898321 278292036 /nfs/dbraw/zinc/29/20/36/278292036.db2.gz ZLFOWHLUXYYOHX-IGQOVBAYSA-N 2 0 298.431 0.223 10 0 CCAERP CC(C)C[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000164401140 279160203 /nfs/dbraw/zinc/16/02/03/279160203.db2.gz SVIDZWMDEKINFE-DGCLKSJQSA-N 2 0 255.406 0.934 10 0 CCAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000334937233 289325223 /nfs/dbraw/zinc/32/52/23/289325223.db2.gz LWLUZYNCSVMUKN-NWDGAFQWSA-N 2 0 254.378 0.474 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000334926538 289383204 /nfs/dbraw/zinc/38/32/04/289383204.db2.gz DGYQOUFWFAOROO-RYUDHWBXSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000333777738 290101106 /nfs/dbraw/zinc/10/11/06/290101106.db2.gz DFAMYEZFXIRXFY-IHRRRGAJSA-N 2 0 298.431 0.225 10 0 CCAERP [NH3+][C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000262022344 295291332 /nfs/dbraw/zinc/29/13/32/295291332.db2.gz OVTKKFGLFQSKOJ-OAHLLOKOSA-N 2 0 295.427 0.827 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000389615543 545086753 /nfs/dbraw/zinc/08/67/53/545086753.db2.gz ZEILJXXODOEVQT-CYBMUJFWSA-N 2 0 282.432 0.271 10 0 CCAERP C[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)C[C@H]1[NH3+] ZINC000334927122 300141338 /nfs/dbraw/zinc/14/13/38/300141338.db2.gz TUWLHXSZRBFOJJ-WDEREUQCSA-N 2 0 254.378 0.637 10 0 CCAERP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1C[NH2+]C1 ZINC000335395113 300704633 /nfs/dbraw/zinc/70/46/33/300704633.db2.gz ITLIICPRGHGMAU-CMPLNLGQSA-N 2 0 252.362 0.226 10 0 CCAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000334186289 303470527 /nfs/dbraw/zinc/47/05/27/303470527.db2.gz FIUFCTNZRZKKAW-VXGBXAGGSA-N 2 0 251.374 0.716 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333696302 303837342 /nfs/dbraw/zinc/83/73/42/303837342.db2.gz QGZSOAQOPFMYJR-YNEHKIRRSA-N 2 0 266.389 0.522 10 0 CCAERP CCO[C@@H]1CCC[N@H+](CCn2cc(C[NH3+])nn2)C1 ZINC000052372231 520320157 /nfs/dbraw/zinc/32/01/57/520320157.db2.gz HUZVJMJOWAFWMF-GFCCVEGCSA-N 2 0 253.350 0.238 10 0 CCAERP C[NH+](C)CCN1CCN(C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000061653811 521764953 /nfs/dbraw/zinc/76/49/53/521764953.db2.gz ZXGRIUPEWJVBLH-HUUCEWRRSA-N 2 0 268.449 0.683 10 0 CCAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000061645154 521860430 /nfs/dbraw/zinc/86/04/30/521860430.db2.gz CXDVFTUEVODIAC-QWHCGFSZSA-N 2 0 253.390 0.929 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)CCCC[NH3+] ZINC000049558148 519342220 /nfs/dbraw/zinc/34/22/20/519342220.db2.gz AQVYORGWKHEXSI-GFCCVEGCSA-N 2 0 279.450 0.621 10 0 CCAERP CC[NH+](CC)CCCNC(=O)CN1CCC[NH2+]CC1 ZINC000061269058 520612486 /nfs/dbraw/zinc/61/24/86/520612486.db2.gz DAEFXOUAWQMNND-UHFFFAOYSA-N 2 0 270.421 0.130 10 0 CCAERP CC[NH+](CC)C[C@H](O)CN[C@@H](C[NH+](C)C)C(C)C ZINC000049204469 520737330 /nfs/dbraw/zinc/73/73/30/520737330.db2.gz AIKFPTPZFOPANA-KGLIPLIRSA-N 2 0 259.438 0.865 10 0 CCAERP C[NH+](C)CC(C)(C)CNS(=O)(=O)C1CC[NH2+]CC1 ZINC000049640713 524046515 /nfs/dbraw/zinc/04/65/15/524046515.db2.gz DUSAPTRATXFEFQ-UHFFFAOYSA-N 2 0 277.434 0.246 10 0 CCAERP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cnn(C)c1 ZINC000151835978 525324103 /nfs/dbraw/zinc/32/41/03/525324103.db2.gz MWHNDLBOULPRBN-LBPRGKRZSA-N 2 0 266.389 0.775 10 0 CCAERP [NH2+]=C1NC2(c3ccccc3)NC(=[NH2+])NC2(c2ccccc2)N1 ZINC000054564412 526839613 /nfs/dbraw/zinc/83/96/13/526839613.db2.gz CXIBQCCDVZISRW-UHFFFAOYSA-N 2 0 292.346 0.948 10 0 CCAERP CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@H]1C1CNC[NH2+]C1 ZINC000669384842 545206387 /nfs/dbraw/zinc/20/63/87/545206387.db2.gz JFESKUDHTZKLEP-RYUDHWBXSA-N 2 0 284.404 0.256 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188738938 535535757 /nfs/dbraw/zinc/53/57/57/535535757.db2.gz SETYIMONKLDBAW-SNVBAGLBSA-N 2 0 277.372 0.270 10 0 CCAERP 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CCAERP C[C@H](CNC(=O)C1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000263303521 137063625 /nfs/dbraw/zinc/06/36/25/137063625.db2.gz NXPYFHXNPAGJIZ-GFCCVEGCSA-N 2 0 261.369 0.843 10 0 CCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)CC1 ZINC000305770371 137070779 /nfs/dbraw/zinc/07/07/79/137070779.db2.gz XQTYRYJTKCXCDW-JSGCOSHPSA-N 2 0 283.416 0.290 10 0 CCAERP CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000040829761 348244263 /nfs/dbraw/zinc/24/42/63/348244263.db2.gz CHOMDTRTXGBPKL-CHWSQXEVSA-N 2 0 269.389 0.354 10 0 CCAERP C[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H]1CCCOC1)C(N)=O ZINC000104189192 185921266 /nfs/dbraw/zinc/92/12/66/185921266.db2.gz PCCDFSBUVGMGAO-JSGCOSHPSA-N 2 0 271.405 0.588 10 0 CCAERP C[C@@H]1C[N@@H+](CCC(=O)NC[C@@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000067804287 348785570 /nfs/dbraw/zinc/78/55/70/348785570.db2.gz XDGXVRHPYKZBLH-MJBXVCDLSA-N 2 0 283.416 0.554 10 0 CCAERP CN1CCN(c2ncnc3ccsc32)[C@H](C[NH3+])C1 ZINC000122824247 350070273 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CC[N@H+](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)C1CC1 ZINC000170836414 350867119 /nfs/dbraw/zinc/86/71/19/350867119.db2.gz NYOGOSDIRBNHTL-ZDUSSCGKSA-N 2 0 268.405 0.816 10 0 CCAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188946154 351641487 /nfs/dbraw/zinc/64/14/87/351641487.db2.gz BYTYGGPIXKIORJ-KXNHARMFSA-N 2 0 257.353 0.531 10 0 CCAERP CCN1CCN(C(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247235823 352405759 /nfs/dbraw/zinc/40/57/59/352405759.db2.gz RSLHVEUQTRUGNQ-CABCVRRESA-N 2 0 294.443 0.319 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247239277 352405788 /nfs/dbraw/zinc/40/57/88/352405788.db2.gz XSCFMUJHPVSMIJ-KGLIPLIRSA-N 2 0 280.416 0.960 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249103115 352478026 /nfs/dbraw/zinc/47/80/26/352478026.db2.gz KPNBWXARDIDUEJ-TUAOUCFPSA-N 2 0 251.374 0.857 10 0 CCAERP C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000258311766 352555605 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C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000409424069 358111412 /nfs/dbraw/zinc/11/14/12/358111412.db2.gz BDAGHGRDNSQBCH-SNVBAGLBSA-N 2 0 257.403 0.373 10 0 CCAERP NC(=O)c1c[nH+]ccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573467691 358970961 /nfs/dbraw/zinc/97/09/61/358970961.db2.gz RDNMQBUPPOJMFH-CQSZACIVSA-N 2 0 260.341 0.760 10 0 CCAERP CC(=O)Nc1ccc([C@H]2CN(CC[NH3+])CC[NH2+]2)cc1 ZINC000616656937 365411138 /nfs/dbraw/zinc/41/11/38/365411138.db2.gz VKCWELQBHFQVSE-CQSZACIVSA-N 2 0 262.357 0.550 10 0 CCAERP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC[NH2+]1 ZINC000252769040 291362777 /nfs/dbraw/zinc/36/27/77/291362777.db2.gz HHABURYOWDPAAR-KCQAQPDRSA-N 2 0 281.400 0.498 10 0 CCAERP C[C@]1(C[N@@H+]2CC[C@H](N3CCOCC3)C2)CC[NH2+]C1 ZINC000110371504 291380737 /nfs/dbraw/zinc/38/07/37/291380737.db2.gz XIUIIPKTTBDNAN-KBPBESRZSA-N 2 0 253.390 0.393 10 0 CCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000245592775 189919982 /nfs/dbraw/zinc/91/99/82/189919982.db2.gz HJXYYXDYUHZFJS-AEGPPILISA-N 2 0 297.443 0.665 10 0 CCAERP [NH3+]C[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCOC1 ZINC000638109373 374675310 /nfs/dbraw/zinc/67/53/10/374675310.db2.gz ULRMUVAQXUZEGB-JSGCOSHPSA-N 2 0 267.373 0.049 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638109294 374676181 /nfs/dbraw/zinc/67/61/81/374676181.db2.gz TUDLYLFIIQNSTK-VNHYZAJKSA-N 2 0 283.416 0.696 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638114885 374680758 /nfs/dbraw/zinc/68/07/58/374680758.db2.gz CKJPKIRLZAYBGX-BZPMIXESSA-N 2 0 267.373 0.060 10 0 CCAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH3+] ZINC000638331272 374931609 /nfs/dbraw/zinc/93/16/09/374931609.db2.gz JLZNZYYYEYMGEB-NWDGAFQWSA-N 2 0 251.374 0.668 10 0 CCAERP [NH3+]C1(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000361726993 295200963 /nfs/dbraw/zinc/20/09/63/295200963.db2.gz JSWLTEPKJYUUAR-LBPRGKRZSA-N 2 0 251.374 0.955 10 0 CCAERP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000311064686 389100749 /nfs/dbraw/zinc/10/07/49/389100749.db2.gz KQPVPGIIHLLBQA-UPJWGTAASA-N 2 0 251.374 0.666 10 0 CCAERP CC[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000245564289 389213245 /nfs/dbraw/zinc/21/32/45/389213245.db2.gz WGFQBPBHBIOOQJ-AAEUAGOBSA-N 2 0 269.389 0.042 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000132283280 389222847 /nfs/dbraw/zinc/22/28/47/389222847.db2.gz VROKIYUOFMPWLD-LSDHHAIUSA-N 2 0 269.433 0.859 10 0 CCAERP COc1c(C[NH+]2CCC(C[NH3+])CC2)c(C)nn1C ZINC000158492358 389343410 /nfs/dbraw/zinc/34/34/10/389343410.db2.gz KMMNJNJWQINRFQ-UHFFFAOYSA-N 2 0 252.362 0.908 10 0 CCAERP [NH3+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262253954 389283656 /nfs/dbraw/zinc/28/36/56/389283656.db2.gz SUSGNLAXTDYFOO-SGMGOOAPSA-N 2 0 251.374 0.573 10 0 CCAERP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000365706636 389285812 /nfs/dbraw/zinc/28/58/12/389285812.db2.gz FLZPPQJWNGBMEC-KBPBESRZSA-N 2 0 283.416 0.827 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000334345764 389469135 /nfs/dbraw/zinc/46/91/35/389469135.db2.gz VGXYKYMETCCARR-OLZOCXBDSA-N 2 0 266.389 0.570 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000334885796 389507912 /nfs/dbraw/zinc/50/79/12/389507912.db2.gz VHSCUTOCVMCMLX-DGCLKSJQSA-N 2 0 268.405 0.990 10 0 CCAERP O[C@@]1(CN[C@H]2CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000422980756 389516269 /nfs/dbraw/zinc/51/62/69/389516269.db2.gz QXLUGGHCXWXGBX-JKSUJKDBSA-N 2 0 275.396 0.575 10 0 CCAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1C[NH2+]C1 ZINC000335378888 389551626 /nfs/dbraw/zinc/55/16/26/389551626.db2.gz QBQKLVYEGPXJHK-NEPJUHHUSA-N 2 0 252.362 0.226 10 0 CCAERP COCCC1(C(=O)NC2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC000647727169 390147429 /nfs/dbraw/zinc/14/74/29/390147429.db2.gz OHAPEARQLXFULB-UHFFFAOYSA-N 2 0 283.416 0.779 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649277320 390545257 /nfs/dbraw/zinc/54/52/57/390545257.db2.gz UUJUQYWDBGHOEK-OCCSQVGLSA-N 2 0 269.389 0.356 10 0 CCAERP COC[C@]1(C(=O)NCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000649282164 390548529 /nfs/dbraw/zinc/54/85/29/390548529.db2.gz KVSVCMZJLSJOIS-AWEZNQCLSA-N 2 0 269.389 0.357 10 0 CCAERP CC(C)C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000649285188 390550849 /nfs/dbraw/zinc/55/08/49/390550849.db2.gz SVMRLKUMKBLHAC-CHWSQXEVSA-N 2 0 271.405 0.315 10 0 CCAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649303049 390562993 /nfs/dbraw/zinc/56/29/93/390562993.db2.gz QGDOKFURQTYNKM-CYBMUJFWSA-N 2 0 283.416 0.555 10 0 CCAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649318450 390576397 /nfs/dbraw/zinc/57/63/97/390576397.db2.gz LRPVDSOXDSEEIT-GXTWGEPZSA-N 2 0 271.405 0.602 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000646533847 390691051 /nfs/dbraw/zinc/69/10/51/390691051.db2.gz IFBFBBYNMYBMDE-AVGNSLFASA-N 2 0 253.390 0.785 10 0 CCAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000300409067 411743168 /nfs/dbraw/zinc/74/31/68/411743168.db2.gz ITDDRSFSWBKBLJ-WCQYABFASA-N 2 0 253.390 0.962 10 0 CCAERP C[N@@H+]1CCCN([C@@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC000020442327 171205022 /nfs/dbraw/zinc/20/50/22/171205022.db2.gz YMWPKDYDHPBGEO-AWEZNQCLSA-N 2 0 252.406 0.047 10 0 CCAERP [NH3+]C1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653046550 412199866 /nfs/dbraw/zinc/19/98/66/412199866.db2.gz DUTRGYUHPUCJJE-YDYPAMBWSA-N 2 0 279.306 0.770 10 0 CCAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653115516 412226010 /nfs/dbraw/zinc/22/60/10/412226010.db2.gz REKYLWFUWRPMEI-HBNTYKKESA-N 2 0 293.333 0.937 10 0 CCAERP O=C(C[NH2+]C1CCCC1)N[C@H]1C[NH+]2CCC1CC2 ZINC000037394967 173175387 /nfs/dbraw/zinc/17/53/87/173175387.db2.gz DERCHRPCKGAHLA-ZDUSSCGKSA-N 2 0 251.374 0.729 10 0 CCAERP C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000038083214 174092744 /nfs/dbraw/zinc/09/27/44/174092744.db2.gz ZBQNOCWRKVDNBY-NWDGAFQWSA-N 2 0 274.430 0.741 10 0 CCAERP O[C@@]1(C[NH2+]CCN2CCCc3ccccc32)CC[NH2+]C1 ZINC000077338195 177253879 /nfs/dbraw/zinc/25/38/79/177253879.db2.gz RYYZQEQDQMRQDJ-INIZCTEOSA-N 2 0 275.396 0.753 10 0 CCAERP CC[C@@]([NH3+])(CNc1ccnn1C1C[NH2+]C1)COC ZINC000725258662 545882256 /nfs/dbraw/zinc/88/22/56/545882256.db2.gz WLWUEIPOKUXJDM-GFCCVEGCSA-N 2 0 253.350 0.193 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000089457186 544515004 /nfs/dbraw/zinc/51/50/04/544515004.db2.gz ODIFTWNAPUWVAI-KBPBESRZSA-N 2 0 265.401 0.916 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111247281 544562274 /nfs/dbraw/zinc/56/22/74/544562274.db2.gz SXFDPAGJRDFCPG-ONGXEEELSA-N 2 0 279.306 0.691 10 0 CCAERP [NH3+][C@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000333941817 545044467 /nfs/dbraw/zinc/04/44/67/545044467.db2.gz PJWSCOUAEDMYNQ-ZDUSSCGKSA-N 2 0 280.416 0.994 10 0 CCAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000236656651 277487615 /nfs/dbraw/zinc/48/76/15/277487615.db2.gz BMBWBVJNDODONE-CABCVRRESA-N 2 0 297.443 0.931 10 0 CCAERP [NH3+]C[C@H](NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C1CCCC1 ZINC000333656944 295263310 /nfs/dbraw/zinc/26/33/10/295263310.db2.gz KVLWKHIYPZOXPJ-RDBSUJKOSA-N 2 0 280.416 0.755 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000333652445 297544779 /nfs/dbraw/zinc/54/47/79/297544779.db2.gz KAIFPVFJHZQVIL-RWMBFGLXSA-N 2 0 268.405 0.910 10 0 CCAERP CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H](N2CC[NH2+]CC2)C1 ZINC000536961303 330384380 /nfs/dbraw/zinc/38/43/80/330384380.db2.gz YZIPTYWWQUNRHL-NEPJUHHUSA-N 2 0 269.389 0.211 10 0 CCAERP CC(C)[NH2+][C@H](CCN(C)C1CC[NH+](C)CC1)C(N)=O ZINC000062443206 519738107 /nfs/dbraw/zinc/73/81/07/519738107.db2.gz FJHHYUKRFAHDCJ-CYBMUJFWSA-N 2 0 270.421 0.254 10 0 CCAERP CC(C)[NH2+]CC1(C[NH+](CCO)CCO)CCOCC1 ZINC000052182212 519719680 /nfs/dbraw/zinc/71/96/80/519719680.db2.gz XFFXXSBSKAASNY-UHFFFAOYSA-N 2 0 274.405 0.068 10 0 CCAERP CC[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000061236928 519935225 /nfs/dbraw/zinc/93/52/25/519935225.db2.gz LISZEKYXMALWGL-GFCCVEGCSA-N 2 0 253.390 0.786 10 0 CCAERP CC[NH+](CC)CCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC000049641719 520622721 /nfs/dbraw/zinc/62/27/21/520622721.db2.gz PFQSXGQAVHEKJH-UHFFFAOYSA-N 2 0 277.434 0.390 10 0 CCAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+](CCOC)CCOC)O1 ZINC000052571480 522092815 /nfs/dbraw/zinc/09/28/15/522092815.db2.gz YRRMOKPIYXTVQL-OLZOCXBDSA-N 2 0 260.378 0.348 10 0 CCAERP CC[C@@H](C)[NH2+]C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655319 522229018 /nfs/dbraw/zinc/22/90/18/522229018.db2.gz UXVWASHABJICBI-HUUCEWRRSA-N 2 0 270.465 0.942 10 0 CCAERP CO[C@@H]1C[NH2+][C@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)C1 ZINC000049220423 523742906 /nfs/dbraw/zinc/74/29/06/523742906.db2.gz AHHNIUSFRAYLCQ-SDDRHHMPSA-N 2 0 257.378 0.066 10 0 CCAERP C[C@H]1CC[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH3+] ZINC000055123532 524334788 /nfs/dbraw/zinc/33/47/88/524334788.db2.gz IMHWSXQZDMIXKO-AHLTXXRQSA-N 2 0 265.401 0.960 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220944 525583802 /nfs/dbraw/zinc/58/38/02/525583802.db2.gz GTTINJJEAPMRDP-QWRGUYRKSA-N 2 0 261.435 0.769 10 0 CCAERP CC(C)C[NH+]1CCN(Cc2c(C[NH3+])cnn2C)CC1 ZINC000675055961 545320605 /nfs/dbraw/zinc/32/06/05/545320605.db2.gz FKOHAHOYBJJYEP-UHFFFAOYSA-N 2 0 265.405 0.652 10 0 CCAERP C[NH+](C)[C@@H](CNC(=O)C1C[NH2+]C1)c1cccc(F)c1 ZINC000263303412 536126160 /nfs/dbraw/zinc/12/61/60/536126160.db2.gz NXBLJJYSLSTETG-ZDUSSCGKSA-N 2 0 265.332 0.764 10 0 CCAERP O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000224885710 581934552 /nfs/dbraw/zinc/93/45/52/581934552.db2.gz JGHWQKNTJMISKK-MJBXVCDLSA-N 2 0 256.390 0.584 10 0 CCAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311240974 625501791 /nfs/dbraw/zinc/50/17/91/625501791.db2.gz ZEKHDMSVEJEQGJ-MJBXVCDLSA-N 2 0 256.390 0.848 10 0 CCAERP C[C@@]1(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000222905285 636885842 /nfs/dbraw/zinc/88/58/42/636885842.db2.gz MWEUOTKTPUWXCS-HUUCEWRRSA-N 2 0 267.417 0.783 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000252571734 638401515 /nfs/dbraw/zinc/40/15/15/638401515.db2.gz BTAFGYIULPTMRS-STQMWFEESA-N 2 0 289.445 0.484 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251638490 649813867 /nfs/dbraw/zinc/81/38/67/649813867.db2.gz FTYIJNCHQKDSJC-UPJWGTAASA-N 2 0 287.429 0.237 10 0 CCAERP C(C[NH+]1CCCC1)N1CCO[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000096054392 185076717 /nfs/dbraw/zinc/07/67/17/185076717.db2.gz KLMXDEAZRJHGKD-CVEARBPZSA-N 2 0 279.428 0.877 10 0 CCAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000335705795 282265964 /nfs/dbraw/zinc/26/59/64/282265964.db2.gz OCJXPPUFSBOAQO-OLZOCXBDSA-N 2 0 268.405 0.816 10 0 CCAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796764 349872826 /nfs/dbraw/zinc/87/28/26/349872826.db2.gz BCAUECRCKDPJNU-GFCCVEGCSA-N 2 0 257.378 0.116 10 0 CCAERP C[N@H+](C[C@H](O)CN1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000310923213 137072971 /nfs/dbraw/zinc/07/29/71/137072971.db2.gz HMYIOFKZJQSJGH-KBPBESRZSA-N 2 0 253.390 0.222 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000040631455 348239494 /nfs/dbraw/zinc/23/94/94/348239494.db2.gz WQNFKUXCXKQCSW-CHWSQXEVSA-N 2 0 269.389 0.356 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2C[NH+](C)C)C1 ZINC000040855360 348245193 /nfs/dbraw/zinc/24/51/93/348245193.db2.gz NARATUWCVPHQLX-HUUCEWRRSA-N 2 0 291.395 0.741 10 0 CCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CCC[NH3+])CC2)C1 ZINC000080749510 349227798 /nfs/dbraw/zinc/22/77/98/349227798.db2.gz VAMIGIAPTJHETK-HNNXBMFYSA-N 2 0 284.448 0.062 10 0 CCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129721568 350221445 /nfs/dbraw/zinc/22/14/45/350221445.db2.gz HRTJAYDBOPYQJM-ZDUSSCGKSA-N 2 0 284.448 0.517 10 0 CCAERP Cc1cc2c(N3CCN(C)C[C@@H]3C[NH3+])nccn2n1 ZINC000129905624 350226118 /nfs/dbraw/zinc/22/61/18/350226118.db2.gz RVEIKWXYMJZHPI-NSHDSACASA-N 2 0 260.345 0.117 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136201764 350417719 /nfs/dbraw/zinc/41/77/19/350417719.db2.gz NLRRQYODFOFEOF-JSGCOSHPSA-N 2 0 253.390 0.977 10 0 CCAERP O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccc2c[nH+]cn2c1 ZINC000168301920 350823599 /nfs/dbraw/zinc/82/35/99/350823599.db2.gz XCNRJOGZXODPOH-ZWKOPEQDSA-N 2 0 256.309 0.815 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167399478 350809480 /nfs/dbraw/zinc/80/94/80/350809480.db2.gz KTMGLEJSTYDNPC-CABCVRRESA-N 2 0 295.427 0.699 10 0 CCAERP C[NH2+]CC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186596994 351504937 /nfs/dbraw/zinc/50/49/37/351504937.db2.gz LXGXJSYBOMJORC-AWEZNQCLSA-N 2 0 276.384 0.772 10 0 CCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000227333119 352045075 /nfs/dbraw/zinc/04/50/75/352045075.db2.gz TWKYXMIIAPCSGU-FRRDWIJNSA-N 2 0 251.374 0.539 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227696498 352057469 /nfs/dbraw/zinc/05/74/69/352057469.db2.gz NLRRQYODFOFEOF-GXTWGEPZSA-N 2 0 253.390 0.977 10 0 CCAERP CCN(CCC[NH+](C)C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000230711050 352118443 /nfs/dbraw/zinc/11/84/43/352118443.db2.gz KHIZAYXKQPJBRW-UHFFFAOYSA-N 2 0 284.448 0.470 10 0 CCAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@@H]([NH+](C)C)C2)C1(C)C ZINC000231677127 352132338 /nfs/dbraw/zinc/13/23/38/352132338.db2.gz NCYGGACAYMEIHQ-JMSVASOKSA-N 2 0 283.416 0.681 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000232662562 352146466 /nfs/dbraw/zinc/14/64/66/352146466.db2.gz DWIFCEIXYKIYQF-JHJVBQTASA-N 2 0 253.390 0.688 10 0 CCAERP C[NH2+]C[C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000237294983 352258820 /nfs/dbraw/zinc/25/88/20/352258820.db2.gz ZHOYHETZQGDYEQ-STQMWFEESA-N 2 0 283.416 0.554 10 0 CCAERP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246412793 352365728 /nfs/dbraw/zinc/36/57/28/352365728.db2.gz LIUVLKLUOPEMAR-KBPBESRZSA-N 2 0 298.431 0.348 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@H]12 ZINC000333653998 354770874 /nfs/dbraw/zinc/77/08/74/354770874.db2.gz KICUCNGFLVSIJA-MROQNXINSA-N 2 0 266.389 0.507 10 0 CCAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824576 354800718 /nfs/dbraw/zinc/80/07/18/354800718.db2.gz RPTYFSZDWUPMKN-MQYQWHSLSA-N 2 0 298.431 0.081 10 0 CCAERP [NH3+][C@H]1CCCN(C(=O)NC[C@H]2CCNCC2(F)F)C1 ZINC000335062556 354954157 /nfs/dbraw/zinc/95/41/57/354954157.db2.gz KJBZMJSRPCEETQ-ZJUUUORDSA-N 2 0 276.331 0.364 10 0 CCAERP C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000261924295 290532331 /nfs/dbraw/zinc/53/23/31/290532331.db2.gz ZFHBMOHRXZHYKW-WCQYABFASA-N 2 0 253.390 0.914 10 0 CCAERP NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000262006742 283358380 /nfs/dbraw/zinc/35/83/80/283358380.db2.gz FCXYTDOWKCQTFL-OAHLLOKOSA-N 2 0 273.380 0.898 10 0 CCAERP CN(CCCCN(C)C(=O)CCC[NH3+])C(=O)CCC[NH3+] ZINC000584600042 359178119 /nfs/dbraw/zinc/17/81/19/359178119.db2.gz FVELRVCLGNUJER-UHFFFAOYSA-N 2 0 286.420 0.161 10 0 CCAERP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837564 370702002 /nfs/dbraw/zinc/70/20/02/370702002.db2.gz DAPJSJKLAFYKPP-AGIUHOORSA-N 2 0 253.390 0.914 10 0 CCAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](C[NH3+])CC1 ZINC000616666445 365418343 /nfs/dbraw/zinc/41/83/43/365418343.db2.gz SGURPLYWFYYEMC-LLVKDONJSA-N 2 0 273.377 0.561 10 0 CCAERP CC(=O)Nc1ccc([C@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616635703 365395244 /nfs/dbraw/zinc/39/52/44/365395244.db2.gz FKYFKNBSYJLKCP-CQSZACIVSA-N 2 0 262.357 0.550 10 0 CCAERP CO[C@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630369402 370069884 /nfs/dbraw/zinc/06/98/84/370069884.db2.gz AWFVTNLDTQCHOW-TZMCWYRMSA-N 2 0 269.389 0.293 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638072036 374623946 /nfs/dbraw/zinc/62/39/46/374623946.db2.gz OLDVNCAQPQGXBP-GXTWGEPZSA-N 2 0 271.405 0.457 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638072722 374624863 /nfs/dbraw/zinc/62/48/63/374624863.db2.gz VCRRRUCOPATOFG-ZFWWWQNUSA-N 2 0 285.432 0.834 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638107411 374672913 /nfs/dbraw/zinc/67/29/13/374672913.db2.gz FHGUNQHESBVDII-STQMWFEESA-N 2 0 251.374 0.977 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638109987 374678294 /nfs/dbraw/zinc/67/82/94/374678294.db2.gz YSYYPFUCAMWNAG-JSGCOSHPSA-N 2 0 269.389 0.308 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC000248654711 285073235 /nfs/dbraw/zinc/07/32/35/285073235.db2.gz VYCFNGGXOAILPU-STQMWFEESA-N 2 0 298.431 0.177 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449695 285259555 /nfs/dbraw/zinc/25/95/55/285259555.db2.gz QRZZMLAQNMBMJH-JHJVBQTASA-N 2 0 253.390 0.962 10 0 CCAERP CCC(CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000188055302 388911316 /nfs/dbraw/zinc/91/13/16/388911316.db2.gz PUNMOFQJEFXWIC-LSDHHAIUSA-N 2 0 297.443 0.992 10 0 CCAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000188186388 388916916 /nfs/dbraw/zinc/91/69/16/388916916.db2.gz QXHFOIFNHVXPRH-WCQYABFASA-N 2 0 269.364 0.677 10 0 CCAERP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000104788599 389084940 /nfs/dbraw/zinc/08/49/40/389084940.db2.gz LIUVLKLUOPEMAR-UONOGXRCSA-N 2 0 298.431 0.348 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)O1 ZINC000262030055 389280829 /nfs/dbraw/zinc/28/08/29/389280829.db2.gz PIZGHCKOFYSUQR-MCIONIFRSA-N 2 0 281.400 0.437 10 0 CCAERP Cc1ccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000263347145 389299270 /nfs/dbraw/zinc/29/92/70/389299270.db2.gz ZIXPIIQGYIJHSJ-AWEZNQCLSA-N 2 0 261.369 0.933 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000333640655 389437473 /nfs/dbraw/zinc/43/74/73/389437473.db2.gz IDQVGDPIUYPUHT-UTUOFQBUSA-N 2 0 254.378 0.507 10 0 CCAERP CN(c1cc(N2CCCC[C@@H]2CO)ncn1)C1CC([NH3+])C1 ZINC000333886717 389448423 /nfs/dbraw/zinc/44/84/23/389448423.db2.gz FZEQVJOOHDRTTC-OTTFEQOBSA-N 2 0 291.399 0.754 10 0 CCAERP O[C@]1(CNC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422972815 389513605 /nfs/dbraw/zinc/51/36/05/389513605.db2.gz AKTAMLSTNVPJKO-KRWDZBQOSA-N 2 0 289.423 0.965 10 0 CCAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000336391068 389635173 /nfs/dbraw/zinc/63/51/73/389635173.db2.gz RPDWCGNSYPKLPG-GXTWGEPZSA-N 2 0 278.400 0.713 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649328384 390586384 /nfs/dbraw/zinc/58/63/84/390586384.db2.gz UYPIRBNIXNSZGH-HIFRSBDPSA-N 2 0 283.416 0.698 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649277319 390546056 /nfs/dbraw/zinc/54/60/56/390546056.db2.gz UUJUQYWDBGHOEK-JSGCOSHPSA-N 2 0 269.389 0.356 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649298056 390557286 /nfs/dbraw/zinc/55/72/86/390557286.db2.gz NDJHTNVYMLAUNQ-TZMCWYRMSA-N 2 0 269.389 0.213 10 0 CCAERP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000649303324 390562838 /nfs/dbraw/zinc/56/28/38/390562838.db2.gz SZJPTRSSMHNHDS-KBPBESRZSA-N 2 0 283.416 0.461 10 0 CCAERP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000367688341 285383249 /nfs/dbraw/zinc/38/32/49/285383249.db2.gz MXBQUJQVSWABBR-STQMWFEESA-N 2 0 269.389 0.437 10 0 CCAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649347905 390600741 /nfs/dbraw/zinc/60/07/41/390600741.db2.gz NFJHULVWLQPLIB-MCIONIFRSA-N 2 0 281.400 0.308 10 0 CCAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649347906 390600767 /nfs/dbraw/zinc/60/07/67/390600767.db2.gz NFJHULVWLQPLIB-MJBXVCDLSA-N 2 0 281.400 0.308 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578365163 390880054 /nfs/dbraw/zinc/88/00/54/390880054.db2.gz YIXFSTLARDNONW-RVMXOQNASA-N 2 0 251.374 0.809 10 0 CCAERP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261832877 286908567 /nfs/dbraw/zinc/90/85/67/286908567.db2.gz NHJVHIWGDCIARI-OLZOCXBDSA-N 2 0 269.389 0.295 10 0 CCAERP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000653118423 412228140 /nfs/dbraw/zinc/22/81/40/412228140.db2.gz LJLVDBOIBKQISU-HBNTYKKESA-N 2 0 291.317 0.691 10 0 CCAERP O=C([C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC[NH2+]CC1 ZINC000035738358 172391343 /nfs/dbraw/zinc/39/13/43/172391343.db2.gz UXDXWLQKXJAGDT-FRRDWIJNSA-N 2 0 251.374 0.729 10 0 CCAERP CC(C)[NH+]1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000037236789 173054023 /nfs/dbraw/zinc/05/40/23/173054023.db2.gz GXDAFHPEUXQGSV-UHFFFAOYSA-N 2 0 268.405 0.992 10 0 CCAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000037770616 173703102 /nfs/dbraw/zinc/70/31/02/173703102.db2.gz BHALPJAQWMLHGU-VXGBXAGGSA-N 2 0 269.389 0.088 10 0 CCAERP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccn2ccnc2c1 ZINC000039073314 174162337 /nfs/dbraw/zinc/16/23/37/174162337.db2.gz ONLMJXSVHYOFAJ-UTUOFQBUSA-N 2 0 256.309 0.815 10 0 CCAERP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589752 414731066 /nfs/dbraw/zinc/73/10/66/414731066.db2.gz DCHPPJJBPRIUAR-WDEREUQCSA-N 2 0 257.378 0.197 10 0 CCAERP CC(C)N1CC[NH+](C2CCN(CC[NH3+])CC2)CC1 ZINC000725273934 545889520 /nfs/dbraw/zinc/88/95/20/545889520.db2.gz WLMFBCNIRUFPDH-UHFFFAOYSA-N 2 0 254.422 0.436 10 0 CCAERP C[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000333746633 287541164 /nfs/dbraw/zinc/54/11/64/287541164.db2.gz YLFAHEBDGSVZGW-FRRDWIJNSA-N 2 0 268.405 0.897 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H]1C[NH2+]CCO1 ZINC000094440952 544544471 /nfs/dbraw/zinc/54/44/71/544544471.db2.gz JSOZUKSUZFQGPG-MCIONIFRSA-N 2 0 253.390 0.533 10 0 CCAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ncnn3C2)[C@H](C)C1 ZINC000118957892 276231095 /nfs/dbraw/zinc/23/10/95/276231095.db2.gz DFYHKLFYAICGIS-UPJWGTAASA-N 2 0 263.389 0.913 10 0 CCAERP CC1CC[NH+](CCN2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000153843794 278541604 /nfs/dbraw/zinc/54/16/04/278541604.db2.gz HXCQKAQOJPYQSX-HNNXBMFYSA-N 2 0 269.433 0.981 10 0 CCAERP CCC[C@H]([NH3+])C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000262516104 278937653 /nfs/dbraw/zinc/93/76/53/278937653.db2.gz CSBCSZCMLAMGKY-HBNTYKKESA-N 2 0 259.419 0.618 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])[C@H]2C)CC1 ZINC000334885799 279480898 /nfs/dbraw/zinc/48/08/98/279480898.db2.gz VHSCUTOCVMCMLX-YPMHNXCESA-N 2 0 268.405 0.990 10 0 CCAERP CN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333742648 289087970 /nfs/dbraw/zinc/08/79/70/289087970.db2.gz JBBHCDRMDZXZDU-STQMWFEESA-N 2 0 298.431 0.083 10 0 CCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000262523471 289891462 /nfs/dbraw/zinc/89/14/62/289891462.db2.gz FQGKBACWLZMDSW-ZIAGYGMSSA-N 2 0 265.401 0.929 10 0 CCAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC2C[NH2+]C2)C1 ZINC000335379880 290242601 /nfs/dbraw/zinc/24/26/01/290242601.db2.gz UPWHFPCVERSTJH-PWSUYJOCSA-N 2 0 252.362 0.084 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CSCC[NH2+]3)C[C@@H]12 ZINC000248638988 295320123 /nfs/dbraw/zinc/32/01/23/295320123.db2.gz QXDLYECIZLSDCA-DDHJBXDOSA-N 2 0 269.414 0.277 10 0 CCAERP CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000394041180 329095801 /nfs/dbraw/zinc/09/58/01/329095801.db2.gz FCJIGLUKOCYLKV-IHRRRGAJSA-N 2 0 255.406 0.468 10 0 CCAERP Cc1nc[nH]c1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000379967048 335282477 /nfs/dbraw/zinc/28/24/77/335282477.db2.gz IEVNUHBSTMZWMQ-UHFFFAOYSA-N 2 0 265.361 0.018 10 0 CCAERP CCC[NH2+]Cc1cn(CCOCCC[NH+](C)C)nn1 ZINC000052672483 519961875 /nfs/dbraw/zinc/96/18/75/519961875.db2.gz FIGGKJCMGIUPBR-UHFFFAOYSA-N 2 0 269.393 0.746 10 0 CCAERP C(CN1CCC[NH2+]CC1)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000061275661 518387994 /nfs/dbraw/zinc/38/79/94/518387994.db2.gz RLKDVZUXCOWMGW-CYBMUJFWSA-N 2 0 252.406 0.108 10 0 CCAERP C(CN1CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565572 518389543 /nfs/dbraw/zinc/38/95/43/518389543.db2.gz XSAKMFOJTBOYMU-KBPBESRZSA-N 2 0 253.390 0.535 10 0 CCAERP CC(C)[NH2+]CCCN1CCN(CC[NH+](C)C)CC1 ZINC000061644422 519720450 /nfs/dbraw/zinc/72/04/50/519720450.db2.gz ITBUHTUBSJASKM-UHFFFAOYSA-N 2 0 256.438 0.554 10 0 CCAERP CC(C)[NH2+]C[C@@H](O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978831 519723101 /nfs/dbraw/zinc/72/31/01/519723101.db2.gz VNGHASRYVSXNIG-LSDHHAIUSA-N 2 0 269.433 0.906 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630793 520687372 /nfs/dbraw/zinc/68/73/72/520687372.db2.gz NJDODAZAHWFMOF-GFCCVEGCSA-N 2 0 277.434 0.390 10 0 CCAERP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000050564920 524128070 /nfs/dbraw/zinc/12/80/70/524128070.db2.gz RZZKATCOHRDALC-UPJWGTAASA-N 2 0 253.390 0.927 10 0 CCAERP C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055136302 524347679 /nfs/dbraw/zinc/34/76/79/524347679.db2.gz RIPAFWCVBDTQQN-FVCCEPFGSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@@H](CN1CCOCC1)[NH2+]CCC[NH+]1CCCC1 ZINC000049504532 524629007 /nfs/dbraw/zinc/62/90/07/524629007.db2.gz KQTITWARUSLFJG-AWEZNQCLSA-N 2 0 255.406 0.783 10 0 CCAERP Cc1nccc(N2CCC[N@@H+](C[C@@H](C)C[NH3+])CC2)n1 ZINC000054935425 527344247 /nfs/dbraw/zinc/34/42/47/527344247.db2.gz BCYDALULVOVPJO-LBPRGKRZSA-N 2 0 263.389 0.892 10 0 CCAERP CCC(CC)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+]1CCCC1 ZINC000262424896 535144737 /nfs/dbraw/zinc/14/47/37/535144737.db2.gz RADLMWUITLMJAJ-KKUMJFAQSA-N 2 0 297.443 0.726 10 0 CCAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)ccc1F ZINC000262311630 535989291 /nfs/dbraw/zinc/98/92/91/535989291.db2.gz BLLHFPPNCVHHHT-OCCSQVGLSA-N 2 0 295.358 0.226 10 0 CCAERP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262075429 536024843 /nfs/dbraw/zinc/02/48/43/536024843.db2.gz CADNZXYDKYNDNS-KBPBESRZSA-N 2 0 277.368 0.058 10 0 CCAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](O)(C(N)=O)C1 ZINC000311850547 536357032 /nfs/dbraw/zinc/35/70/32/536357032.db2.gz OOBYGLOJVPDVNF-GXTWGEPZSA-N 2 0 269.389 0.173 10 0 CCAERP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000261543404 631380353 /nfs/dbraw/zinc/38/03/53/631380353.db2.gz HSUMJAFJGPXWDO-JSGCOSHPSA-N 2 0 279.384 0.597 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095087999 349590220 /nfs/dbraw/zinc/59/02/20/349590220.db2.gz YCWLULSIZCNEPM-OBJOEFQTSA-N 2 0 253.390 0.947 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000245629720 290113620 /nfs/dbraw/zinc/11/36/20/290113620.db2.gz PTFOEAUUNXVBKC-QLFBSQMISA-N 2 0 269.433 0.858 10 0 CCAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252551152 137003450 /nfs/dbraw/zinc/00/34/50/137003450.db2.gz PLNVCFGANSMPCK-SRVKXCTJSA-N 2 0 255.362 0.093 10 0 CCAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000045135556 348334586 /nfs/dbraw/zinc/33/45/86/348334586.db2.gz SXKQPCKXDGCYRR-ZDUSSCGKSA-N 2 0 283.416 0.588 10 0 CCAERP COC[C@H](C)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104443450 186004108 /nfs/dbraw/zinc/00/41/08/186004108.db2.gz TYUOTSBPGGLBFV-WDEREUQCSA-N 2 0 257.378 0.197 10 0 CCAERP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129786355 350223101 /nfs/dbraw/zinc/22/31/01/350223101.db2.gz CTDRXWMSLJUSBK-ZDUSSCGKSA-N 2 0 282.432 0.223 10 0 CCAERP CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[NH+](C)C ZINC000162014596 350733824 /nfs/dbraw/zinc/73/38/24/350733824.db2.gz ILHMAHVAUFXMES-KGLIPLIRSA-N 2 0 285.432 0.944 10 0 CCAERP CCC[C@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000184077913 351401470 /nfs/dbraw/zinc/40/14/70/351401470.db2.gz PRSBHUGDQQAHDD-HUUCEWRRSA-N 2 0 298.475 0.859 10 0 CCAERP C[NH+]1CCC(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188743363 351624982 /nfs/dbraw/zinc/62/49/82/351624982.db2.gz BAWZQYXJYCCCEK-NWDGAFQWSA-N 2 0 257.353 0.535 10 0 CCAERP CC(=O)N(CC[NH+]1CCCC1)CC1CC[NH2+]CC1 ZINC000221545769 351978596 /nfs/dbraw/zinc/97/85/96/351978596.db2.gz JSJOCOAYEHWKMY-UHFFFAOYSA-N 2 0 253.390 0.930 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000227333115 352045340 /nfs/dbraw/zinc/04/53/40/352045340.db2.gz TWKYXMIIAPCSGU-JHJVBQTASA-N 2 0 251.374 0.539 10 0 CCAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000376789263 357503944 /nfs/dbraw/zinc/50/39/44/357503944.db2.gz GHBXAYYEJZSNFB-CYBMUJFWSA-N 2 0 287.407 0.893 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)C[NH+](C)CCOC ZINC000380790169 357706878 /nfs/dbraw/zinc/70/68/78/357706878.db2.gz IBOCGHJXEMANHJ-HUUCEWRRSA-N 2 0 287.448 0.342 10 0 CCAERP CN1CC[NH+]([C@@H]2CCC[C@H]2N2CC[NH2+]CC2)CC1 ZINC000409438006 358112855 /nfs/dbraw/zinc/11/28/55/358112855.db2.gz BRBJHMCMJMZUBK-ZIAGYGMSSA-N 2 0 252.406 0.060 10 0 CCAERP COCCC1CCN(Cc2noc(CN)n2)CC1 ZINC000530225967 358383080 /nfs/dbraw/zinc/38/30/80/358383080.db2.gz ZDYUHSYPUXYFJO-UHFFFAOYSA-N 2 0 254.334 0.777 10 0 CCAERP CCc1nnc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1C ZINC000569693896 358785173 /nfs/dbraw/zinc/78/51/73/358785173.db2.gz AJMFRYUBKULODS-QJPTWQEYSA-N 2 0 263.389 0.937 10 0 CCAERP CCN1CC[C@@H]2CN(CCC[NH+](C)C)CCN2C1=O ZINC000584640112 359185095 /nfs/dbraw/zinc/18/50/95/359185095.db2.gz QYLPIHLYZUDPDG-CYBMUJFWSA-N 2 0 268.405 0.770 10 0 CCAERP O=C([C@@H]1CCCN1C1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000038043156 296017769 /nfs/dbraw/zinc/01/77/69/296017769.db2.gz FAVKOZORHLUUMS-AWEZNQCLSA-N 2 0 280.416 0.025 10 0 CCAERP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841383 370707648 /nfs/dbraw/zinc/70/76/48/370707648.db2.gz JZMJHOKDKMBFFB-WOPDTQHZSA-N 2 0 257.378 0.054 10 0 CCAERP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@](C)(C[NH3+])C1 ZINC000630369400 370070154 /nfs/dbraw/zinc/07/01/54/370070154.db2.gz AWFVTNLDTQCHOW-JSGCOSHPSA-N 2 0 269.389 0.293 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638079032 374638060 /nfs/dbraw/zinc/63/80/60/374638060.db2.gz JQJHAKMPEZTXBM-TZMCWYRMSA-N 2 0 269.389 0.342 10 0 CCAERP CC(C)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1=O ZINC000571055518 291787803 /nfs/dbraw/zinc/78/78/03/291787803.db2.gz LEXHFGCYVAMGRX-RWMBFGLXSA-N 2 0 253.390 0.973 10 0 CCAERP CC[C@H]1CN(C(=O)C[NH+](CC)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000246294048 285013602 /nfs/dbraw/zinc/01/36/02/285013602.db2.gz PAGIHLHUWHFRPW-KBPBESRZSA-N 2 0 297.443 0.774 10 0 CCAERP CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000335287588 208106930 /nfs/dbraw/zinc/10/69/30/208106930.db2.gz KAUHRDZYPCYFAF-VXGBXAGGSA-N 2 0 252.362 0.226 10 0 CCAERP COC[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000159786351 285224734 /nfs/dbraw/zinc/22/47/34/285224734.db2.gz CPALNVFLQMUSTJ-GFCCVEGCSA-N 2 0 255.362 0.047 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000335286178 285266919 /nfs/dbraw/zinc/26/69/19/285266919.db2.gz WNSZCEPBQCZODR-ZFWWWQNUSA-N 2 0 280.416 0.866 10 0 CCAERP C(CC[NH2+]C1CC[NH2+]CC1)C[NH2+]C1CC[NH2+]CC1 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251.374 0.953 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000245537111 389212305 /nfs/dbraw/zinc/21/23/05/389212305.db2.gz MBRDCZTYXUTUNO-NSHDSACASA-N 2 0 285.355 0.529 10 0 CCAERP [NH3+]C[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000335180921 389541985 /nfs/dbraw/zinc/54/19/85/389541985.db2.gz MWFZTFYGUZFRDS-NEPJUHHUSA-N 2 0 254.378 0.509 10 0 CCAERP OC1(CN[C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397489646 389778856 /nfs/dbraw/zinc/77/88/56/389778856.db2.gz HFZWBJKUFLBBKF-INIZCTEOSA-N 2 0 289.423 0.965 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000399197064 389789356 /nfs/dbraw/zinc/78/93/56/389789356.db2.gz LWWHDOUNFFDMFT-NEPJUHHUSA-N 2 0 251.374 0.681 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649328336 390585819 /nfs/dbraw/zinc/58/58/19/390585819.db2.gz PLWBZLPMYATRAQ-OLZOCXBDSA-N 2 0 269.389 0.165 10 0 CCAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643774213 390539927 /nfs/dbraw/zinc/53/99/27/390539927.db2.gz QJHARSKXLLOKKO-CYBMUJFWSA-N 2 0 271.405 0.269 10 0 CCAERP COCCC1(C(=O)NC2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000649277580 390545691 /nfs/dbraw/zinc/54/56/91/390545691.db2.gz GSMQKIVLTYZJCS-UHFFFAOYSA-N 2 0 283.416 0.603 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000649279091 390546311 /nfs/dbraw/zinc/54/63/11/390546311.db2.gz VNXKKYQZZBIPAT-CQSZACIVSA-N 2 0 269.389 0.356 10 0 CCAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649280793 390546405 /nfs/dbraw/zinc/54/64/05/390546405.db2.gz MDBBWWBEQZIHPN-KBPBESRZSA-N 2 0 283.416 0.603 10 0 CCAERP COC[C@]1(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CCC[NH2+]1 ZINC000649285093 390550647 /nfs/dbraw/zinc/55/06/47/390550647.db2.gz CXNPVYKHRGJTSQ-HIFRSBDPSA-N 2 0 285.432 0.848 10 0 CCAERP COC[C@]1(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000649299063 390558504 /nfs/dbraw/zinc/55/85/04/390558504.db2.gz WTVRGBVAFFVIJB-HIFRSBDPSA-N 2 0 283.416 0.555 10 0 CCAERP COC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000649304878 390564304 /nfs/dbraw/zinc/56/43/04/390564304.db2.gz KVNMEQZDTPUUJP-HIFRSBDPSA-N 2 0 283.416 0.602 10 0 CCAERP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649308102 390568075 /nfs/dbraw/zinc/56/80/75/390568075.db2.gz KGBMVIRNEYZNCP-FZMZJTMJSA-N 2 0 267.373 0.108 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649335292 390591482 /nfs/dbraw/zinc/59/14/82/390591482.db2.gz QIKBVGDJHMDERL-GRYCIOLGSA-N 2 0 251.374 0.680 10 0 CCAERP COC[C@]1(C(=O)N2CCC[C@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000649318377 390576402 /nfs/dbraw/zinc/57/64/02/390576402.db2.gz CRDATDGRWYHBMQ-JSGCOSHPSA-N 2 0 269.389 0.308 10 0 CCAERP CN1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000657695932 413050072 /nfs/dbraw/zinc/05/00/72/413050072.db2.gz QKAVVIUAXIDRMD-RWMBFGLXSA-N 2 0 251.374 0.681 10 0 CCAERP C[NH+](C)C[C@@H](NC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000040809293 397393936 /nfs/dbraw/zinc/39/39/36/397393936.db2.gz RQKVYMMZRRQQJB-OAHLLOKOSA-N 2 0 290.411 0.311 10 0 CCAERP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1C[NH2+]C1 ZINC000368168815 144210181 /nfs/dbraw/zinc/21/01/81/144210181.db2.gz TVZOYZFXGMYWGC-FICVDOATSA-N 2 0 271.364 0.452 10 0 CCAERP COCCN(C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000386231792 397501562 /nfs/dbraw/zinc/50/15/62/397501562.db2.gz PZCVJCBHJYWHBU-UPJWGTAASA-N 2 0 260.378 0.083 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022217622 171376447 /nfs/dbraw/zinc/37/64/47/171376447.db2.gz LKOZAPOUKJMSKF-ZDUSSCGKSA-N 2 0 297.424 0.908 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662618416 414733172 /nfs/dbraw/zinc/73/31/72/414733172.db2.gz BICUHOSJGFKIIW-IJLUTSLNSA-N 2 0 253.390 0.831 10 0 CCAERP CN(C)CC[N@@H+]1CC[C@@H](CCN2CC[NH2+]CC2)C1 ZINC000077608926 177285609 /nfs/dbraw/zinc/28/56/09/177285609.db2.gz WMWCKJQESDETRF-CQSZACIVSA-N 2 0 254.422 0.165 10 0 CCAERP C[C@H](CC[NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258205 545880135 /nfs/dbraw/zinc/88/01/35/545880135.db2.gz KPAAFXNKRANVBK-SECBINFHSA-N 2 0 251.334 0.341 10 0 CCAERP CCC[C@](C)([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258136 545880056 /nfs/dbraw/zinc/88/00/56/545880056.db2.gz HUWKLDCSTLHESN-LBPRGKRZSA-N 2 0 251.334 0.483 10 0 CCAERP C[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C[NH3+] ZINC000261973025 299825986 /nfs/dbraw/zinc/82/59/86/299825986.db2.gz NFAZESZZQKRXPB-UMSGYPCISA-N 2 0 253.390 0.947 10 0 CCAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000089457184 544514602 /nfs/dbraw/zinc/51/46/02/544514602.db2.gz ODIFTWNAPUWVAI-KGLIPLIRSA-N 2 0 265.401 0.916 10 0 CCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2([NH3+])CCCC2)CC1 ZINC000179857239 544753006 /nfs/dbraw/zinc/75/30/06/544753006.db2.gz SHHQCSXXSQENRU-ZDUSSCGKSA-N 2 0 297.443 0.809 10 0 CCAERP C[NH+](C)CCOCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000234261936 544868272 /nfs/dbraw/zinc/86/82/72/544868272.db2.gz XAIJJJIFLQGTCZ-LBPRGKRZSA-N 2 0 257.378 0.071 10 0 CCAERP CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000251086027 544925523 /nfs/dbraw/zinc/92/55/23/544925523.db2.gz XOYBFKTTXAPBGL-KGLIPLIRSA-N 2 0 294.443 0.413 10 0 CCAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369151 278893307 /nfs/dbraw/zinc/89/33/07/278893307.db2.gz NNAWNJQKEMGOFF-QWHCGFSZSA-N 2 0 253.390 0.914 10 0 CCAERP CCC[C@H]([NH3+])C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000262516101 278937364 /nfs/dbraw/zinc/93/73/64/278937364.db2.gz CSBCSZCMLAMGKY-DCAQKATOSA-N 2 0 259.419 0.618 10 0 CCAERP CC(C)N(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261572156 279322181 /nfs/dbraw/zinc/32/21/81/279322181.db2.gz LMKOEWPQDJDYPD-UHFFFAOYSA-N 2 0 253.390 0.929 10 0 CCAERP O=C(c1[nH]nc2c1C[NH2+]CC2)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000188802547 280156041 /nfs/dbraw/zinc/15/60/41/280156041.db2.gz LLCBRJVOGNJQGU-JTQLQIEISA-N 2 0 289.383 0.412 10 0 CCAERP CC1(C)CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1[NH3+] ZINC000334920396 281180059 /nfs/dbraw/zinc/18/00/59/281180059.db2.gz DWZVFXVNQVWFCZ-DGCLKSJQSA-N 2 0 280.416 0.992 10 0 CCAERP O=C(NC1CC[NH+](C2CCCC2)CC1)C1C[NH2+]C1 ZINC000263317397 295621190 /nfs/dbraw/zinc/62/11/90/295621190.db2.gz QOAIRTVVCZOQKT-UHFFFAOYSA-N 2 0 251.374 0.729 10 0 CCAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1C[NH2+]C1 ZINC000335395117 297717799 /nfs/dbraw/zinc/71/77/99/297717799.db2.gz ITLIICPRGHGMAU-PWSUYJOCSA-N 2 0 252.362 0.226 10 0 CCAERP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1C[NH2+]C1 ZINC000164609252 298145380 /nfs/dbraw/zinc/14/53/80/298145380.db2.gz HRIWOLYRHOPZJQ-HLVVYCRESA-N 2 0 265.401 0.973 10 0 CCAERP C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)C[NH+]1CCCCC1 ZINC000577759388 335397975 /nfs/dbraw/zinc/39/79/75/335397975.db2.gz DPEHQYFYFFHDAV-GJZGRUSLSA-N 2 0 267.417 0.925 10 0 CCAERP CCc1cc(CC)nc(N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000382290092 336085598 /nfs/dbraw/zinc/08/55/98/336085598.db2.gz MDKDQZHSTKCLRV-ZDUSSCGKSA-N 2 0 263.389 0.681 10 0 CCAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)COC)nn1 ZINC000052511684 519961914 /nfs/dbraw/zinc/96/19/14/519961914.db2.gz OSCBAGZYYJDOPY-LBPRGKRZSA-N 2 0 269.393 0.744 10 0 CCAERP CC(C)[NH2+][C@@H](CCN(C)C1CC[NH+](C)CC1)C(N)=O ZINC000062443204 519734480 /nfs/dbraw/zinc/73/44/80/519734480.db2.gz FJHHYUKRFAHDCJ-ZDUSSCGKSA-N 2 0 270.421 0.254 10 0 CCAERP CC[NH2+][C@H](C)CC(=O)N(CCC[NH+](C)C)CCOC ZINC000061272819 520163820 /nfs/dbraw/zinc/16/38/20/520163820.db2.gz DGQLTZATGISURG-CYBMUJFWSA-N 2 0 273.421 0.801 10 0 CCAERP CC[NH2+][C@H](CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061643798 520183856 /nfs/dbraw/zinc/18/38/56/520183856.db2.gz QCYHLOCSCKZBKL-CQSZACIVSA-N 2 0 256.438 0.554 10 0 CCAERP CC[C@@H](C)[NH+]1CCN([C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000055065859 522128174 /nfs/dbraw/zinc/12/81/74/522128174.db2.gz OPDWEMCZYDXKPZ-HZSPNIEDSA-N 2 0 255.406 0.779 10 0 CCAERP CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000616569678 545103090 /nfs/dbraw/zinc/10/30/90/545103090.db2.gz JLPYBCSNTVCVCM-WCQYABFASA-N 2 0 253.390 0.833 10 0 CCAERP C[C@@H](CC[NH2+]C1CC1)N1CCN(CC[NH+](C)C)CC1 ZINC000061655026 524499052 /nfs/dbraw/zinc/49/90/52/524499052.db2.gz XSQCUKRJEWNHMO-AWEZNQCLSA-N 2 0 268.449 0.696 10 0 CCAERP C[C@H]1C[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055136283 524869643 /nfs/dbraw/zinc/86/96/43/524869643.db2.gz WCENWYOSIQNWPH-LOWDOPEQSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000055124324 525088582 /nfs/dbraw/zinc/08/85/82/525088582.db2.gz KIXWBZXPVKLDFZ-AGIUHOORSA-N 2 0 253.390 0.914 10 0 CCAERP [NH3+]CCCN1CC[NH+](CCCn2ccnc2)CC1 ZINC000049327450 527179908 /nfs/dbraw/zinc/17/99/08/527179908.db2.gz VZDIDIPOOATZMP-UHFFFAOYSA-N 2 0 251.378 0.240 10 0 CCAERP COCCN1CC[NH+]([C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675052868 545320345 /nfs/dbraw/zinc/32/03/45/545320345.db2.gz BIRLEOIMWGMBTR-KGLIPLIRSA-N 2 0 255.406 0.768 10 0 CCAERP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000823360514 613954450 /nfs/dbraw/zinc/95/44/50/613954450.db2.gz GVGVVFRSIVRWIX-MCIONIFRSA-N 2 0 297.443 0.869 10 0 CCAERP C[NH+](C)CCc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000096884481 185120443 /nfs/dbraw/zinc/12/04/43/185120443.db2.gz NSVIBAMHOZNGDU-SECBINFHSA-N 2 0 256.375 0.421 10 0 CCAERP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333628621 290684038 /nfs/dbraw/zinc/68/40/38/290684038.db2.gz GEWWCZQQTKJWFW-STQMWFEESA-N 2 0 268.405 0.770 10 0 CCAERP CC(C)(O)CNc1cc(N2CC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000114700902 349837449 /nfs/dbraw/zinc/83/74/49/349837449.db2.gz HLUMDVKTRUIFPO-SNVBAGLBSA-N 2 0 250.346 0.802 10 0 CCAERP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000262418832 137043002 /nfs/dbraw/zinc/04/30/02/137043002.db2.gz ROBYOZRHPJRWPS-TZMCWYRMSA-N 2 0 265.401 0.929 10 0 CCAERP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000262432673 137043343 /nfs/dbraw/zinc/04/33/43/137043343.db2.gz BVDKFQZYYPJBJV-FZMZJTMJSA-N 2 0 295.333 0.746 10 0 CCAERP CC1(C)C[N@H+](CCC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000261751162 137017985 /nfs/dbraw/zinc/01/79/85/137017985.db2.gz QCZROWQJLFGNSL-GFCCVEGCSA-N 2 0 269.389 0.295 10 0 CCAERP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1-n1cncn1 ZINC000263254387 137061902 /nfs/dbraw/zinc/06/19/02/137061902.db2.gz QISWCBONRIDXRH-HIFRSBDPSA-N 2 0 287.367 0.246 10 0 CCAERP C[C@@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)C1CC[NH2+]CC1 ZINC000263312598 137064037 /nfs/dbraw/zinc/06/40/37/137064037.db2.gz YZHNUPAWHRYPIQ-AAEUAGOBSA-N 2 0 293.415 0.824 10 0 CCAERP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC[NH2+]1 ZINC000136206533 350419138 /nfs/dbraw/zinc/41/91/38/350419138.db2.gz HHABURYOWDPAAR-UMVBOHGHSA-N 2 0 281.400 0.498 10 0 CCAERP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000158464913 350659442 /nfs/dbraw/zinc/65/94/42/350659442.db2.gz RDBTYOGCQOKQKN-ZDUSSCGKSA-N 2 0 286.420 0.299 10 0 CCAERP C[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000178889134 351251625 /nfs/dbraw/zinc/25/16/25/351251625.db2.gz WONGHZNDAWKRNB-OCCSQVGLSA-N 2 0 276.384 0.628 10 0 CCAERP CCC[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000180358074 351283300 /nfs/dbraw/zinc/28/33/00/351283300.db2.gz WCXSGWLPYYKXOI-ZDUSSCGKSA-N 2 0 270.421 0.080 10 0 CCAERP O=C(NCCC[NH+]1CCCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188699033 351618218 /nfs/dbraw/zinc/61/82/18/351618218.db2.gz HYIFWNFGAWAHBJ-NWDGAFQWSA-N 2 0 257.353 0.679 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190743445 351733528 /nfs/dbraw/zinc/73/35/28/351733528.db2.gz MEBAAXRVPRMDHU-VXGBXAGGSA-N 2 0 251.374 0.872 10 0 CCAERP COCC[N@@H+]1CCN(CCn2ccnc2)C[C@@H]1C ZINC000122657651 187044531 /nfs/dbraw/zinc/04/45/31/187044531.db2.gz ZEBOQSSFGQVZRQ-ZDUSSCGKSA-N 2 0 252.362 0.536 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)NCC[NH+]1CCSCC1 ZINC000230936972 352122542 /nfs/dbraw/zinc/12/25/42/352122542.db2.gz IAVQCNXEURYJML-GFCCVEGCSA-N 2 0 271.430 0.541 10 0 CCAERP COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000234698466 352166030 /nfs/dbraw/zinc/16/60/30/352166030.db2.gz GGPKRIZGZRTQRO-MJBXVCDLSA-N 2 0 274.405 0.282 10 0 CCAERP CN1CCO[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000246410442 352366054 /nfs/dbraw/zinc/36/60/54/352366054.db2.gz RZPZWTJKORSGEH-RDBSUJKOSA-N 2 0 296.415 0.195 10 0 CCAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[NH+](C)C ZINC000246823004 352385432 /nfs/dbraw/zinc/38/54/32/352385432.db2.gz CBEXUXROYNQXOA-UKRRQHHQSA-N 2 0 290.411 0.970 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000251657122 352510695 /nfs/dbraw/zinc/51/06/95/352510695.db2.gz GRPYBGRGSYWEPZ-KBPBESRZSA-N 2 0 294.443 0.365 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000251633810 352510726 /nfs/dbraw/zinc/51/07/26/352510726.db2.gz FNUQPIUVJCKFIF-MBNYWOFBSA-N 2 0 251.374 0.824 10 0 CCAERP C[NH2+]CC1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333654536 354770928 /nfs/dbraw/zinc/77/09/28/354770928.db2.gz KIWUYRSBEIJDIJ-CYBMUJFWSA-N 2 0 268.405 0.770 10 0 CCAERP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335037019 354943904 /nfs/dbraw/zinc/94/39/04/354943904.db2.gz ZMLVXCUGBUMZNL-ZIAGYGMSSA-N 2 0 265.401 0.927 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000333658656 283068263 /nfs/dbraw/zinc/06/82/63/283068263.db2.gz LEMSJNUYKULFTM-XJFOESAGSA-N 2 0 280.416 0.992 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC000333658652 283068365 /nfs/dbraw/zinc/06/83/65/283068365.db2.gz LEMSJNUYKULFTM-RQJABVFESA-N 2 0 280.416 0.992 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc2ccnnc2c1 ZINC000616635783 365396032 /nfs/dbraw/zinc/39/60/32/365396032.db2.gz MNVBHVWFFZDHEP-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000333399242 205287372 /nfs/dbraw/zinc/28/73/72/205287372.db2.gz PSKCIDBPVRXEMO-UTUOFQBUSA-N 2 0 266.389 0.520 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638079026 374636806 /nfs/dbraw/zinc/63/68/06/374636806.db2.gz JQJHAKMPEZTXBM-GXTWGEPZSA-N 2 0 269.389 0.342 10 0 CCAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000638115838 374683326 /nfs/dbraw/zinc/68/33/26/374683326.db2.gz JPKFNDHOIYYTRK-ABHRYQDASA-N 2 0 281.400 0.449 10 0 CCAERP CCCN(CC[NH+](C)C)C(=O)C1([NH3+])CCOCC1 ZINC000127905688 284746570 /nfs/dbraw/zinc/74/65/70/284746570.db2.gz KIQHNIWRZVYMCO-UHFFFAOYSA-N 2 0 257.378 0.295 10 0 CCAERP O=C(C[C@@H]1CSCC[NH2+]1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186517595 388838379 /nfs/dbraw/zinc/83/83/79/388838379.db2.gz RQFJIFMMEUVQKJ-VXGBXAGGSA-N 2 0 283.441 0.825 10 0 CCAERP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000037826877 388848835 /nfs/dbraw/zinc/84/88/35/388848835.db2.gz SDMQZOZOKKUOQF-LBPRGKRZSA-N 2 0 257.378 0.295 10 0 CCAERP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000037826878 388849162 /nfs/dbraw/zinc/84/91/62/388849162.db2.gz SDMQZOZOKKUOQF-GFCCVEGCSA-N 2 0 257.378 0.295 10 0 CCAERP [NH2+]=C1Nc2nc3ccccc3n2[C@]2(C[NH+]3CCC2CC3)N1 ZINC000072417415 388962575 /nfs/dbraw/zinc/96/25/75/388962575.db2.gz QMOGQTCMVWJIHI-HNNXBMFYSA-N 2 0 282.351 0.964 10 0 CCAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000248955446 389251115 /nfs/dbraw/zinc/25/11/15/389251115.db2.gz BYTYGGPIXKIORJ-NNYUYHANSA-N 2 0 257.353 0.531 10 0 CCAERP CC(=O)NC1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000132627506 389226451 /nfs/dbraw/zinc/22/64/51/389226451.db2.gz IECRRSJXMBQMBX-GPANFISMSA-N 2 0 297.443 0.870 10 0 CCAERP CS[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1[NH+](C)C ZINC000262594122 389289733 /nfs/dbraw/zinc/28/97/33/389289733.db2.gz WAPGYGGWTHQFPI-VWYCJHECSA-N 2 0 259.419 0.474 10 0 CCAERP C[C@H](CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCCCC1 ZINC000333528434 389417880 /nfs/dbraw/zinc/41/78/80/389417880.db2.gz HOKKOAZUJIXZAR-RDBSUJKOSA-N 2 0 298.431 0.225 10 0 CCAERP COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367688333 389346642 /nfs/dbraw/zinc/34/66/42/389346642.db2.gz MXBQUJQVSWABBR-CHWSQXEVSA-N 2 0 269.389 0.437 10 0 CCAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333629279 389437411 /nfs/dbraw/zinc/43/74/11/389437411.db2.gz ARSULURSRGJGPX-WZRBSPASSA-N 2 0 276.388 0.450 10 0 CCAERP CN(C(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000333741540 389442204 /nfs/dbraw/zinc/44/22/04/389442204.db2.gz XQRONHOYRGXOKN-QWHCGFSZSA-N 2 0 268.405 0.912 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000648153783 390315760 /nfs/dbraw/zinc/31/57/60/390315760.db2.gz NIOXRUGKFDDELQ-WCQYABFASA-N 2 0 251.374 0.668 10 0 CCAERP CC[NH+](CC)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649275103 390543601 /nfs/dbraw/zinc/54/36/01/390543601.db2.gz AVGVUFXJNLNZCY-ZDUSSCGKSA-N 2 0 257.378 0.213 10 0 CCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649293788 390554264 /nfs/dbraw/zinc/55/42/64/390554264.db2.gz ISNSPBUONSHPCD-STQMWFEESA-N 2 0 269.389 0.213 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649298965 390559155 /nfs/dbraw/zinc/55/91/55/390559155.db2.gz OMDSBMIEGTUKHQ-QWHCGFSZSA-N 2 0 271.405 0.315 10 0 CCAERP COC[C@]1(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCC[NH2+]1 ZINC000649335218 390591133 /nfs/dbraw/zinc/59/11/33/390591133.db2.gz LYZFSLHVPYGLKJ-NFAWXSAZSA-N 2 0 281.400 0.450 10 0 CCAERP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649308103 390567616 /nfs/dbraw/zinc/56/76/16/390567616.db2.gz KGBMVIRNEYZNCP-RISCZKNCSA-N 2 0 267.373 0.108 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]12 ZINC000567270825 390685790 /nfs/dbraw/zinc/68/57/90/390685790.db2.gz PZRFSMPSUOAFOO-YIYPIFLZSA-N 2 0 254.374 0.851 10 0 CCAERP C[C@@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000261836637 296506194 /nfs/dbraw/zinc/50/61/94/296506194.db2.gz PGNJDTCEIWWLFB-FRRDWIJNSA-N 2 0 253.390 0.962 10 0 CCAERP COCCC[N@H+](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000181010065 292337924 /nfs/dbraw/zinc/33/79/24/292337924.db2.gz OUAZCVKAGRUESD-CQSZACIVSA-N 2 0 271.405 0.603 10 0 CCAERP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062980301 411686551 /nfs/dbraw/zinc/68/65/51/411686551.db2.gz BXFOUXRBRYUDHU-KGLIPLIRSA-N 2 0 253.390 0.393 10 0 CCAERP C[NH+](C)C1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129609397 411720813 /nfs/dbraw/zinc/72/08/13/411720813.db2.gz NDOCPRHZFSIELW-UHFFFAOYSA-N 2 0 282.432 0.223 10 0 CCAERP CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000616570131 411841063 /nfs/dbraw/zinc/84/10/63/411841063.db2.gz MAPPONXIJLKBCH-AAEUAGOBSA-N 2 0 253.390 0.914 10 0 CCAERP C[NH+](C)CCNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189100 171054639 /nfs/dbraw/zinc/05/46/39/171054639.db2.gz NRIFSJHLVYUSGF-UHFFFAOYSA-N 2 0 275.349 0.124 10 0 CCAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCN1CCOCC1)C2 ZINC000020523918 171236560 /nfs/dbraw/zinc/23/65/60/171236560.db2.gz AAXMHEUZQQGHBU-AGUYFDCRSA-N 2 0 253.390 0.533 10 0 CCAERP CCCC[C@@H]([NH3+])C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000037824948 173779894 /nfs/dbraw/zinc/77/98/94/173779894.db2.gz ZUIIVVSUEBYNLT-CYBMUJFWSA-N 2 0 271.405 0.419 10 0 CCAERP C[C@@H](CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+](C)C ZINC000038089270 174102289 /nfs/dbraw/zinc/10/22/89/174102289.db2.gz OCLYQKMKVGAJDK-ZDEQEGDKSA-N 2 0 253.390 0.973 10 0 CCAERP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC2(CCC2)C1 ZINC000662723337 414746714 /nfs/dbraw/zinc/74/67/14/414746714.db2.gz FLTPQYMWXUJDJL-LBPRGKRZSA-N 2 0 263.385 0.955 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000665275813 415588538 /nfs/dbraw/zinc/58/85/38/415588538.db2.gz RWVVSGFAGUKOJU-UHFFFAOYSA-N 2 0 260.403 0.813 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000071189609 176065432 /nfs/dbraw/zinc/06/54/32/176065432.db2.gz JSGJNLDXQHDESY-JSGCOSHPSA-N 2 0 253.390 0.786 10 0 CCAERP C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1C[NH3+] ZINC000261615720 287335102 /nfs/dbraw/zinc/33/51/02/287335102.db2.gz BSQLTLYURVGIPN-KKOKHZNYSA-N 2 0 255.362 0.079 10 0 CCAERP CCC([NH3+])(CC)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258752 545882329 /nfs/dbraw/zinc/88/23/29/545882329.db2.gz ZCWGRMUDMOKRLZ-UHFFFAOYSA-N 2 0 251.334 0.483 10 0 CCAERP C[NH+](C)CC(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263441 545883787 /nfs/dbraw/zinc/88/37/87/545883787.db2.gz HANYALCKWOLUQG-IPYPFGDCSA-N 2 0 265.401 0.929 10 0 CCAERP C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000089749477 544518429 /nfs/dbraw/zinc/51/84/29/544518429.db2.gz JIOSXNKMELROHI-KGLIPLIRSA-N 2 0 253.390 0.393 10 0 CCAERP C[NH+](C)CCOCCNC(=O)C1CCC([NH3+])CC1 ZINC000234259489 544868050 /nfs/dbraw/zinc/86/80/50/544868050.db2.gz HTJRMVSJCHGWAR-UHFFFAOYSA-N 2 0 257.378 0.198 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H]1C[NH2+]CCO1 ZINC000251717181 544927532 /nfs/dbraw/zinc/92/75/32/544927532.db2.gz JSOZUKSUZFQGPG-RDBSUJKOSA-N 2 0 253.390 0.533 10 0 CCAERP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262148420 544941851 /nfs/dbraw/zinc/94/18/51/544941851.db2.gz HOOWPNDDLDTOKU-QWRGUYRKSA-N 2 0 283.397 0.120 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333366379 545039385 /nfs/dbraw/zinc/03/93/85/545039385.db2.gz LVCYTKOLOGNHCW-NQBHXWOUSA-N 2 0 266.389 0.378 10 0 CCAERP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000334805053 279399916 /nfs/dbraw/zinc/39/99/16/279399916.db2.gz REEIOCPFHJRDFG-ZIAGYGMSSA-N 2 0 280.416 0.960 10 0 CCAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175979501 280322244 /nfs/dbraw/zinc/32/22/44/280322244.db2.gz SGGIQISNAMMYAP-CABCVRRESA-N 2 0 297.443 0.942 10 0 CCAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333652749 289779085 /nfs/dbraw/zinc/77/90/85/289779085.db2.gz KBPAZJOKYIHPCW-YNEHKIRRSA-N 2 0 268.405 0.897 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000094459969 297094505 /nfs/dbraw/zinc/09/45/05/297094505.db2.gz ALOZUOLBHBCHHU-LPWJVIDDSA-N 2 0 251.374 0.809 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1([NH3+])CC1 ZINC000398102431 545088856 /nfs/dbraw/zinc/08/88/56/545088856.db2.gz UDUUGLFDSPTXHM-NEPJUHHUSA-N 2 0 251.374 0.953 10 0 CCAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699990 300233716 /nfs/dbraw/zinc/23/37/16/300233716.db2.gz FKOQLQPBKQNJTR-UNJBNNCHSA-N 2 0 265.401 0.960 10 0 CCAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000334926584 300703783 /nfs/dbraw/zinc/70/37/83/300703783.db2.gz RGILFGOKJPQNKZ-WDEREUQCSA-N 2 0 254.378 0.779 10 0 CCAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000334186283 303488784 /nfs/dbraw/zinc/48/87/84/303488784.db2.gz FIUFCTNZRZKKAW-NEPJUHHUSA-N 2 0 251.374 0.716 10 0 CCAERP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCOC)[NH+](C)C ZINC000052809793 521605346 /nfs/dbraw/zinc/60/53/46/521605346.db2.gz PARSDINHDHKNJQ-QWHCGFSZSA-N 2 0 273.421 0.833 10 0 CCAERP C[NH+](C)CCN1CCN(CC2([NH3+])CCCC2)CC1 ZINC000061652516 521764814 /nfs/dbraw/zinc/76/48/14/521764814.db2.gz CTZUCSGLODNIIE-UHFFFAOYSA-N 2 0 254.422 0.437 10 0 CCAERP CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)CC[NH2+]C ZINC000049629970 520637726 /nfs/dbraw/zinc/63/77/26/520637726.db2.gz ZXIDFZBTUPMLOK-LBPRGKRZSA-N 2 0 279.450 0.636 10 0 CCAERP CCC[C@@](C)([NH3+])CN1CCN(CC[NH+](C)C)CC1 ZINC000061652511 520921572 /nfs/dbraw/zinc/92/15/72/520921572.db2.gz NLIKGNGAYSWRKC-CQSZACIVSA-N 2 0 256.438 0.683 10 0 CCAERP C[NH+](C)CCN1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000061643187 521766682 /nfs/dbraw/zinc/76/66/82/521766682.db2.gz RBTSDZLGRPPXAD-CYBMUJFWSA-N 2 0 272.462 0.000 10 0 CCAERP CN(CC[NH2+]C1CCOCC1)C1CC[NH+](C)CC1 ZINC000062767608 522865076 /nfs/dbraw/zinc/86/50/76/522865076.db2.gz CYEGSXJWPMFYTK-UHFFFAOYSA-N 2 0 255.406 0.781 10 0 CCAERP CN(CC[C@H]([NH2+]C1CC1)C(N)=O)[C@H]1CCC[N@H+](C)C1 ZINC000062531732 522935489 /nfs/dbraw/zinc/93/54/89/522935489.db2.gz ICBSOEVMMSZYCH-STQMWFEESA-N 2 0 268.405 0.008 10 0 CCAERP O=C(C[C@@H]1CCCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049570483 527110113 /nfs/dbraw/zinc/11/01/13/527110113.db2.gz CJTQVYFRMBKRER-YNEHKIRRSA-N 2 0 251.374 0.872 10 0 CCAERP O[C@H](C[NH2+]C1CC1)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675080850 545321214 /nfs/dbraw/zinc/32/12/14/545321214.db2.gz WTPNHWAUQMWICP-IGHBBLSQSA-N 2 0 254.374 0.647 10 0 CCAERP COCC[C@@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052809694 623065132 /nfs/dbraw/zinc/06/51/32/623065132.db2.gz OLFCJOZQIMTSGP-ZIAGYGMSSA-N 2 0 279.384 0.769 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250199842 649756915 /nfs/dbraw/zinc/75/69/15/649756915.db2.gz BHPRYTMDUIQSFK-NEPJUHHUSA-N 2 0 275.418 0.142 10 0 CCAERP [NH3+]CCc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000194760038 136948167 /nfs/dbraw/zinc/94/81/67/136948167.db2.gz TYVYEOUDVOMZKK-ULKQDVFKSA-N 2 0 280.397 0.657 10 0 CCAERP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)C1C[NH2+]C1 ZINC000262469188 137043979 /nfs/dbraw/zinc/04/39/79/137043979.db2.gz YDSSFXSUSZAFHJ-ZWNOBZJWSA-N 2 0 271.430 0.395 10 0 CCAERP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262462794 137044104 /nfs/dbraw/zinc/04/41/04/137044104.db2.gz XJWCACMDFBTWHB-WCQYABFASA-N 2 0 253.390 0.962 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000263128127 137058963 /nfs/dbraw/zinc/05/89/63/137058963.db2.gz BLAHNCYJNXUDEC-UKRRQHHQSA-N 2 0 257.337 0.905 10 0 CCAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000261827889 137021746 /nfs/dbraw/zinc/02/17/46/137021746.db2.gz ADDQRBUUYSPQTR-GWCFXTLKSA-N 2 0 278.381 0.604 10 0 CCAERP COc1c(C)cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000263151914 137059354 /nfs/dbraw/zinc/05/93/54/137059354.db2.gz DBZASCDMOZLRLQ-KBPBESRZSA-N 2 0 264.369 0.982 10 0 CCAERP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1-n1cncn1 ZINC000263254390 137061924 /nfs/dbraw/zinc/06/19/24/137061924.db2.gz QISWCBONRIDXRH-ZFWWWQNUSA-N 2 0 287.367 0.246 10 0 CCAERP CC(C)[NH2+]CCCS(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000104171317 185915921 /nfs/dbraw/zinc/91/59/21/185915921.db2.gz UDNPTNVFCFUFBQ-LBPRGKRZSA-N 2 0 277.434 0.340 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291534 348548009 /nfs/dbraw/zinc/54/80/09/348548009.db2.gz CPRXTYZRPPWGKS-QWHCGFSZSA-N 2 0 253.390 0.977 10 0 CCAERP CC(C)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054290925 348548036 /nfs/dbraw/zinc/54/80/36/348548036.db2.gz WWXCEDNMJJBYHJ-ZDUSSCGKSA-N 2 0 253.390 0.929 10 0 CCAERP Cc1nn(C)c(C)c1[C@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000053994322 348538009 /nfs/dbraw/zinc/53/80/09/348538009.db2.gz GYJZSWZWJIOUFO-LBPRGKRZSA-N 2 0 251.378 0.284 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129806326 350223064 /nfs/dbraw/zinc/22/30/64/350223064.db2.gz GRPYBGRGSYWEPZ-ZIAGYGMSSA-N 2 0 294.443 0.365 10 0 CCAERP CCC[C@H](C(=O)NCCCN1CC[NH+](CC)CC1)[NH+](C)C ZINC000161567225 350724671 /nfs/dbraw/zinc/72/46/71/350724671.db2.gz RJPALRNVCMCYPT-OAHLLOKOSA-N 2 0 298.475 0.861 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)C[NH+](C)C)CC2)CCO1 ZINC000171187227 350891320 /nfs/dbraw/zinc/89/13/20/350891320.db2.gz RBWUHDJQXRVYBD-GFCCVEGCSA-N 2 0 269.389 0.260 10 0 CCAERP C[NH2+]C[C@@H](C)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000237165249 352248338 /nfs/dbraw/zinc/24/83/38/352248338.db2.gz ZHOYHETZQGDYEQ-OLZOCXBDSA-N 2 0 283.416 0.554 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000245420634 352321076 /nfs/dbraw/zinc/32/10/76/352321076.db2.gz NASKXFWROHBFCH-KGLIPLIRSA-N 2 0 298.431 0.443 10 0 CCAERP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000248950226 352469003 /nfs/dbraw/zinc/46/90/03/352469003.db2.gz AZVGDCPAJNFJPZ-JHJVBQTASA-N 2 0 283.416 0.681 10 0 CCAERP C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000257178499 352548155 /nfs/dbraw/zinc/54/81/55/352548155.db2.gz GMFJNDABOBWLSJ-LSDHHAIUSA-N 2 0 288.395 0.595 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1C ZINC000333423796 354758506 /nfs/dbraw/zinc/75/85/06/354758506.db2.gz SXFHTUWEOIXUQK-UPJWGTAASA-N 2 0 268.405 0.910 10 0 CCAERP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000363747950 138093029 /nfs/dbraw/zinc/09/30/29/138093029.db2.gz UTGZFTPTSYVYFR-UONOGXRCSA-N 2 0 281.400 0.452 10 0 CCAERP COCC[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040229 357382354 /nfs/dbraw/zinc/38/23/54/357382354.db2.gz QGKRSPNQNLECAW-CQSZACIVSA-N 2 0 283.416 0.699 10 0 CCAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCN[C@@H](CC[NH3+])C1 ZINC000616652046 365409485 /nfs/dbraw/zinc/40/94/85/365409485.db2.gz BILKLVGJZUENPF-NSHDSACASA-N 2 0 272.393 0.134 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@@H](c2cccc3nnccc32)C1 ZINC000616601905 365381326 /nfs/dbraw/zinc/38/13/26/365381326.db2.gz JIFBKAOEKDGELR-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C[NH3+] ZINC000630094221 369953141 /nfs/dbraw/zinc/95/31/41/369953141.db2.gz RYVALQDWQPUFQG-STQMWFEESA-N 2 0 265.401 0.916 10 0 CCAERP C[NH+](C)C(C)(C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762849 372209399 /nfs/dbraw/zinc/20/93/99/372209399.db2.gz IGZUIEKQAVRTTC-FZMZJTMJSA-N 2 0 253.390 0.833 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634764783 372210566 /nfs/dbraw/zinc/21/05/66/372210566.db2.gz BJJXXVWKYFEXNP-YDHLFZDLSA-N 2 0 265.401 0.834 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1C ZINC000261787278 296183260 /nfs/dbraw/zinc/18/32/60/296183260.db2.gz PVOMOXOWJXZTOC-YIYPIFLZSA-N 2 0 283.416 0.417 10 0 CCAERP CC1CC[NH+](CC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000136110510 284884473 /nfs/dbraw/zinc/88/44/73/284884473.db2.gz GTKGLXOONAUHCD-ZDUSSCGKSA-N 2 0 253.390 0.881 10 0 CCAERP CC[C@@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247044252 285041366 /nfs/dbraw/zinc/04/13/66/285041366.db2.gz YDLABRDNUBZQRG-UONOGXRCSA-N 2 0 285.432 0.630 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000335284585 208099362 /nfs/dbraw/zinc/09/93/62/208099362.db2.gz FQSRXCAZESHXLB-UHFFFAOYSA-N 2 0 266.389 0.618 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973028 388940863 /nfs/dbraw/zinc/94/08/63/388940863.db2.gz UIJUINRWHQBTRJ-STQMWFEESA-N 2 0 251.374 0.683 10 0 CCAERP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309682867 389093812 /nfs/dbraw/zinc/09/38/12/389093812.db2.gz BFOFOLXIYWKTFJ-LSDHHAIUSA-N 2 0 291.395 0.598 10 0 CCAERP CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1C[NH+]2CCC1CC2 ZINC000311795628 389105200 /nfs/dbraw/zinc/10/52/00/389105200.db2.gz YYUDYFSGNGDNHX-JSGCOSHPSA-N 2 0 265.401 0.929 10 0 CCAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111684875 389111956 /nfs/dbraw/zinc/11/19/56/389111956.db2.gz UFSOXMRLMGHPOY-HNNXBMFYSA-N 2 0 297.443 0.633 10 0 CCAERP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000219944792 389138293 /nfs/dbraw/zinc/13/82/93/389138293.db2.gz OQGXWJATPHHLKJ-VXGBXAGGSA-N 2 0 253.390 0.975 10 0 CCAERP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000333687021 389440572 /nfs/dbraw/zinc/44/05/72/389440572.db2.gz PJBRQHTYWVBMFZ-KFWWJZLASA-N 2 0 288.395 0.732 10 0 CCAERP C[NH+]1CCC([C@H]2CCN(C(=O)NC3C[NH2+]C3)C2)CC1 ZINC000335378325 389551969 /nfs/dbraw/zinc/55/19/69/389551969.db2.gz LAPKPNPZJBVKTE-LBPRGKRZSA-N 2 0 266.389 0.332 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000399197074 389789373 /nfs/dbraw/zinc/78/93/73/389789373.db2.gz LWWHDOUNFFDMFT-VXGBXAGGSA-N 2 0 251.374 0.681 10 0 CCAERP [NH3+]C1CCC(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000648153834 390315198 /nfs/dbraw/zinc/31/51/98/390315198.db2.gz WJKORAJNKNKRQA-UHFFFAOYSA-N 2 0 251.374 0.811 10 0 CCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649286085 390551886 /nfs/dbraw/zinc/55/18/86/390551886.db2.gz ROUSBZYAZNPXRA-UKRRQHHQSA-N 2 0 283.416 0.698 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649298966 390558677 /nfs/dbraw/zinc/55/86/77/390558677.db2.gz OMDSBMIEGTUKHQ-STQMWFEESA-N 2 0 271.405 0.315 10 0 CCAERP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000649301601 390561452 /nfs/dbraw/zinc/56/14/52/390561452.db2.gz GENHNPLRNXDRPL-YDHLFZDLSA-N 2 0 281.400 0.498 10 0 CCAERP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649305898 390564791 /nfs/dbraw/zinc/56/47/91/390564791.db2.gz LGAWLXREPHLEGL-HNNXBMFYSA-N 2 0 291.395 0.471 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649306055 390565006 /nfs/dbraw/zinc/56/50/06/390565006.db2.gz XTPBWWGYUCSHGV-TZMCWYRMSA-N 2 0 269.389 0.356 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000649305303 390565867 /nfs/dbraw/zinc/56/58/67/390565867.db2.gz LJRWABUURRZKHA-OAHLLOKOSA-N 2 0 283.416 0.603 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000384255341 397495435 /nfs/dbraw/zinc/49/54/35/397495435.db2.gz OCNAAEWJWOQQSN-UONOGXRCSA-N 2 0 282.432 0.128 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000167986903 287088874 /nfs/dbraw/zinc/08/88/74/287088874.db2.gz BXQMQDJSJMJVCY-QWHCGFSZSA-N 2 0 283.416 0.290 10 0 CCAERP C[NH+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616571131 411839955 /nfs/dbraw/zinc/83/99/55/411839955.db2.gz JTGDZABKJAFEPB-HTQZYQBOSA-N 2 0 253.268 0.205 10 0 CCAERP C[NH+](C)CCCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022210646 171373645 /nfs/dbraw/zinc/37/36/45/171373645.db2.gz ZSRAPDJZVXCLHG-UHFFFAOYSA-N 2 0 271.386 0.375 10 0 CCAERP [NH3+]Cc1ccccc1NC(=O)CC[NH+]1CCC(O)CC1 ZINC000022214563 171374991 /nfs/dbraw/zinc/37/49/91/171374991.db2.gz IGVIGPLAXFBHKV-UHFFFAOYSA-N 2 0 277.368 0.931 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264139 414702506 /nfs/dbraw/zinc/70/25/06/414702506.db2.gz RLQZXRCZYZTPQP-KBPBESRZSA-N 2 0 267.417 0.924 10 0 CCAERP C[C@H](CCNC(=O)C(C)(C)N1CC[NH2+]CC1)[NH+](C)C ZINC000662635547 414735800 /nfs/dbraw/zinc/73/58/00/414735800.db2.gz WPOCPLAQEWVHOZ-GFCCVEGCSA-N 2 0 270.421 0.127 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662845078 414836089 /nfs/dbraw/zinc/83/60/89/414836089.db2.gz DGUBDCPMYZFZPQ-STQMWFEESA-N 2 0 283.416 0.459 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000662911051 414886267 /nfs/dbraw/zinc/88/62/67/414886267.db2.gz QTSRXZURMTVLOG-TZMCWYRMSA-N 2 0 269.389 0.356 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)[C@]1(C[NH3+])CN2CCC1CC2 ZINC000071188568 176062647 /nfs/dbraw/zinc/06/26/47/176062647.db2.gz HUZJWCJKUJZUQF-DZGCQCFKSA-N 2 0 266.433 0.293 10 0 CCAERP CCC[NH2+][C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071191053 176067807 /nfs/dbraw/zinc/06/78/07/176067807.db2.gz QZHAEBNFEUBCNG-CHWSQXEVSA-N 2 0 270.421 0.114 10 0 CCAERP [NH3+]C[C@H](O)CN1CC[NH+](CCC2=CCCCC2)CC1 ZINC000071599343 176224033 /nfs/dbraw/zinc/22/40/33/176224033.db2.gz MOMUFHKKWVKHJN-HNNXBMFYSA-N 2 0 267.417 0.814 10 0 CCAERP C[NH2+]CCCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260443 545881485 /nfs/dbraw/zinc/88/14/85/545881485.db2.gz SBYHCNOTODXKKS-UHFFFAOYSA-N 2 0 251.334 0.356 10 0 CCAERP COCCC[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258599 545882077 /nfs/dbraw/zinc/88/20/77/545882077.db2.gz UQNCVKAXTRMAND-SNVBAGLBSA-N 2 0 253.350 0.193 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000094460103 544544065 /nfs/dbraw/zinc/54/40/65/544544065.db2.gz CAOVLDRCFNHOIS-NWDGAFQWSA-N 2 0 251.374 0.953 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000094647897 544544791 /nfs/dbraw/zinc/54/47/91/544544791.db2.gz GVQHRYJNGHIPSR-RWMBFGLXSA-N 2 0 253.390 0.833 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000136426639 544639271 /nfs/dbraw/zinc/63/92/71/544639271.db2.gz BWZPBCUUHPXSFF-CYBMUJFWSA-N 2 0 270.421 0.114 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000252651277 544930356 /nfs/dbraw/zinc/93/03/56/544930356.db2.gz GVQHRYJNGHIPSR-XQQFMLRXSA-N 2 0 253.390 0.833 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000262188829 544942228 /nfs/dbraw/zinc/94/22/28/544942228.db2.gz YAQCJEWZHDVNJO-TZMCWYRMSA-N 2 0 268.401 0.896 10 0 CCAERP CC1CC[NH+](CC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000119451616 276195424 /nfs/dbraw/zinc/19/54/24/276195424.db2.gz HECCFGNSIFJWSU-AWEZNQCLSA-N 2 0 283.416 0.507 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)C2CC2)CC1 ZINC000105862694 278394989 /nfs/dbraw/zinc/39/49/89/278394989.db2.gz KWGHUSMPAIVGMD-CYBMUJFWSA-N 2 0 297.443 0.632 10 0 CCAERP CC(C)[NH+]1CCC(N2CC[NH2+]C[C@H]2CCO)CC1 ZINC000072429118 279480201 /nfs/dbraw/zinc/48/02/01/279480201.db2.gz OXMSZRWSNBGYTP-CQSZACIVSA-N 2 0 255.406 0.515 10 0 CCAERP CC[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000168006650 281130582 /nfs/dbraw/zinc/13/05/82/281130582.db2.gz YKKADAVBEBJOJC-HIFRSBDPSA-N 2 0 297.443 0.680 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000091393990 289294194 /nfs/dbraw/zinc/29/41/94/289294194.db2.gz DAAQIIHFTSLLLS-JHJVBQTASA-N 2 0 253.390 0.914 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000261962139 295272328 /nfs/dbraw/zinc/27/23/28/295272328.db2.gz KMCKFXYIJVAFKG-XQHKEYJVSA-N 2 0 253.390 0.995 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250840651 295314012 /nfs/dbraw/zinc/31/40/12/295314012.db2.gz LWGCLSNRRKDQFX-YNEHKIRRSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCC[NH2+]1 ZINC000334590180 300755622 /nfs/dbraw/zinc/75/56/22/300755622.db2.gz NCEDGBALGSKFPY-ZIAGYGMSSA-N 2 0 251.374 0.731 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000386825591 336180133 /nfs/dbraw/zinc/18/01/33/336180133.db2.gz UYOPJCQDDMVBMK-HUUCEWRRSA-N 2 0 291.395 0.612 10 0 CCAERP CCO[C@H](C[NH3+])CC[N@H+](CC(N)=O)C1CCCC1 ZINC000062741122 520516169 /nfs/dbraw/zinc/51/61/69/520516169.db2.gz SBUGJZHEZSYNKV-LBPRGKRZSA-N 2 0 257.378 0.470 10 0 CCAERP C[NH+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423509265 545094558 /nfs/dbraw/zinc/09/45/58/545094558.db2.gz ONONSHOSHYUSSQ-KGLIPLIRSA-N 2 0 279.359 0.949 10 0 CCAERP CCOC(=O)[C@@H](N)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121679 521075102 /nfs/dbraw/zinc/07/51/02/521075102.db2.gz LNFBIGPYLJWTDV-LBPRGKRZSA-N 2 0 257.378 0.150 10 0 CCAERP C[NH2+]CCS(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000049630455 522013574 /nfs/dbraw/zinc/01/35/74/522013574.db2.gz PRJSKEQQNFQVEJ-NSHDSACASA-N 2 0 265.423 0.102 10 0 CCAERP CC[C@](C)(C[NH3+])CN1CCN(CC[NH+](C)C)CC1 ZINC000061653753 523460612 /nfs/dbraw/zinc/46/06/12/523460612.db2.gz ZCPOJCWPXBWACD-CQSZACIVSA-N 2 0 256.438 0.541 10 0 CCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)C1 ZINC000049220430 523741809 /nfs/dbraw/zinc/74/18/09/523741809.db2.gz AHHNIUSFRAYLCQ-QJPTWQEYSA-N 2 0 257.378 0.066 10 0 CCAERP C[C@@H]([NH3+])c1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655508 525033096 /nfs/dbraw/zinc/03/30/96/525033096.db2.gz MQBLCMAHNGOHIM-LLVKDONJSA-N 2 0 283.445 0.846 10 0 CCAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000055123550 525663821 /nfs/dbraw/zinc/66/38/21/525663821.db2.gz MYJXKYRGMPPEPS-DOERSZECSA-N 2 0 265.401 0.960 10 0 CCAERP O=C(C[C@@H]1CCCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049570485 527109580 /nfs/dbraw/zinc/10/95/80/527109580.db2.gz CJTQVYFRMBKRER-RWMBFGLXSA-N 2 0 251.374 0.872 10 0 CCAERP [NH3+]CCCCS(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049568658 527177079 /nfs/dbraw/zinc/17/70/79/527177079.db2.gz KGCQMLFVEAEBFR-NEPJUHHUSA-N 2 0 275.418 0.272 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CCOC ZINC000220940902 615144177 /nfs/dbraw/zinc/14/41/77/615144177.db2.gz IJUBGNROTYQVFB-RYUDHWBXSA-N 2 0 257.378 0.293 10 0 CCAERP COCCOCCOCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226466174 636986636 /nfs/dbraw/zinc/98/66/36/636986636.db2.gz LEUVDTWRUIVPMO-CQSZACIVSA-N 2 0 274.405 0.740 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000251638489 649813878 /nfs/dbraw/zinc/81/38/78/649813878.db2.gz FTYIJNCHQKDSJC-FRRDWIJNSA-N 2 0 287.429 0.237 10 0 CCAERP CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000152088011 290663497 /nfs/dbraw/zinc/66/34/97/290663497.db2.gz ULZDXQRPVDZQSH-ZFWWWQNUSA-N 2 0 299.459 0.878 10 0 CCAERP C[C@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000601325841 362222125 /nfs/dbraw/zinc/22/21/25/362222125.db2.gz GCFXVLROLHRBDD-VHSXEESVSA-N 2 0 270.377 0.137 10 0 CCAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NCCOC)c2)C1 ZINC000116600964 349871097 /nfs/dbraw/zinc/87/10/97/349871097.db2.gz KPRUFKRDQSBXDR-NSHDSACASA-N 2 0 250.346 0.938 10 0 CCAERP CC[NH+](CC)CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117023306 349879726 /nfs/dbraw/zinc/87/97/26/349879726.db2.gz QSTXFJMFYCZRBN-ZDUSSCGKSA-N 2 0 286.420 0.300 10 0 CCAERP CCC(CC)[C@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCCC1 ZINC000262416216 137043061 /nfs/dbraw/zinc/04/30/61/137043061.db2.gz QENFBFSKXFHPLB-ZDUSSCGKSA-N 2 0 298.431 0.078 10 0 CCAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262507855 137045340 /nfs/dbraw/zinc/04/53/40/137045340.db2.gz LPVBLPURLLFWBQ-CABCVRRESA-N 2 0 297.443 0.584 10 0 CCAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262507865 137045509 /nfs/dbraw/zinc/04/55/09/137045509.db2.gz LPVBLPURLLFWBQ-GJZGRUSLSA-N 2 0 297.443 0.584 10 0 CCAERP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCSC1 ZINC000261878636 137023944 /nfs/dbraw/zinc/02/39/44/137023944.db2.gz YTYSFEHJDQSDSY-BZPMIXESSA-N 2 0 285.457 0.915 10 0 CCAERP C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000262265934 137033635 /nfs/dbraw/zinc/03/36/35/137033635.db2.gz RZGIYODULLFFBF-WFASDCNBSA-N 2 0 273.380 0.985 10 0 CCAERP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[N@H+](C)Cc1ccccc1 ZINC000262326892 137038231 /nfs/dbraw/zinc/03/82/31/137038231.db2.gz GFMPPVCXJWJXMN-VHDGCEQUSA-N 2 0 291.395 0.203 10 0 CCAERP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1[NH+](C)C ZINC000310939437 137073122 /nfs/dbraw/zinc/07/31/22/137073122.db2.gz KSYAEYYOLIFXIO-XBFCOCLRSA-N 2 0 255.406 0.323 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942794 348673603 /nfs/dbraw/zinc/67/36/03/348673603.db2.gz YWQWYCKIMZDQJS-NEPJUHHUSA-N 2 0 271.430 0.764 10 0 CCAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000085369098 349332704 /nfs/dbraw/zinc/33/27/04/349332704.db2.gz CKCPBKSGOIVSPE-GJZGRUSLSA-N 2 0 295.427 0.685 10 0 CCAERP CC[NH+](CC)CCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129585403 350217415 /nfs/dbraw/zinc/21/74/15/350217415.db2.gz PLTKVYSZODKLMD-UHFFFAOYSA-N 2 0 284.448 0.518 10 0 CCAERP CC(C)(C(=O)NCCC[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000129600792 350217947 /nfs/dbraw/zinc/21/79/47/350217947.db2.gz MXSXDDVDXGWWST-UHFFFAOYSA-N 2 0 282.432 0.272 10 0 CCAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000129637083 350218786 /nfs/dbraw/zinc/21/87/86/350218786.db2.gz YWPWZOPJIQDYCI-CYBMUJFWSA-N 2 0 294.443 0.271 10 0 CCAERP CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000129718584 350221416 /nfs/dbraw/zinc/22/14/16/350221416.db2.gz KFACAUUMOIGMPV-LBPRGKRZSA-N 2 0 280.416 0.023 10 0 CCAERP CCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862408 186080075 /nfs/dbraw/zinc/08/00/75/186080075.db2.gz AOCFWYLDKQYKIZ-KGLIPLIRSA-N 2 0 299.459 0.926 10 0 CCAERP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[NH+](C)C ZINC000162014662 350733544 /nfs/dbraw/zinc/73/35/44/350733544.db2.gz ILHMAHVAUFXMES-ZIAGYGMSSA-N 2 0 285.432 0.944 10 0 CCAERP CC[N@H+](CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000171906517 350942508 /nfs/dbraw/zinc/94/25/08/350942508.db2.gz GGZLWAIMTJQABL-CQSZACIVSA-N 2 0 280.416 0.960 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182354695 351359960 /nfs/dbraw/zinc/35/99/60/351359960.db2.gz QCVJWRRNQFBUAJ-CABCVRRESA-N 2 0 296.459 0.598 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188690140 351618140 /nfs/dbraw/zinc/61/81/40/351618140.db2.gz SRZREGDESXZWPX-SNVBAGLBSA-N 2 0 277.372 0.270 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227696501 352057666 /nfs/dbraw/zinc/05/76/66/352057666.db2.gz NLRRQYODFOFEOF-TZMCWYRMSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000235284763 352181730 /nfs/dbraw/zinc/18/17/30/352181730.db2.gz YQXLFTHAWKXLNU-FVCCEPFGSA-N 2 0 251.374 0.537 10 0 CCAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000247111315 352400692 /nfs/dbraw/zinc/40/06/92/352400692.db2.gz QPTKIVSPBWRTBA-RDBSUJKOSA-N 2 0 255.406 0.779 10 0 CCAERP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333914331 354815562 /nfs/dbraw/zinc/81/55/62/354815562.db2.gz FYGKPGDGWCJYAS-CQSZACIVSA-N 2 0 298.431 0.539 10 0 CCAERP C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000333948736 354819009 /nfs/dbraw/zinc/81/90/09/354819009.db2.gz WPIQAUGDOSWJCW-MQYQWHSLSA-N 2 0 298.431 0.081 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000335394070 354994655 /nfs/dbraw/zinc/99/46/55/354994655.db2.gz DTKRDWVDLYQIDQ-DGCLKSJQSA-N 2 0 266.389 0.522 10 0 CCAERP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H]([NH3+])C2)CCSC1 ZINC000333152957 205074273 /nfs/dbraw/zinc/07/42/73/205074273.db2.gz FLULDLKSORECCF-WCQYABFASA-N 2 0 286.445 0.556 10 0 CCAERP CC1(C)COCCN1CCNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333370953 205262721 /nfs/dbraw/zinc/26/27/21/205262721.db2.gz MJOBUEPDPABTQV-GFCCVEGCSA-N 2 0 284.404 0.006 10 0 CCAERP C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1[NH3+] ZINC000333441076 205324277 /nfs/dbraw/zinc/32/42/77/205324277.db2.gz WBVJGAGTCVCIJX-NTZNESFSSA-N 2 0 286.445 0.412 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638081314 374639363 /nfs/dbraw/zinc/63/93/63/374639363.db2.gz XQJRBOWDTUZDIF-OBJOEFQTSA-N 2 0 269.389 0.354 10 0 CCAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000638976121 375491672 /nfs/dbraw/zinc/49/16/72/375491672.db2.gz UEYHJQOWODLJAA-LBPRGKRZSA-N 2 0 253.390 0.929 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1C ZINC000246850161 285034859 /nfs/dbraw/zinc/03/48/59/285034859.db2.gz VROKIYUOFMPWLD-CABCVRRESA-N 2 0 269.433 0.859 10 0 CCAERP COC[C@H]1CCC[N@@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2C[NH3+] ZINC000020503921 388795735 /nfs/dbraw/zinc/79/57/35/388795735.db2.gz KPBSHQYUMFLVOZ-BYNSBNAKSA-N 2 0 267.417 0.766 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000262153452 285331095 /nfs/dbraw/zinc/33/10/95/285331095.db2.gz RMYZJYXNVYFMLJ-FPMFFAJLSA-N 2 0 266.772 0.977 10 0 CCAERP CC(=O)NCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862705 389088811 /nfs/dbraw/zinc/08/88/11/389088811.db2.gz LHBBWHIIRMVBEV-ZDUSSCGKSA-N 2 0 285.432 0.537 10 0 CCAERP C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1[NH3+] ZINC000333441074 389413225 /nfs/dbraw/zinc/41/32/25/389413225.db2.gz WBVJGAGTCVCIJX-MDZLAQPJSA-N 2 0 286.445 0.412 10 0 CCAERP CC[C@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588066 389477615 /nfs/dbraw/zinc/47/76/15/389477615.db2.gz MUOFIFGBHXCAOB-UONOGXRCSA-N 2 0 299.459 0.926 10 0 CCAERP O[C@]1(CN[C@H]2CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000422980754 389516112 /nfs/dbraw/zinc/51/61/12/389516112.db2.gz QXLUGGHCXWXGBX-HOTGVXAUSA-N 2 0 275.396 0.575 10 0 CCAERP CC(C)[C@H]([NH3+])CCN(C)c1cc[nH+]cc1C(N)=O ZINC000399181804 389789392 /nfs/dbraw/zinc/78/93/92/389789392.db2.gz LVKXSAOACNVJTD-LLVKDONJSA-N 2 0 250.346 0.990 10 0 CCAERP O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000649322276 390579662 /nfs/dbraw/zinc/57/96/62/390579662.db2.gz KQOSDKVNIAZNSQ-ZIAGYGMSSA-N 2 0 281.400 0.309 10 0 CCAERP CC[NH+](CC)CCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000649275176 390543162 /nfs/dbraw/zinc/54/31/62/390543162.db2.gz QEOKNIOPORFFFG-UHFFFAOYSA-N 2 0 285.432 0.851 10 0 CCAERP COCCC1(C(=O)NCCCC[NH+](C)C)CC[NH2+]CC1 ZINC000649295374 390556445 /nfs/dbraw/zinc/55/64/45/390556445.db2.gz DYPUUXJKXHMRMI-UHFFFAOYSA-N 2 0 285.432 0.851 10 0 CCAERP C[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000646533916 390691164 /nfs/dbraw/zinc/69/11/64/390691164.db2.gz RKYMJLQHADSDTM-CHWSQXEVSA-N 2 0 253.390 0.929 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578365164 390880045 /nfs/dbraw/zinc/88/00/45/390880045.db2.gz YIXFSTLARDNONW-WUHRBBMRSA-N 2 0 251.374 0.809 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000384255339 397495402 /nfs/dbraw/zinc/49/54/02/397495402.db2.gz OCNAAEWJWOQQSN-KBPBESRZSA-N 2 0 282.432 0.128 10 0 CCAERP [NH3+]CCC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000409431901 397524371 /nfs/dbraw/zinc/52/43/71/397524371.db2.gz UFYDHZOFWKDDBF-UHFFFAOYSA-N 2 0 257.403 0.375 10 0 CCAERP CC[NH+]1CCN([C@@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC000020442253 171205183 /nfs/dbraw/zinc/20/51/83/171205183.db2.gz QYVAMLKOHSZNNO-AWEZNQCLSA-N 2 0 252.406 0.047 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022217619 171376222 /nfs/dbraw/zinc/37/62/22/171376222.db2.gz LKOZAPOUKJMSKF-CYBMUJFWSA-N 2 0 297.424 0.908 10 0 CCAERP C[N@H+](CCCOc1ccc(C[NH3+])cc1)CC(N)=O ZINC000037268372 173079735 /nfs/dbraw/zinc/07/97/35/173079735.db2.gz WIBZUUUQSGGJHP-UHFFFAOYSA-N 2 0 251.330 0.331 10 0 CCAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000037758678 173683674 /nfs/dbraw/zinc/68/36/74/173683674.db2.gz IIHVKEJMWSOWRB-VXGBXAGGSA-N 2 0 251.374 0.729 10 0 CCAERP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000038029428 174020309 /nfs/dbraw/zinc/02/03/09/174020309.db2.gz VLROOQNMOIXVFM-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCc2ccccc2C1 ZINC000038031134 174024246 /nfs/dbraw/zinc/02/42/46/174024246.db2.gz ZINPPMIBRCDYHG-INIZCTEOSA-N 2 0 287.407 0.908 10 0 CCAERP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589751 414731076 /nfs/dbraw/zinc/73/10/76/414731076.db2.gz DCHPPJJBPRIUAR-QWRGUYRKSA-N 2 0 257.378 0.197 10 0 CCAERP CC(C)(C)[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258570 545882537 /nfs/dbraw/zinc/88/25/37/545882537.db2.gz SWRAHYBXXSPJRH-UHFFFAOYSA-N 2 0 251.334 0.354 10 0 CCAERP [NH3+]C[C@@H](CNc1ccnn1C1C[NH2+]C1)C(F)(F)F ZINC000725260458 545882585 /nfs/dbraw/zinc/88/25/85/545882585.db2.gz SHBNVNKIEAOKHV-ZETCQYMHSA-N 2 0 263.267 0.577 10 0 CCAERP [NH3+]Cc1nc(CNc2ccnn2C2C[NH2+]C2)cs1 ZINC000725258757 545882636 /nfs/dbraw/zinc/88/26/36/545882636.db2.gz ZFARDOVOTQSGNJ-UHFFFAOYSA-N 2 0 264.358 0.555 10 0 CCAERP CC(C)[NH+]1CCN([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264378 545885300 /nfs/dbraw/zinc/88/53/00/545885300.db2.gz JTSYLNQERZQSFV-ZIAGYGMSSA-N 2 0 267.417 0.909 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000094647899 544544949 /nfs/dbraw/zinc/54/49/49/544544949.db2.gz GVQHRYJNGHIPSR-AVGNSLFASA-N 2 0 253.390 0.833 10 0 CCAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089451041 544513594 /nfs/dbraw/zinc/51/35/94/544513594.db2.gz RNCMITJZXSBFKW-AAEUAGOBSA-N 2 0 253.390 0.914 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458280 544515067 /nfs/dbraw/zinc/51/50/67/544515067.db2.gz PEEXCWIGFLXXDM-WCQYABFASA-N 2 0 253.390 0.962 10 0 CCAERP O=C(C[C@@H]1CC[NH2+]C1)NCC[NH+]1CCCCCC1 ZINC000089746416 544516628 /nfs/dbraw/zinc/51/66/28/544516628.db2.gz HMGPVKBEGVKYSU-ZDUSSCGKSA-N 2 0 253.390 0.978 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)COC1(C)C[NH2+]C1 ZINC000098061671 544554710 /nfs/dbraw/zinc/55/47/10/544554710.db2.gz LWENFALHLMCVSO-LBPRGKRZSA-N 2 0 271.405 0.457 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000161226057 544705056 /nfs/dbraw/zinc/70/50/56/544705056.db2.gz KHQXOMREGJKQBB-FRRDWIJNSA-N 2 0 253.390 0.975 10 0 CCAERP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)[N@H+](C)C1 ZINC000333881910 545044013 /nfs/dbraw/zinc/04/40/13/545044013.db2.gz WIFNJDWYQJEZPB-ZOBORPQBSA-N 2 0 298.431 0.487 10 0 CCAERP [NH3+]C[C@H](NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C1CCCC1 ZINC000333656941 545041420 /nfs/dbraw/zinc/04/14/20/545041420.db2.gz KVLWKHIYPZOXPJ-MCIONIFRSA-N 2 0 280.416 0.755 10 0 CCAERP O=C(NC[C@@H]1CC[NH2+]C1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000333729417 545042467 /nfs/dbraw/zinc/04/24/67/545042467.db2.gz HQDUGFIEVSWYJK-TZMCWYRMSA-N 2 0 280.416 0.912 10 0 CCAERP c1ccc(C[NH+]2CCN(CCN[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000390617341 262228885 /nfs/dbraw/zinc/22/88/85/262228885.db2.gz YLVOPHKFIZWKSL-QGZVFWFLSA-N 2 0 288.439 0.756 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175368496 279333184 /nfs/dbraw/zinc/33/31/84/279333184.db2.gz MNGCFSDJPUZGKM-UONOGXRCSA-N 2 0 298.431 0.443 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000095087955 280272150 /nfs/dbraw/zinc/27/21/50/280272150.db2.gz NYIHPFDDJLVRDJ-LBPRGKRZSA-N 2 0 253.390 0.914 10 0 CCAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335377988 281196759 /nfs/dbraw/zinc/19/67/59/281196759.db2.gz MPINNVGLHYGCDA-RYUDHWBXSA-N 2 0 252.362 0.226 10 0 CCAERP OCCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000384746802 545085380 /nfs/dbraw/zinc/08/53/80/545085380.db2.gz RPJOIMJRTZETOC-ILXRZTDVSA-N 2 0 267.417 0.660 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CCCC1 ZINC000251823578 297097765 /nfs/dbraw/zinc/09/77/65/297097765.db2.gz PCFYPMWVUGBZBJ-NEPJUHHUSA-N 2 0 251.374 0.953 10 0 CCAERP C[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCCC[NH2+]1 ZINC000334655721 297872354 /nfs/dbraw/zinc/87/23/54/297872354.db2.gz SVVZOEDKLBLPLW-KOLCDFICSA-N 2 0 261.316 0.632 10 0 CCAERP [NH3+]C1(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000237885521 303354358 /nfs/dbraw/zinc/35/43/58/303354358.db2.gz IUDFCNIGFFCBEO-AWEZNQCLSA-N 2 0 295.427 0.829 10 0 CCAERP CC[NH+]1CCN([C@@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536957096 330383464 /nfs/dbraw/zinc/38/34/64/330383464.db2.gz BIPWCZPGEJBKIG-KBPBESRZSA-N 2 0 297.443 0.944 10 0 CCAERP C[NH+]1CCN([C@@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959984 330384144 /nfs/dbraw/zinc/38/41/44/330384144.db2.gz NCMJAQJSNOPTFI-STQMWFEESA-N 2 0 283.416 0.554 10 0 CCAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051116515 519793406 /nfs/dbraw/zinc/79/34/06/519793406.db2.gz JESJWDKXTFJQLQ-LLVKDONJSA-N 2 0 265.361 0.683 10 0 CCAERP CCC[NH+]1CCC(NS(=O)(=O)CCC[NH3+])CC1 ZINC000049558375 519847099 /nfs/dbraw/zinc/84/70/99/519847099.db2.gz YJYHCCIAOMIMPA-UHFFFAOYSA-N 2 0 263.407 0.129 10 0 CCAERP CC[NH2+]CC1(C[NH+]2CCC(O)CC2)CCOCC1 ZINC000052180586 519912584 /nfs/dbraw/zinc/91/25/84/519912584.db2.gz CGRWNUFPKGFMPZ-UHFFFAOYSA-N 2 0 256.390 0.849 10 0 CCAERP CCC[NH2+]C[C@H](C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061655001 519932393 /nfs/dbraw/zinc/93/23/93/519932393.db2.gz YLGYXNKREWZRFT-HNNXBMFYSA-N 2 0 270.465 0.801 10 0 CCAERP CCOCCOC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557138 519996753 /nfs/dbraw/zinc/99/67/53/519996753.db2.gz SQSKLSCJRUOEKP-OLZOCXBDSA-N 2 0 262.394 0.330 10 0 CCAERP CC[NH+](CC)CCCNS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049641717 520622886 /nfs/dbraw/zinc/62/28/86/520622886.db2.gz KAGIQUVPXPGASP-GFCCVEGCSA-N 2 0 277.434 0.390 10 0 CCAERP COCCNC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049278008 523891363 /nfs/dbraw/zinc/89/13/63/523891363.db2.gz HSDVRVOCOMYXEL-UHFFFAOYSA-N 2 0 257.378 0.342 10 0 CCAERP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cnn(C)c1 ZINC000151836054 525427174 /nfs/dbraw/zinc/42/71/74/525427174.db2.gz MWHNDLBOULPRBN-GFCCVEGCSA-N 2 0 266.389 0.775 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052809696 623064058 /nfs/dbraw/zinc/06/40/58/623064058.db2.gz OLFCJOZQIMTSGP-UONOGXRCSA-N 2 0 279.384 0.769 10 0 CCAERP O[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000310559527 623349071 /nfs/dbraw/zinc/34/90/71/623349071.db2.gz RFTUQQDYDGPQDI-KGLIPLIRSA-N 2 0 253.390 0.223 10 0 CCAERP COCCOCCOCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000311853683 623807181 /nfs/dbraw/zinc/80/71/81/623807181.db2.gz SXNCADBQCJWKRR-IHRRRGAJSA-N 2 0 272.389 0.335 10 0 CCAERP CCCCOC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000227910433 637040305 /nfs/dbraw/zinc/04/03/05/637040305.db2.gz UXKORZVGAWOZMU-AWEZNQCLSA-N 2 0 273.421 0.001 10 0 CCAERP C[NH+](C)C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000161687379 282127826 /nfs/dbraw/zinc/12/78/26/282127826.db2.gz YBXSXQNMWFETMC-ZIAGYGMSSA-N 2 0 255.406 0.733 10 0 CCAERP COC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915535 349728700 /nfs/dbraw/zinc/72/87/00/349728700.db2.gz PYYFCCBJSYCZKT-GFCCVEGCSA-N 2 0 272.389 0.574 10 0 CCAERP CC[NH+](CC)CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117023302 349879182 /nfs/dbraw/zinc/87/91/82/349879182.db2.gz QSTXFJMFYCZRBN-CYBMUJFWSA-N 2 0 286.420 0.300 10 0 CCAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000344120341 137178784 /nfs/dbraw/zinc/17/87/84/137178784.db2.gz ZLEMBLPWFCSYTI-YNEHKIRRSA-N 2 0 268.401 0.846 10 0 CCAERP COc1ccc(C[NH2+]CCC[NH2+]CCO)cc1OC ZINC000013732656 348030787 /nfs/dbraw/zinc/03/07/87/348030787.db2.gz DEWWJWZTNVGEJF-UHFFFAOYSA-N 2 0 268.357 0.765 10 0 CCAERP O=C(CC[NH2+]C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812787 348208376 /nfs/dbraw/zinc/20/83/76/348208376.db2.gz LZGXGGJFNPBMOG-ZDUSSCGKSA-N 2 0 251.374 0.825 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000054291744 348548178 /nfs/dbraw/zinc/54/81/78/348548178.db2.gz AOOSKYOLMXYLBF-ZDUSSCGKSA-N 2 0 253.390 0.978 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(CC)CC[NH2+]C2)C1 ZINC000062898895 348672303 /nfs/dbraw/zinc/67/23/03/348672303.db2.gz JMYSRIUPPUGGLZ-GXTWGEPZSA-N 2 0 253.390 0.977 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(C[NH3+])CCOCC3)CC[C@@H]21 ZINC000166578859 350799634 /nfs/dbraw/zinc/79/96/34/350799634.db2.gz XUYHMXGLZVSZFY-KGLIPLIRSA-N 2 0 295.427 0.685 10 0 CCAERP [NH3+]Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2 ZINC000168339256 350824284 /nfs/dbraw/zinc/82/42/84/350824284.db2.gz JHERPQCBMFFGOC-UHFFFAOYSA-N 2 0 270.336 0.787 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000176257560 351165671 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CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000249392141 352490047 /nfs/dbraw/zinc/49/00/47/352490047.db2.gz GEQOSDHXRMKWCD-YVECIDJPSA-N 2 0 269.389 0.208 10 0 CCAERP CCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000262130506 352580552 /nfs/dbraw/zinc/58/05/52/352580552.db2.gz MKXOYTWGXSFUJX-TZMCWYRMSA-N 2 0 283.416 0.826 10 0 CCAERP CC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000134366512 137660677 /nfs/dbraw/zinc/66/06/77/137660677.db2.gz PYTUCDUPJMMHDT-IIKSMHAQSA-N 2 0 251.374 0.918 10 0 CCAERP O=C(C[C@@H]1C[NH2+]CCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328642935 354244518 /nfs/dbraw/zinc/24/45/18/354244518.db2.gz RFHLHXDOQOHCFQ-DGCLKSJQSA-N 2 0 267.373 0.108 10 0 CCAERP O=C(NCC1(N2CCOCC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333745185 354787288 /nfs/dbraw/zinc/78/72/88/354787288.db2.gz JITXDGYRVCFSIL-ZDUSSCGKSA-N 2 0 296.415 0.293 10 0 CCAERP C[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1[NH3+] ZINC000333941375 354817838 /nfs/dbraw/zinc/81/78/38/354817838.db2.gz OYSSEGFZSJZKOR-SMDDNHRTSA-N 2 0 280.416 0.849 10 0 CCAERP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1C[NH2+]C1 ZINC000335379794 291061701 /nfs/dbraw/zinc/06/17/01/291061701.db2.gz STFSJZGSFBTPPH-CMPLNLGQSA-N 2 0 252.362 0.226 10 0 CCAERP CN1CC[NH+]([C@H]2CCC[C@H]2N2CC[NH2+]CC2)CC1 ZINC000409438004 358112594 /nfs/dbraw/zinc/11/25/94/358112594.db2.gz BRBJHMCMJMZUBK-KGLIPLIRSA-N 2 0 252.406 0.060 10 0 CCAERP O=C(N1CC[N@@H+]2CCC[C@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767647 372215158 /nfs/dbraw/zinc/21/51/58/372215158.db2.gz FRRCRYDSENVYLQ-YDHLFZDLSA-N 2 0 263.385 0.683 10 0 CCAERP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CC(O)C1 ZINC000333120633 205046667 /nfs/dbraw/zinc/04/66/67/205046667.db2.gz UXNISSRGHVLARK-UHFFFAOYSA-N 2 0 295.427 0.432 10 0 CCAERP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]([NH3+])C2)CCSC1 ZINC000333152955 205075182 /nfs/dbraw/zinc/07/51/82/205075182.db2.gz FLULDLKSORECCF-AAEUAGOBSA-N 2 0 286.445 0.556 10 0 CCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000333379088 205270697 /nfs/dbraw/zinc/27/06/97/205270697.db2.gz NIBVPSOWXXWAHB-ZIAGYGMSSA-N 2 0 298.431 0.476 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000638081159 374640632 /nfs/dbraw/zinc/64/06/32/374640632.db2.gz WCFABEWLBSZDID-DZGCQCFKSA-N 2 0 283.416 0.746 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638109986 374677451 /nfs/dbraw/zinc/67/74/51/374677451.db2.gz YSYYPFUCAMWNAG-GXTWGEPZSA-N 2 0 269.389 0.308 10 0 CCAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000638109914 374678526 /nfs/dbraw/zinc/67/85/26/374678526.db2.gz ZOAJIUIMCXPFAC-DYEKYZERSA-N 2 0 267.373 0.060 10 0 CCAERP COC[C@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CCCC[NH2+]1 ZINC000638276200 374878972 /nfs/dbraw/zinc/87/89/72/374878972.db2.gz RJYQGSVYNBJASP-OCCSQVGLSA-N 2 0 269.389 0.308 10 0 CCAERP C[C@H](NC(=O)N1CC[NH2+]C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000334949534 207341515 /nfs/dbraw/zinc/34/15/15/207341515.db2.gz UQRDUIZRJKTHGZ-NEPJUHHUSA-N 2 0 266.389 0.640 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH3+])CC2)C1 ZINC000335285667 208101060 /nfs/dbraw/zinc/10/10/60/208101060.db2.gz QAIOSANUZVTJFO-GFCCVEGCSA-N 2 0 254.378 0.603 10 0 CCAERP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309682863 389093733 /nfs/dbraw/zinc/09/37/33/389093733.db2.gz BFOFOLXIYWKTFJ-GJZGRUSLSA-N 2 0 291.395 0.598 10 0 CCAERP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000311064683 389101189 /nfs/dbraw/zinc/10/11/89/389101189.db2.gz KQPVPGIIHLLBQA-AGIUHOORSA-N 2 0 251.374 0.666 10 0 CCAERP CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311795630 389105207 /nfs/dbraw/zinc/10/52/07/389105207.db2.gz YYUDYFSGNGDNHX-TZMCWYRMSA-N 2 0 265.401 0.929 10 0 CCAERP CCC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262603222 389289738 /nfs/dbraw/zinc/28/97/38/389289738.db2.gz ZIHBLFWPFLIFFA-STQMWFEESA-N 2 0 271.405 0.467 10 0 CCAERP CC[C@H](O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161937795 389412399 /nfs/dbraw/zinc/41/23/99/389412399.db2.gz CFHSOVJCHIRUSE-GJZGRUSLSA-N 2 0 269.433 0.859 10 0 CCAERP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]2C[NH3+])CCSC1 ZINC000333432235 389413068 /nfs/dbraw/zinc/41/30/68/389413068.db2.gz UUKMLXNNMOZGGJ-AAEUAGOBSA-N 2 0 286.445 0.556 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000170862670 389466561 /nfs/dbraw/zinc/46/65/61/389466561.db2.gz AYWGSHUYWAKUAD-LBPRGKRZSA-N 2 0 254.378 0.426 10 0 CCAERP CCNC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588936 389477606 /nfs/dbraw/zinc/47/76/06/389477606.db2.gz JQCANOPMRUGTJT-CYBMUJFWSA-N 2 0 285.432 0.537 10 0 CCAERP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000335381763 389551909 /nfs/dbraw/zinc/55/19/09/389551909.db2.gz SVCFHAQHXMLWHW-WCQYABFASA-N 2 0 253.390 0.912 10 0 CCAERP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000334805052 389505268 /nfs/dbraw/zinc/50/52/68/389505268.db2.gz REEIOCPFHJRDFG-UONOGXRCSA-N 2 0 280.416 0.960 10 0 CCAERP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000179245292 389648627 /nfs/dbraw/zinc/64/86/27/389648627.db2.gz MXJWJZLZIDAFTF-HUUCEWRRSA-N 2 0 285.432 0.094 10 0 CCAERP C[C@@H]([NH2+]CCCN1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000643454252 390448031 /nfs/dbraw/zinc/44/80/31/390448031.db2.gz QDCOOOJAOIMIPX-ZIAGYGMSSA-N 2 0 255.406 0.686 10 0 CCAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649276644 390544160 /nfs/dbraw/zinc/54/41/60/390544160.db2.gz VHWXCBAZTWGUHS-UONOGXRCSA-N 2 0 285.432 0.849 10 0 CCAERP COC[C@]1(C(=O)NCC2([NH+](C)C)CCCC2)CCC[NH2+]1 ZINC000649277648 390545931 /nfs/dbraw/zinc/54/59/31/390545931.db2.gz NDCDSGCUHHRKQT-HNNXBMFYSA-N 2 0 283.416 0.746 10 0 CCAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649280795 390547409 /nfs/dbraw/zinc/54/74/09/390547409.db2.gz MDBBWWBEQZIHPN-UONOGXRCSA-N 2 0 283.416 0.603 10 0 CCAERP CC1CC[NH+](CCCNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649281518 390548507 /nfs/dbraw/zinc/54/85/07/390548507.db2.gz PNFWLNSWZFLJRS-AWEZNQCLSA-N 2 0 283.416 0.461 10 0 CCAERP COC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000649301343 390559911 /nfs/dbraw/zinc/55/99/11/390559911.db2.gz WBUUQZZHZDDWJK-UKRRQHHQSA-N 2 0 283.416 0.603 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649306052 390565745 /nfs/dbraw/zinc/56/57/45/390565745.db2.gz XTPBWWGYUCSHGV-GXTWGEPZSA-N 2 0 269.389 0.356 10 0 CCAERP C[NH+]1CCC(CCNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649309390 390567813 /nfs/dbraw/zinc/56/78/13/390567813.db2.gz MTTOTVUDTXQVCC-ZDUSSCGKSA-N 2 0 269.389 0.071 10 0 CCAERP CC[N@H+](CCNC(=O)[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000649318566 390575296 /nfs/dbraw/zinc/57/52/96/390575296.db2.gz WGWZAURECCNFNK-CQSZACIVSA-N 2 0 269.389 0.356 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649337542 390593383 /nfs/dbraw/zinc/59/33/83/390593383.db2.gz SQOPZQAZHXVMNK-HZSPNIEDSA-N 2 0 281.400 0.308 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649374064 390609426 /nfs/dbraw/zinc/60/94/26/390609426.db2.gz NAEXFTYGCFHXNU-CYBMUJFWSA-N 2 0 269.389 0.023 10 0 CCAERP CCCN(CC[NH+](C)C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649374994 390610404 /nfs/dbraw/zinc/61/04/04/390610404.db2.gz CRBCQWKVSZQSFQ-CQSZACIVSA-N 2 0 271.405 0.555 10 0 CCAERP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261809147 131170924 /nfs/dbraw/zinc/17/09/24/131170924.db2.gz HJCLMMNCBNBNRV-CABCVRRESA-N 2 0 291.395 0.870 10 0 CCAERP [NH2+]=C(CN1CCC([NH+]2CCSCC2)CC1)NO ZINC000409433038 397524454 /nfs/dbraw/zinc/52/44/54/397524454.db2.gz XAVXTFMOPMVHMC-UHFFFAOYSA-N 2 0 258.391 0.456 10 0 CCAERP C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000062980316 411687742 /nfs/dbraw/zinc/68/77/42/411687742.db2.gz GFRNTWSOJYLPCH-CABCVRRESA-N 2 0 267.417 0.783 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022218314 171376628 /nfs/dbraw/zinc/37/66/28/171376628.db2.gz OPMGGFCRYQQTOM-UHFFFAOYSA-N 2 0 285.413 0.765 10 0 CCAERP CNC(=O)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])C1CCCC1 ZINC000037299702 173105270 /nfs/dbraw/zinc/10/52/70/173105270.db2.gz RVDPBWHUJCZVEU-SNVBAGLBSA-N 2 0 270.377 0.424 10 0 CCAERP COCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037826768 173784332 /nfs/dbraw/zinc/78/43/32/173784332.db2.gz MBCHQFJLXPJFEJ-LBPRGKRZSA-N 2 0 257.378 0.165 10 0 CCAERP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccc2nccn2c1 ZINC000039073315 174162385 /nfs/dbraw/zinc/16/23/85/174162385.db2.gz FJFCUQGQWCMREA-IJLUTSLNSA-N 2 0 256.309 0.815 10 0 CCAERP C[C@@H](C(=O)N1CCCC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750406 174395495 /nfs/dbraw/zinc/39/54/95/174395495.db2.gz PWXKQEOQJRZREA-WODVXLOZSA-N 2 0 251.374 0.951 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662703287 414743512 /nfs/dbraw/zinc/74/35/12/414743512.db2.gz JBUPLCMNQFYGMX-GMTAPVOTSA-N 2 0 293.333 0.985 10 0 CCAERP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CN[C@H]2CC[NH2+]C2)C1 ZINC000665282776 415586536 /nfs/dbraw/zinc/58/65/36/415586536.db2.gz BNHPVEZWMLMIFL-DLBZAZTESA-N 2 0 288.439 0.754 10 0 CCAERP [NH3+]C[C@@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000071600847 176226970 /nfs/dbraw/zinc/22/69/70/176226970.db2.gz MMHCTKNDOGNUCI-GFCCVEGCSA-N 2 0 269.414 0.228 10 0 CCAERP [NH3+]C[C@H](CNc1ccnn1C1C[NH2+]C1)C(F)(F)F ZINC000725260457 545882413 /nfs/dbraw/zinc/88/24/13/545882413.db2.gz SHBNVNKIEAOKHV-SSDOTTSWSA-N 2 0 263.267 0.577 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000136396935 544639198 /nfs/dbraw/zinc/63/91/98/544639198.db2.gz BUKOSIKSKFKFPV-CYBMUJFWSA-N 2 0 253.390 0.914 10 0 CCAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ncnn3C2)[C@H](C)C1 ZINC000246303443 276231334 /nfs/dbraw/zinc/23/13/34/276231334.db2.gz DFYHKLFYAICGIS-AGIUHOORSA-N 2 0 263.389 0.913 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000173500214 279309835 /nfs/dbraw/zinc/30/98/35/279309835.db2.gz XSCFMUJHPVSMIJ-ZIAGYGMSSA-N 2 0 280.416 0.960 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000246178550 290091171 /nfs/dbraw/zinc/09/11/71/290091171.db2.gz BXQMQDJSJMJVCY-STQMWFEESA-N 2 0 283.416 0.290 10 0 CCAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2C[NH2+]C2)C1 ZINC000335379872 290172850 /nfs/dbraw/zinc/17/28/50/290172850.db2.gz UPWHFPCVERSTJH-CMPLNLGQSA-N 2 0 252.362 0.084 10 0 CCAERP OCCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000384746805 545085365 /nfs/dbraw/zinc/08/53/65/545085365.db2.gz RPJOIMJRTZETOC-SOUVJXGZSA-N 2 0 267.417 0.660 10 0 CCAERP [NH3+]C1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000333663123 295211380 /nfs/dbraw/zinc/21/13/80/295211380.db2.gz LXJFHABHHDFYBM-BPCQOVAHSA-N 2 0 266.389 0.746 10 0 CCAERP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333647402 295245378 /nfs/dbraw/zinc/24/53/78/295245378.db2.gz JFWFHGDMHSAEFU-RYUDHWBXSA-N 2 0 254.378 0.651 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000261962138 295272326 /nfs/dbraw/zinc/27/23/26/295272326.db2.gz KMCKFXYIJVAFKG-LPWJVIDDSA-N 2 0 253.390 0.995 10 0 CCAERP O=C(NCC1([NH+]2CCSCC2)CCCC1)C1C[NH2+]C1 ZINC000263310013 303757684 /nfs/dbraw/zinc/75/76/84/303757684.db2.gz PCUFDCIDNMYPKI-UHFFFAOYSA-N 2 0 283.441 0.684 10 0 CCAERP CC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](CC)CC2)O1 ZINC000052422484 519955778 /nfs/dbraw/zinc/95/57/78/519955778.db2.gz MWERYMWATXSYJY-UONOGXRCSA-N 2 0 255.406 0.781 10 0 CCAERP CCC[NH2+]C[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000053012454 519936592 /nfs/dbraw/zinc/93/65/92/519936592.db2.gz SAKFLVCMKGWMPO-CQSZACIVSA-N 2 0 255.406 0.640 10 0 CCAERP CC[NH+](CC)[C@H]1CCN([C@@H]2COCC[C@@H]2[NH2+]C)C1 ZINC000062978969 520874104 /nfs/dbraw/zinc/87/41/04/520874104.db2.gz OWNNACZUSPGKAM-MELADBBJSA-N 2 0 255.406 0.779 10 0 CCAERP COCC[N@H+](CCn1cc(C[NH3+])nn1)[C@H](C)C1CC1 ZINC000052545390 523729404 /nfs/dbraw/zinc/72/94/04/523729404.db2.gz JRDQIKUZRKIWMD-LLVKDONJSA-N 2 0 267.377 0.484 10 0 CCAERP C[NH+](C)CCCC[NH2+]CC(=O)NC1CCOCC1 ZINC000062768812 524053039 /nfs/dbraw/zinc/05/30/39/524053039.db2.gz HKQNFFCMNUTRSD-UHFFFAOYSA-N 2 0 257.378 0.213 10 0 CCAERP C[C@H](C[NH3+])C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000054346035 524308036 /nfs/dbraw/zinc/30/80/36/524308036.db2.gz XVLLCBNAEGMMRM-SNVBAGLBSA-N 2 0 256.371 0.775 10 0 CCAERP C[C@H]1CC[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH3+] ZINC000055123530 524385350 /nfs/dbraw/zinc/38/53/50/524385350.db2.gz IMHWSXQZDMIXKO-DOERSZECSA-N 2 0 265.401 0.960 10 0 CCAERP [NH3+]Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000061710170 527256030 /nfs/dbraw/zinc/25/60/30/527256030.db2.gz UKQALMJBXINFSW-CYBMUJFWSA-N 2 0 263.341 0.541 10 0 CCAERP CCCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CC[NH2+]C1 ZINC000261729182 535231782 /nfs/dbraw/zinc/23/17/82/535231782.db2.gz JVPCXRHCSMRWDI-UTUOFQBUSA-N 2 0 255.362 0.093 10 0 CCAERP C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000091394524 349460980 /nfs/dbraw/zinc/46/09/80/349460980.db2.gz XUOPEIFTIRXGNC-STQMWFEESA-N 2 0 253.390 0.929 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544178 349466288 /nfs/dbraw/zinc/46/62/88/349466288.db2.gz DNNIFKSZFODQCB-STQMWFEESA-N 2 0 269.389 0.295 10 0 CCAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH+](C)C ZINC000116467463 349870697 /nfs/dbraw/zinc/87/06/97/349870697.db2.gz CBEXUXROYNQXOA-HIFRSBDPSA-N 2 0 290.411 0.970 10 0 CCAERP COCCN1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000119523079 349940244 /nfs/dbraw/zinc/94/02/44/349940244.db2.gz DYXMQENAOHZVDG-OAHLLOKOSA-N 2 0 297.443 0.897 10 0 CCAERP CN1CCO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250372270 137001415 /nfs/dbraw/zinc/00/14/15/137001415.db2.gz JAJBDHWXQTWVNA-HZSPNIEDSA-N 2 0 253.390 0.533 10 0 CCAERP CC1(C)CN(CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000261620983 137012603 /nfs/dbraw/zinc/01/26/03/137012603.db2.gz URUIEFDBBDEHRD-JTQLQIEISA-N 2 0 268.361 0.034 10 0 CCAERP C[C@H]([NH3+])CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000261864622 137023186 /nfs/dbraw/zinc/02/31/86/137023186.db2.gz PYKNCWCKGXPRJV-NWDGAFQWSA-N 2 0 269.389 0.435 10 0 CCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000305770372 137070561 /nfs/dbraw/zinc/07/05/61/137070561.db2.gz XQTYRYJTKCXCDW-OCCSQVGLSA-N 2 0 283.416 0.290 10 0 CCAERP C[C@@H]1C[N@@H+](CCC(=O)NC[C@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000067804288 348785650 /nfs/dbraw/zinc/78/56/50/348785650.db2.gz XDGXVRHPYKZBLH-HZSPNIEDSA-N 2 0 283.416 0.554 10 0 CCAERP COC[C@@H](C)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104443459 186003934 /nfs/dbraw/zinc/00/39/34/186003934.db2.gz TYUOTSBPGGLBFV-MNOVXSKESA-N 2 0 257.378 0.197 10 0 CCAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CN3CCCC3=O)CC[C@@H]21 ZINC000158963590 350664936 /nfs/dbraw/zinc/66/49/36/350664936.db2.gz SPCUJQYHEMZSPM-ILXRZTDVSA-N 2 0 295.427 0.386 10 0 CCAERP COCCCNC1=[NH+][C@@H]2CCN(C2)C12CC[NH2+]CC2 ZINC000169676293 350838546 /nfs/dbraw/zinc/83/85/46/350838546.db2.gz DVWWDUWFEBWRHQ-GFCCVEGCSA-N 2 0 266.389 0.221 10 0 CCAERP C[C@@H](C(N)=O)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171305079 350900319 /nfs/dbraw/zinc/90/03/19/350900319.db2.gz CGWKHCIUZFUMJK-UPJWGTAASA-N 2 0 283.416 0.681 10 0 CCAERP C[C@H]1C[N@@H+](C2CCN(C(=O)C[NH+](C)C)CC2)CCO1 ZINC000171187234 350891440 /nfs/dbraw/zinc/89/14/40/350891440.db2.gz RBWUHDJQXRVYBD-LBPRGKRZSA-N 2 0 269.389 0.260 10 0 CCAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000172166665 350962733 /nfs/dbraw/zinc/96/27/33/350962733.db2.gz CPQFVFASPUFOQO-AWEZNQCLSA-N 2 0 263.385 0.837 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188764702 351626608 /nfs/dbraw/zinc/62/66/08/351626608.db2.gz HRTMXZMBJSXAFI-LLVKDONJSA-N 2 0 291.399 0.612 10 0 CCAERP O=C(c1[nH]nc2c1C[NH2+]CC2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000188802521 351630198 /nfs/dbraw/zinc/63/01/98/351630198.db2.gz LLCBRJVOGNJQGU-SNVBAGLBSA-N 2 0 289.383 0.412 10 0 CCAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192842462 351801067 /nfs/dbraw/zinc/80/10/67/351801067.db2.gz BALKSVSACRJLBN-HNSVSWJLSA-N 3 0 280.460 0.837 10 0 CCAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192842479 351801320 /nfs/dbraw/zinc/80/13/20/351801320.db2.gz BALKSVSACRJLBN-WZYMTQMTSA-N 3 0 280.460 0.837 10 0 CCAERP CCC[N@H+](CC)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226407651 352026615 /nfs/dbraw/zinc/02/66/15/352026615.db2.gz MOESGHVAPBQFFU-UHFFFAOYSA-N 2 0 284.448 0.518 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)CCO1 ZINC000246294788 352360023 /nfs/dbraw/zinc/36/00/23/352360023.db2.gz NOARNQOZQOVVRA-RDBSUJKOSA-N 2 0 295.427 0.826 10 0 CCAERP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246706612 352379938 /nfs/dbraw/zinc/37/99/38/352379938.db2.gz WONGHZNDAWKRNB-TZMCWYRMSA-N 2 0 276.384 0.628 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250229457 352503473 /nfs/dbraw/zinc/50/34/73/352503473.db2.gz FYASOLXPIYQHIS-CHWSQXEVSA-N 2 0 253.390 0.834 10 0 CCAERP CCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000262130503 352580941 /nfs/dbraw/zinc/58/09/41/352580941.db2.gz MKXOYTWGXSFUJX-OCCSQVGLSA-N 2 0 283.416 0.826 10 0 CCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333672098 295850848 /nfs/dbraw/zinc/85/08/48/295850848.db2.gz NGPIYDQIYSAADI-ZDUSSCGKSA-N 2 0 280.416 0.914 10 0 CCAERP O=C(C[C@@H]1C[NH2+]CCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328642936 354244198 /nfs/dbraw/zinc/24/41/98/354244198.db2.gz RFHLHXDOQOHCFQ-WCQYABFASA-N 2 0 267.373 0.108 10 0 CCAERP CCCN(C(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000333705121 354779564 /nfs/dbraw/zinc/77/95/64/354779564.db2.gz RKNFOQQEPJLEJK-OLZOCXBDSA-N 2 0 268.405 0.912 10 0 CCAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335038750 354944932 /nfs/dbraw/zinc/94/49/32/354944932.db2.gz SDAHWKCCCBVOEM-VXGBXAGGSA-N 2 0 251.374 0.811 10 0 CCAERP C[NH+](C)Cc1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000560635374 291110540 /nfs/dbraw/zinc/11/05/40/291110540.db2.gz OUHPDEMMUPXAEF-GJZGRUSLSA-N 2 0 291.395 0.495 10 0 CCAERP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000333687008 283485690 /nfs/dbraw/zinc/48/56/90/283485690.db2.gz PJBRQHTYWVBMFZ-ILXRZTDVSA-N 2 0 288.395 0.732 10 0 CCAERP Cc1cc(NC(=O)CC[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631840367 370706583 /nfs/dbraw/zinc/70/65/83/370706583.db2.gz SECWSCVGWCGPNI-KOLCDFICSA-N 2 0 266.345 0.260 10 0 CCAERP CC(=O)Nc1cccc([C@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616604603 365382500 /nfs/dbraw/zinc/38/25/00/365382500.db2.gz XJBBAOUFLYXBOH-CQSZACIVSA-N 2 0 262.357 0.550 10 0 CCAERP CC(=O)Nc1cccc([C@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616636737 365396888 /nfs/dbraw/zinc/39/68/88/365396888.db2.gz NWDDVDGUBDRAGE-CQSZACIVSA-N 2 0 262.357 0.550 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@@H](c2cc3ccccc3nn2)C1 ZINC000616658118 365412633 /nfs/dbraw/zinc/41/26/33/365412633.db2.gz XRTGGBAPMJIJDF-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@H](CC[NH3+])C1 ZINC000616682472 365422717 /nfs/dbraw/zinc/42/27/17/365422717.db2.gz ZZXLHEGWNKCVMB-GFCCVEGCSA-N 2 0 287.404 0.951 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000335536807 212233397 /nfs/dbraw/zinc/23/33/97/212233397.db2.gz SGUVRCOTUPRVGL-GXTWGEPZSA-N 2 0 265.401 0.929 10 0 CCAERP O=C(N1CC[NH+]2CCC1CC2)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770251 372218379 /nfs/dbraw/zinc/21/83/79/372218379.db2.gz FKQQIKRORQCKST-WFASDCNBSA-N 2 0 263.385 0.683 10 0 CCAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000333133845 205057635 /nfs/dbraw/zinc/05/76/35/205057635.db2.gz CBFZTFQSPKCHPS-AGIUHOORSA-N 2 0 268.405 0.766 10 0 CCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333362651 205255842 /nfs/dbraw/zinc/25/58/42/205255842.db2.gz LIEORQLMXGCCAB-OLZOCXBDSA-N 2 0 268.405 0.770 10 0 CCAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333437371 205321676 /nfs/dbraw/zinc/32/16/76/205321676.db2.gz VNZNRAPJOYHOTE-IHRRRGAJSA-N 2 0 298.431 0.225 10 0 CCAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000638237345 374830679 /nfs/dbraw/zinc/83/06/79/374830679.db2.gz QWRVLDBSVNALCO-VXGBXAGGSA-N 2 0 251.374 0.811 10 0 CCAERP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000334805050 207107537 /nfs/dbraw/zinc/10/75/37/207107537.db2.gz REEIOCPFHJRDFG-KGLIPLIRSA-N 2 0 280.416 0.960 10 0 CCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000111866926 285033612 /nfs/dbraw/zinc/03/36/12/285033612.db2.gz POSPLXCBYBZDOF-UONOGXRCSA-N 2 0 298.431 0.443 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000335285375 208101119 /nfs/dbraw/zinc/10/11/19/208101119.db2.gz MOBNLJXPOIWSFM-NWDGAFQWSA-N 2 0 254.378 0.474 10 0 CCAERP CSC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000249137563 285104082 /nfs/dbraw/zinc/10/40/82/285104082.db2.gz ICDWFCMBJMJLED-TZMCWYRMSA-N 2 0 290.473 0.735 10 0 CCAERP CCC(CC)[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000188055275 388911186 /nfs/dbraw/zinc/91/11/86/388911186.db2.gz PUNMOFQJEFXWIC-HUUCEWRRSA-N 2 0 297.443 0.992 10 0 CCAERP CC1(C)OCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336903304 389029529 /nfs/dbraw/zinc/02/95/29/389029529.db2.gz VCXKUBDFCDSBKY-CHWSQXEVSA-N 2 0 256.390 0.990 10 0 CCAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121197704 389147599 /nfs/dbraw/zinc/14/75/99/389147599.db2.gz RFMPJRIJQQXLOB-GRYCIOLGSA-N 2 0 277.434 0.244 10 0 CCAERP CS[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@@H]1[NH+](C)C ZINC000262594118 389289715 /nfs/dbraw/zinc/28/97/15/389289715.db2.gz WAPGYGGWTHQFPI-AXFHLTTASA-N 2 0 259.419 0.474 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000334186287 389459505 /nfs/dbraw/zinc/45/95/05/389459505.db2.gz FIUFCTNZRZKKAW-NWDGAFQWSA-N 2 0 251.374 0.716 10 0 CCAERP CC(C)[N@@H+](C)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176458286 389558493 /nfs/dbraw/zinc/55/84/93/389558493.db2.gz IDEAVYFTWDCTKZ-CQSZACIVSA-N 2 0 299.459 0.878 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000647971242 390235196 /nfs/dbraw/zinc/23/51/96/390235196.db2.gz ZQONXQGEKJVOPZ-ZIAGYGMSSA-N 2 0 257.422 0.571 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000648152399 390314735 /nfs/dbraw/zinc/31/47/35/390314735.db2.gz YEVRUOPADLHZLM-ZJUUUORDSA-N 2 0 261.316 0.394 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643773509 390540236 /nfs/dbraw/zinc/54/02/36/390540236.db2.gz AEOUSZSDHFUEFP-LBPRGKRZSA-N 2 0 269.389 0.211 10 0 CCAERP COCCC1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000643777632 390542560 /nfs/dbraw/zinc/54/25/60/390542560.db2.gz PLKBGUFCQWEPDS-CYBMUJFWSA-N 2 0 283.416 0.555 10 0 CCAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1cccs1 ZINC000649277570 390545743 /nfs/dbraw/zinc/54/57/43/390545743.db2.gz FNEKGTSGYKRRHZ-NEPJUHHUSA-N 2 0 297.424 0.703 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000649301394 390561223 /nfs/dbraw/zinc/56/12/23/390561223.db2.gz ZLTLGKONWWTWPM-QWHCGFSZSA-N 2 0 269.389 0.071 10 0 CCAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649303961 390564426 /nfs/dbraw/zinc/56/44/26/390564426.db2.gz VMHFSHCDALJUNK-NWDGAFQWSA-N 2 0 257.378 0.069 10 0 CCAERP COCCC1(C(=O)N[C@@H](C)CC[NH+](C)C)CC[NH2+]CC1 ZINC000649308608 390568263 /nfs/dbraw/zinc/56/82/63/390568263.db2.gz PZCCXZQRZLKHEE-ZDUSSCGKSA-N 2 0 285.432 0.849 10 0 CCAERP CC[NH+](CC)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261976966 131180076 /nfs/dbraw/zinc/18/00/76/131180076.db2.gz RFVQZMRIMQAUSE-KGLIPLIRSA-N 2 0 293.415 0.181 10 0 CCAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392816900 397513165 /nfs/dbraw/zinc/51/31/65/397513165.db2.gz MRXGOEZSUADRHK-OLZOCXBDSA-N 2 0 251.374 0.753 10 0 CCAERP C[NH2+]CC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000409429197 397524493 /nfs/dbraw/zinc/52/44/93/397524493.db2.gz OCGCYKBQUARNBV-UHFFFAOYSA-N 2 0 257.403 0.246 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616572878 397598587 /nfs/dbraw/zinc/59/85/87/397598587.db2.gz XIISJYHJXPFNNP-KBPBESRZSA-N 2 0 261.369 0.891 10 0 CCAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653115129 412225803 /nfs/dbraw/zinc/22/58/03/412225803.db2.gz DKLMLCMCWVULPO-NXEZZACHSA-N 2 0 281.322 0.841 10 0 CCAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCNS(C)(=O)=O)CC1 ZINC000037221737 173041465 /nfs/dbraw/zinc/04/14/65/173041465.db2.gz QFISIMJOYZFJIP-GFCCVEGCSA-N 2 0 291.461 0.636 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000662911048 414884160 /nfs/dbraw/zinc/88/41/60/414884160.db2.gz QTSRXZURMTVLOG-GXTWGEPZSA-N 2 0 269.389 0.356 10 0 CCAERP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[NH2+]C2)C1 ZINC000665282777 415586918 /nfs/dbraw/zinc/58/69/18/415586918.db2.gz BNHPVEZWMLMIFL-IAGOWNOFSA-N 2 0 288.439 0.754 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)CC1CC[NH2+]CC1 ZINC000071189557 176065967 /nfs/dbraw/zinc/06/59/67/176065967.db2.gz GKRLHNBHNBUQMB-ZDUSSCGKSA-N 2 0 253.390 0.786 10 0 CCAERP CSCC[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258225 545880649 /nfs/dbraw/zinc/88/06/49/545880649.db2.gz LLZYEQNSCRQDIP-SECBINFHSA-N 2 0 269.374 0.046 10 0 CCAERP C[NH+](C)CC(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262943 545883021 /nfs/dbraw/zinc/88/30/21/545883021.db2.gz VJXKWGAYGYZAJK-BDAKNGLRSA-N 2 0 267.295 0.595 10 0 CCAERP CC(C)(C[NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260404 545882439 /nfs/dbraw/zinc/88/24/39/545882439.db2.gz RGDKOSMBAUWLHN-UHFFFAOYSA-N 2 0 251.334 0.341 10 0 CCAERP C[NH+](C)CC(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263444 545883734 /nfs/dbraw/zinc/88/37/34/545883734.db2.gz HANYALCKWOLUQG-YDHLFZDLSA-N 2 0 265.401 0.929 10 0 CCAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092954350 544535815 /nfs/dbraw/zinc/53/58/15/544535815.db2.gz AGMANHAXDRNZEA-XQQFMLRXSA-N 2 0 251.374 0.681 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000136424554 544639480 /nfs/dbraw/zinc/63/94/80/544639480.db2.gz UCIHOSYFJCJKRI-CABCVRRESA-N 2 0 298.475 0.748 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250341907 544921623 /nfs/dbraw/zinc/92/16/23/544921623.db2.gz DAAQIIHFTSLLLS-YNEHKIRRSA-N 2 0 253.390 0.914 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000262188815 544941668 /nfs/dbraw/zinc/94/16/68/544941668.db2.gz YAQCJEWZHDVNJO-GXTWGEPZSA-N 2 0 268.401 0.896 10 0 CCAERP CC(=O)NCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862707 277029749 /nfs/dbraw/zinc/02/97/49/277029749.db2.gz LHBBWHIIRMVBEV-CYBMUJFWSA-N 2 0 285.432 0.537 10 0 CCAERP CC[NH+](CC)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176865731 279086357 /nfs/dbraw/zinc/08/63/57/279086357.db2.gz JEVUVWNMYAGAIP-AWEZNQCLSA-N 2 0 299.459 0.879 10 0 CCAERP CC[NH+](CC)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176865720 279086485 /nfs/dbraw/zinc/08/64/85/279086485.db2.gz JEVUVWNMYAGAIP-CQSZACIVSA-N 2 0 299.459 0.879 10 0 CCAERP CC(C)C[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000164400909 279158090 /nfs/dbraw/zinc/15/80/90/279158090.db2.gz SVIDZWMDEKINFE-WCQYABFASA-N 2 0 255.406 0.934 10 0 CCAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747279 280081953 /nfs/dbraw/zinc/08/19/53/280081953.db2.gz GTHJNYUBENBCRW-ZDUSSCGKSA-N 2 0 251.374 0.825 10 0 CCAERP [NH3+]C[C@@H]1CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000333649263 295252220 /nfs/dbraw/zinc/25/22/20/295252220.db2.gz VNWRDDTUUYFHKJ-AWEZNQCLSA-N 2 0 280.416 0.994 10 0 CCAERP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248592679 295277996 /nfs/dbraw/zinc/27/79/96/295277996.db2.gz HLRFVKAQKVJCRW-IHRRRGAJSA-N 2 0 259.353 0.955 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000335394075 295627550 /nfs/dbraw/zinc/62/75/50/295627550.db2.gz DTKRDWVDLYQIDQ-WCQYABFASA-N 2 0 266.389 0.522 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000389132467 545086371 /nfs/dbraw/zinc/08/63/71/545086371.db2.gz FKBJVLJKAMRXQB-GFCCVEGCSA-N 2 0 269.389 0.342 10 0 CCAERP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051116517 519814448 /nfs/dbraw/zinc/81/44/48/519814448.db2.gz JESJWDKXTFJQLQ-NSHDSACASA-N 2 0 265.361 0.683 10 0 CCAERP CC[NH+](CC)CCCNS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049641716 520621533 /nfs/dbraw/zinc/62/15/33/520621533.db2.gz KAGIQUVPXPGASP-LBPRGKRZSA-N 2 0 277.434 0.390 10 0 CCAERP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000183526057 522308531 /nfs/dbraw/zinc/30/85/31/522308531.db2.gz DBPGYMOCYRYBDV-NSHDSACASA-N 2 0 262.357 0.924 10 0 CCAERP CC[C@@H](C)[C@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643119 522363527 /nfs/dbraw/zinc/36/35/27/522363527.db2.gz GHVAXYOMYSZWGN-KGLIPLIRSA-N 2 0 256.438 0.539 10 0 CCAERP CN(CC[NH2+]C1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000062767743 522863793 /nfs/dbraw/zinc/86/37/93/522863793.db2.gz GMXFJZPAYOEYJV-CQSZACIVSA-N 2 0 255.406 0.781 10 0 CCAERP CN(CC[NH2+]C1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000062767742 522865220 /nfs/dbraw/zinc/86/52/20/522865220.db2.gz GMXFJZPAYOEYJV-AWEZNQCLSA-N 2 0 255.406 0.781 10 0 CCAERP C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055136306 524266606 /nfs/dbraw/zinc/26/66/06/524266606.db2.gz RIPAFWCVBDTQQN-FDYHWXHSSA-N 2 0 253.390 0.960 10 0 CCAERP [NH3+]C[C@@]1([C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000669377314 545206208 /nfs/dbraw/zinc/20/62/08/545206208.db2.gz MGLYWXSENOHVKE-HOTGVXAUSA-N 2 0 276.380 0.989 10 0 CCAERP CC(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675079956 545321270 /nfs/dbraw/zinc/32/12/70/545321270.db2.gz KEIXPKXIUPDHLS-XJFOESAGSA-N 2 0 256.390 0.893 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]12 ZINC000307953687 624823302 /nfs/dbraw/zinc/82/33/02/624823302.db2.gz YBZFXXSRNYAAME-ZYUZMQFOSA-N 2 0 252.280 0.969 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000111270870 349769455 /nfs/dbraw/zinc/76/94/55/349769455.db2.gz RCLQUBSNYUMVQM-CHWSQXEVSA-N 2 0 253.390 0.834 10 0 CCAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261611464 137012228 /nfs/dbraw/zinc/01/22/28/137012228.db2.gz BHUHXAUHBRWEPL-KGLIPLIRSA-N 2 0 283.416 0.731 10 0 CCAERP CC[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261833441 137022041 /nfs/dbraw/zinc/02/20/41/137022041.db2.gz YYWBMXPAXYCQMQ-CQSZACIVSA-N 3 0 296.459 0.646 10 0 CCAERP COc1ccc([C@H](C)C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263142261 137059168 /nfs/dbraw/zinc/05/91/68/137059168.db2.gz CJWLYTRKNFKZQU-OSAQELSMSA-N 2 0 264.369 0.969 10 0 CCAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1C[NH2+]C1 ZINC000263335103 137064366 /nfs/dbraw/zinc/06/43/66/137064366.db2.gz WBMOKKDYILRGNE-OAHLLOKOSA-N 2 0 287.407 0.887 10 0 CCAERP CC(C)[NH2+]CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000002010629 347963742 /nfs/dbraw/zinc/96/37/42/347963742.db2.gz HLWSVWOWXFBYNX-AWEZNQCLSA-N 2 0 261.369 0.815 10 0 CCAERP C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCCCCC2)C[C@H]1CO ZINC000065497738 348719800 /nfs/dbraw/zinc/71/98/00/348719800.db2.gz HSGVPPFGNHCPCF-KGLIPLIRSA-N 2 0 283.416 0.434 10 0 CCAERP CCNC(=O)CC[NH+]1CCC(C[NH2+]C2CC2)CC1 ZINC000104418542 185994651 /nfs/dbraw/zinc/99/46/51/185994651.db2.gz BHBWPJIASHHZLA-UHFFFAOYSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C1CC1 ZINC000171907342 350942104 /nfs/dbraw/zinc/94/21/04/350942104.db2.gz IRVKPXIJELSGGI-TZMCWYRMSA-N 2 0 280.416 0.959 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747839 351244619 /nfs/dbraw/zinc/24/46/19/351244619.db2.gz CIQPJKUDVRXGLZ-GFCCVEGCSA-N 2 0 251.374 0.825 10 0 CCAERP O=C(NC1CC[NH+](C2CC2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188706532 351620089 /nfs/dbraw/zinc/62/00/89/351620089.db2.gz URSXMPCAXIZXPX-UHFFFAOYSA-N 2 0 289.383 0.412 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCSCC1 ZINC000230936970 352122676 /nfs/dbraw/zinc/12/26/76/352122676.db2.gz IAVQCNXEURYJML-LBPRGKRZSA-N 2 0 271.430 0.541 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CCO1 ZINC000246294760 352360064 /nfs/dbraw/zinc/36/00/64/352360064.db2.gz NOARNQOZQOVVRA-HZSPNIEDSA-N 2 0 295.427 0.826 10 0 CCAERP CN1CCO[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000246410420 352365416 /nfs/dbraw/zinc/36/54/16/352365416.db2.gz RZPZWTJKORSGEH-HZSPNIEDSA-N 2 0 296.415 0.195 10 0 CCAERP COCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246458291 352368092 /nfs/dbraw/zinc/36/80/92/352368092.db2.gz PNIWXZARKADXAD-AWEZNQCLSA-N 2 0 298.431 0.444 10 0 CCAERP COCC[N@H+](C)CCCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247646483 352422717 /nfs/dbraw/zinc/42/27/17/352422717.db2.gz VGCYYYHZJFKUSU-AWEZNQCLSA-N 2 0 298.431 0.444 10 0 CCAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000249012599 352473350 /nfs/dbraw/zinc/47/33/50/352473350.db2.gz ZRAZMERICQKNKT-ZWNOBZJWSA-N 2 0 291.399 0.514 10 0 CCAERP [NH3+][C@@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)C1CC1 ZINC000328655436 354246552 /nfs/dbraw/zinc/24/65/52/354246552.db2.gz YKLJOCADAJLRCB-AAEUAGOBSA-N 2 0 251.374 0.857 10 0 CCAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335038747 354945001 /nfs/dbraw/zinc/94/50/01/354945001.db2.gz SDAHWKCCCBVOEM-NEPJUHHUSA-N 2 0 251.374 0.811 10 0 CCAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000336391070 355114412 /nfs/dbraw/zinc/11/44/12/355114412.db2.gz RPDWCGNSYPKLPG-OCCSQVGLSA-N 2 0 278.400 0.713 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000333502183 283276793 /nfs/dbraw/zinc/27/67/93/283276793.db2.gz HWCSXTYRSXNZOM-SDDRHHMPSA-N 2 0 299.382 0.638 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)C[NH+](C)CCOC ZINC000380790168 357706456 /nfs/dbraw/zinc/70/64/56/357706456.db2.gz IBOCGHJXEMANHJ-GJZGRUSLSA-N 2 0 287.448 0.342 10 0 CCAERP C[C@H]1C[N@H+](CCn2nc3ccccn3c2=O)C[C@@H]1C[NH3+] ZINC000631841655 370708814 /nfs/dbraw/zinc/70/88/14/370708814.db2.gz NMUJTXJRWBENQE-RYUDHWBXSA-N 2 0 275.356 0.023 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178746934 296110457 /nfs/dbraw/zinc/11/04/57/296110457.db2.gz MSMMNVYPAGEAFL-LBPRGKRZSA-N 2 0 251.374 0.683 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638109293 374675967 /nfs/dbraw/zinc/67/59/67/374675967.db2.gz TUDLYLFIIQNSTK-UMVBOHGHSA-N 2 0 283.416 0.696 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638114974 374680346 /nfs/dbraw/zinc/68/03/46/374680346.db2.gz DNTSAMDYTDRXFW-AAEUAGOBSA-N 2 0 251.374 0.681 10 0 CCAERP COC[C@]1(C(=O)N2CC[C@H]([NH+](C)C)C2)CCCC[NH2+]1 ZINC000638276198 374880183 /nfs/dbraw/zinc/88/01/83/374880183.db2.gz RJYQGSVYNBJASP-JSGCOSHPSA-N 2 0 269.389 0.308 10 0 CCAERP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000189208873 284764812 /nfs/dbraw/zinc/76/48/12/284764812.db2.gz KKFFZVOEDNDIOB-SDDRHHMPSA-N 2 0 257.378 0.210 10 0 CCAERP C[C@@H]1CC2(CN1C(=O)[C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC000335274598 296294259 /nfs/dbraw/zinc/29/42/59/296294259.db2.gz CZPYVMIQAZPCMC-OLZOCXBDSA-N 2 0 265.401 0.977 10 0 CCAERP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000136110544 284884321 /nfs/dbraw/zinc/88/43/21/284884321.db2.gz GTKGLXOONAUHCD-CYBMUJFWSA-N 2 0 253.390 0.881 10 0 CCAERP CCC[C@H](C(=O)NCC[N@H+](CC)CCO)[NH+](C)C ZINC000183976108 388767042 /nfs/dbraw/zinc/76/70/42/388767042.db2.gz BHQVPTFWEDIGMD-GFCCVEGCSA-N 2 0 259.394 0.147 10 0 CCAERP O=C(C1C[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000262167262 389282203 /nfs/dbraw/zinc/28/22/03/389282203.db2.gz BWISTQAGUKPFBX-RISCZKNCSA-N 2 0 263.385 0.681 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000263272181 389298838 /nfs/dbraw/zinc/29/88/38/389298838.db2.gz SIGYDXDJLRNQPJ-SYLRKERUSA-N 2 0 252.358 0.114 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000170830562 389464041 /nfs/dbraw/zinc/46/40/41/389464041.db2.gz LZGKUHRZGXBAFF-GXTWGEPZSA-N 2 0 280.416 0.816 10 0 CCAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000178747218 389619675 /nfs/dbraw/zinc/61/96/75/389619675.db2.gz RGUDFTLXOPHCRQ-RYUDHWBXSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000408094433 389826793 /nfs/dbraw/zinc/82/67/93/389826793.db2.gz HEVXKQWOIOHXGP-AGIUHOORSA-N 2 0 289.445 0.198 10 0 CCAERP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649298101 390558594 /nfs/dbraw/zinc/55/85/94/390558594.db2.gz QNSLYKSRAGPNCR-WFASDCNBSA-N 2 0 281.400 0.356 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]12 ZINC000567270823 390685767 /nfs/dbraw/zinc/68/57/67/390685767.db2.gz PZRFSMPSUOAFOO-AAVRWANBSA-N 2 0 254.374 0.851 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000300408876 411743251 /nfs/dbraw/zinc/74/32/51/411743251.db2.gz DEKSNLSHDPMSTP-NTZNESFSSA-N 2 0 253.390 0.960 10 0 CCAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000020303229 171140597 /nfs/dbraw/zinc/14/05/97/171140597.db2.gz PSTRSOWMSLSDNM-NWDGAFQWSA-N 2 0 286.420 0.931 10 0 CCAERP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[NH+]2CCC1CC2 ZINC000653150642 412243021 /nfs/dbraw/zinc/24/30/21/412243021.db2.gz IWPFAEBXRCOQER-GHMZBOCLSA-N 2 0 291.317 0.691 10 0 CCAERP C[NH+]1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000035429618 172198273 /nfs/dbraw/zinc/19/82/73/172198273.db2.gz LOWUQNJRRBBICU-UHFFFAOYSA-N 2 0 251.359 0.606 10 0 CCAERP C[C@H](O)C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256961 414700573 /nfs/dbraw/zinc/70/05/73/414700573.db2.gz KQUPIWUTWFLUDO-WCQYABFASA-N 2 0 254.374 0.600 10 0 CCAERP C[C@@H](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[NH+](C)C ZINC000662632309 414735516 /nfs/dbraw/zinc/73/55/16/414735516.db2.gz BMRJAGRIRKLXKS-IVZWLZJFSA-N 2 0 281.322 0.841 10 0 CCAERP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CN[C@@H]2CC[NH2+]C2)C1 ZINC000665282779 415587144 /nfs/dbraw/zinc/58/71/44/415587144.db2.gz BNHPVEZWMLMIFL-SJORKVTESA-N 2 0 288.439 0.754 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000071189607 176065263 /nfs/dbraw/zinc/06/52/63/176065263.db2.gz JSGJNLDXQHDESY-OCCSQVGLSA-N 2 0 253.390 0.786 10 0 CCAERP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000234266337 544867746 /nfs/dbraw/zinc/86/77/46/544867746.db2.gz DERGZIFLEURHJQ-NWDGAFQWSA-N 2 0 257.378 0.056 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000250179105 544921593 /nfs/dbraw/zinc/92/15/93/544921593.db2.gz TVYOMKVAMMRXTI-KBPBESRZSA-N 2 0 283.416 0.542 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250659489 544924217 /nfs/dbraw/zinc/92/42/17/544924217.db2.gz PFQMAKIEJGTLKO-MBNYWOFBSA-N 2 0 265.401 0.962 10 0 CCAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369149 277403011 /nfs/dbraw/zinc/40/30/11/277403011.db2.gz NNAWNJQKEMGOFF-STQMWFEESA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000343710995 288090994 /nfs/dbraw/zinc/09/09/94/288090994.db2.gz KKFTYOZCCJCTTG-MCIONIFRSA-N 2 0 255.406 0.373 10 0 CCAERP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000262418830 289278229 /nfs/dbraw/zinc/27/82/29/289278229.db2.gz ROBYOZRHPJRWPS-JSGCOSHPSA-N 2 0 265.401 0.929 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000333777737 290098540 /nfs/dbraw/zinc/09/85/40/290098540.db2.gz DFAMYEZFXIRXFY-HZSPNIEDSA-N 2 0 298.431 0.225 10 0 CCAERP CS[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1[NH+](C)C ZINC000262565907 295643870 /nfs/dbraw/zinc/64/38/70/295643870.db2.gz LFTIOAUNFWKXDB-NWDGAFQWSA-N 2 0 271.430 0.490 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333475182 297539244 /nfs/dbraw/zinc/53/92/44/297539244.db2.gz BJRRPBQKKSNBQJ-LOWDOPEQSA-N 2 0 266.389 0.378 10 0 CCAERP C[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000333636534 300143410 /nfs/dbraw/zinc/14/34/10/300143410.db2.gz TXDCKSOSFFGOPF-AAEUAGOBSA-N 2 0 268.405 0.707 10 0 CCAERP CC[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000394041186 329095793 /nfs/dbraw/zinc/09/57/93/329095793.db2.gz FCJIGLUKOCYLKV-MJBXVCDLSA-N 2 0 255.406 0.468 10 0 CCAERP CC[NH+]1CCN([C@@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536957106 330383439 /nfs/dbraw/zinc/38/34/39/330383439.db2.gz BIPWCZPGEJBKIG-KGLIPLIRSA-N 2 0 297.443 0.944 10 0 CCAERP CCCN(CC[C@@H]([NH2+]C(C)C)C(N)=O)CC[NH+](C)C ZINC000062527953 521669887 /nfs/dbraw/zinc/66/98/87/521669887.db2.gz KTCVRMALZPLJIL-CYBMUJFWSA-N 2 0 272.437 0.502 10 0 CCAERP CCC[NH+]1CCC(NC(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000164398217 519846244 /nfs/dbraw/zinc/84/62/44/519846244.db2.gz KEITXAJJASKHMD-LLVKDONJSA-N 2 0 253.390 0.833 10 0 CCAERP CCCC[C@@H]([NH3+])C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645383 521062975 /nfs/dbraw/zinc/06/29/75/521062975.db2.gz QJLYALPAORQSIV-CYBMUJFWSA-N 2 0 270.421 0.210 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051091224 521710720 /nfs/dbraw/zinc/71/07/20/521710720.db2.gz CNYZISLRXBHDHX-JTQLQIEISA-N 2 0 263.345 0.439 10 0 CCAERP C[NH2+]CCS(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000049630456 522013280 /nfs/dbraw/zinc/01/32/80/522013280.db2.gz PRJSKEQQNFQVEJ-LLVKDONJSA-N 2 0 265.423 0.102 10 0 CCAERP C[C@H]([NH3+])[C@H](N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642416 524851738 /nfs/dbraw/zinc/85/17/38/524851738.db2.gz GRTSNEREEKBFJN-KBPBESRZSA-N 2 0 270.465 0.928 10 0 CCAERP C[C@H]1[C@H](C(=O)N2CCC[N@H+](C)CC2)CCC[C@@H]1[NH3+] ZINC000055124322 525097468 /nfs/dbraw/zinc/09/74/68/525097468.db2.gz KIXWBZXPVKLDFZ-XQQFMLRXSA-N 2 0 253.390 0.914 10 0 CCAERP Cn1cc(CN2CC[NH+](CCCC[NH3+])CC2)cn1 ZINC000050539187 527204317 /nfs/dbraw/zinc/20/43/17/527204317.db2.gz JCCNCMSHHIMMEY-UHFFFAOYSA-N 2 0 251.378 0.277 10 0 CCAERP CCC(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCCC1 ZINC000262424892 535143950 /nfs/dbraw/zinc/14/39/50/535143950.db2.gz RADLMWUITLMJAJ-ILXRZTDVSA-N 2 0 297.443 0.726 10 0 CCAERP CC1(C)CC2(CC(C)(C)[NH2+]1)NCCC1(C[NH2+]C1)O2 ZINC000757148299 581680743 /nfs/dbraw/zinc/68/07/43/581680743.db2.gz MZIGDTMVOHCUGD-UHFFFAOYSA-N 2 0 253.390 0.975 10 0 CCAERP O[C@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000311254038 637295391 /nfs/dbraw/zinc/29/53/91/637295391.db2.gz QEEVCZXMWCGOST-CABCVRRESA-N 2 0 267.417 0.613 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091542571 349466348 /nfs/dbraw/zinc/46/63/48/349466348.db2.gz VYZWPMVRMZCCOW-STQMWFEESA-N 2 0 253.390 0.914 10 0 CCAERP CC(C)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000091545117 349466360 /nfs/dbraw/zinc/46/63/60/349466360.db2.gz ISFOKWHWBCYASY-KKUMJFAQSA-N 2 0 296.459 0.502 10 0 CCAERP C[NH+](C)C[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000245704269 282140498 /nfs/dbraw/zinc/14/04/98/282140498.db2.gz YBXSXQNMWFETMC-KGLIPLIRSA-N 2 0 255.406 0.733 10 0 CCAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C1C[NH2+]C1 ZINC000262467607 137044039 /nfs/dbraw/zinc/04/40/39/137044039.db2.gz XYHXRJFTFMSWSQ-UHFFFAOYSA-N 2 0 279.359 0.935 10 0 CCAERP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262465775 137044130 /nfs/dbraw/zinc/04/41/30/137044130.db2.gz WHDXTKCVSLGJLC-KGLIPLIRSA-N 2 0 283.416 0.338 10 0 CCAERP C[C@@H](C[NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000262479126 137044654 /nfs/dbraw/zinc/04/46/54/137044654.db2.gz ZESZZAJEUFAQGZ-RYUDHWBXSA-N 2 0 269.389 0.293 10 0 CCAERP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000310919056 137072883 /nfs/dbraw/zinc/07/28/83/137072883.db2.gz GVBIRJKJMAEACL-OCCSQVGLSA-N 2 0 255.406 0.325 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000040833049 348244270 /nfs/dbraw/zinc/24/42/70/348244270.db2.gz RMROPFQIABDPFD-ZIAGYGMSSA-N 2 0 283.416 0.602 10 0 CCAERP CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000104204209 185929808 /nfs/dbraw/zinc/92/98/08/185929808.db2.gz OMLXHDLLFXTJSA-UHFFFAOYSA-N 2 0 271.386 0.327 10 0 CCAERP CC[C@H]1CN(C(=O)C[NH+](CC)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000153081924 350551964 /nfs/dbraw/zinc/55/19/64/350551964.db2.gz PAGIHLHUWHFRPW-KGLIPLIRSA-N 2 0 297.443 0.774 10 0 CCAERP CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[NH+](C)C ZINC000162127273 350736375 /nfs/dbraw/zinc/73/63/75/350736375.db2.gz NGBOPJWMLRRZNI-CABCVRRESA-N 2 0 298.475 0.716 10 0 CCAERP COCCN1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000168026154 350818353 /nfs/dbraw/zinc/81/83/53/350818353.db2.gz KUPKFDIFENGMDP-ZDUSSCGKSA-N 2 0 283.416 0.555 10 0 CCAERP O=C(N[C@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccn2c[nH+]cc2c1 ZINC000168311120 350823190 /nfs/dbraw/zinc/82/31/90/350823190.db2.gz INNWBKPIYSNQSN-BIMULSAOSA-N 2 0 256.309 0.815 10 0 CCAERP C[C@@H](C(=O)NC[C@H]1CN(C)CCO1)[NH+]1CCCCCC1 ZINC000175795049 351143696 /nfs/dbraw/zinc/14/36/96/351143696.db2.gz CLPPWQVVWBWLLA-KBPBESRZSA-N 2 0 283.416 0.698 10 0 CCAERP C[NH2+]CCCC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000178726997 351242514 /nfs/dbraw/zinc/24/25/14/351242514.db2.gz JMPVMXDPWBFBKM-CYBMUJFWSA-N 2 0 283.416 0.698 10 0 CCAERP CC(C)[N@@H+](C)CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246597178 352375628 /nfs/dbraw/zinc/37/56/28/352375628.db2.gz BDZAQLCLAJCRJV-OLZOCXBDSA-N 2 0 271.405 0.240 10 0 CCAERP CN1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247061646 352395944 /nfs/dbraw/zinc/39/59/44/352395944.db2.gz OCGWSRPBZRTPFU-MGPQQGTHSA-N 2 0 298.431 0.489 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250229461 352503569 /nfs/dbraw/zinc/50/35/69/352503569.db2.gz FYASOLXPIYQHIS-OLZOCXBDSA-N 2 0 253.390 0.834 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252601345 352519995 /nfs/dbraw/zinc/51/99/95/352519995.db2.gz MHXNRLRSBODUSD-XQQFMLRXSA-N 2 0 253.390 0.927 10 0 CCAERP O=C(C[C@H]1C[NH2+]CCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328642934 354244427 /nfs/dbraw/zinc/24/44/27/354244427.db2.gz RFHLHXDOQOHCFQ-AAEUAGOBSA-N 2 0 267.373 0.108 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333814219 354798796 /nfs/dbraw/zinc/79/87/96/354798796.db2.gz JWFLEZFUEIIAAB-NSHDSACASA-N 2 0 252.362 0.300 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167399697 283858136 /nfs/dbraw/zinc/85/81/36/283858136.db2.gz KTMGLEJSTYDNPC-GJZGRUSLSA-N 2 0 295.427 0.699 10 0 CCAERP C[C@@H](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[NH+](C)C ZINC000634771594 372222011 /nfs/dbraw/zinc/22/20/11/372222011.db2.gz AINOVMBOCRMBGR-OBJOEFQTSA-N 2 0 253.390 0.833 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771619 372222221 /nfs/dbraw/zinc/22/22/21/372222221.db2.gz BHOQUHWRVQSPDM-YDHLFZDLSA-N 2 0 265.401 0.977 10 0 CCAERP C[NH+](C)CCOCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771426 372222350 /nfs/dbraw/zinc/22/23/50/372222350.db2.gz UZPJDOHPQRSQIS-JSGCOSHPSA-N 2 0 269.389 0.071 10 0 CCAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000333311583 205209408 /nfs/dbraw/zinc/20/94/08/205209408.db2.gz RXHVTOBHZABUGQ-QLFBSQMISA-N 2 0 295.427 0.731 10 0 CCAERP COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC[NH2+]1 ZINC000638109203 374676307 /nfs/dbraw/zinc/67/63/07/374676307.db2.gz SKSXZGRMBAYPSD-UKRRQHHQSA-N 2 0 281.400 0.452 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188774762 388940927 /nfs/dbraw/zinc/94/09/27/388940927.db2.gz HVQJOFQRNMJRGH-GHMZBOCLSA-N 2 0 289.383 0.364 10 0 CCAERP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000237602073 389191771 /nfs/dbraw/zinc/19/17/71/389191771.db2.gz CHBFCRCDWRBWBG-JSGCOSHPSA-N 2 0 281.400 0.450 10 0 CCAERP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000245617381 389214149 /nfs/dbraw/zinc/21/41/49/389214149.db2.gz MXJWJZLZIDAFTF-GJZGRUSLSA-N 2 0 285.432 0.094 10 0 CCAERP O[C@@]1(CNC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422972816 389513341 /nfs/dbraw/zinc/51/33/41/389513341.db2.gz AKTAMLSTNVPJKO-QGZVFWFLSA-N 2 0 289.423 0.965 10 0 CCAERP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000174922778 389532655 /nfs/dbraw/zinc/53/26/55/389532655.db2.gz PDVYRDNJXNFCLQ-HNNXBMFYSA-N 2 0 297.443 0.896 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000335284571 389545903 /nfs/dbraw/zinc/54/59/03/389545903.db2.gz FBUOHTHQUKYIQC-ZYHUDNBSSA-N 2 0 252.362 0.084 10 0 CCAERP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000408094434 389826438 /nfs/dbraw/zinc/82/64/38/389826438.db2.gz HEVXKQWOIOHXGP-FRRDWIJNSA-N 2 0 289.445 0.198 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000647971241 390234653 /nfs/dbraw/zinc/23/46/53/390234653.db2.gz ZQONXQGEKJVOPZ-UONOGXRCSA-N 2 0 257.422 0.571 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649328386 390585889 /nfs/dbraw/zinc/58/58/89/390585889.db2.gz UYPIRBNIXNSZGH-ZFWWWQNUSA-N 2 0 283.416 0.698 10 0 CCAERP COC[C@@]1(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000649319602 390576674 /nfs/dbraw/zinc/57/66/74/390576674.db2.gz IJUONTUGMNDRNN-SMDDNHRTSA-N 2 0 269.389 0.354 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616572883 397598567 /nfs/dbraw/zinc/59/85/67/397598567.db2.gz XIISJYHJXPFNNP-ZIAGYGMSSA-N 2 0 261.369 0.891 10 0 CCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129614227 411719675 /nfs/dbraw/zinc/71/96/75/411719675.db2.gz NUXWIXKCLZWBGQ-AWEZNQCLSA-N 2 0 296.459 0.661 10 0 CCAERP CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000019426371 170795282 /nfs/dbraw/zinc/79/52/82/170795282.db2.gz HCLMGVDSRCOVAJ-CHWSQXEVSA-N 2 0 253.390 0.929 10 0 CCAERP C[C@H]([NH3+])c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000020187800 171052638 /nfs/dbraw/zinc/05/26/38/171052638.db2.gz UVZAMOMZLNSUNE-JTQLQIEISA-N 2 0 271.386 0.546 10 0 CCAERP C[NH+](C)CCCNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022222319 171378634 /nfs/dbraw/zinc/37/86/34/171378634.db2.gz KHRCGKHOKJEGMD-UHFFFAOYSA-N 2 0 271.386 0.375 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[NH+](C)C ZINC000653112540 412224266 /nfs/dbraw/zinc/22/42/66/412224266.db2.gz ALBWIOYOUWAPJD-IWSPIJDZSA-N 2 0 267.295 0.451 10 0 CCAERP C[NH+](C)CCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653153779 412245218 /nfs/dbraw/zinc/24/52/18/412245218.db2.gz ZTCCTNBDDIMHNM-NXEZZACHSA-N 2 0 297.321 0.079 10 0 CCAERP C[NH+](C)CCCNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042928 174047474 /nfs/dbraw/zinc/04/74/74/174047474.db2.gz ACNHUEKTWKYQGY-AWEZNQCLSA-N 2 0 282.432 0.271 10 0 CCAERP COCCOCCOCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000662267697 414703038 /nfs/dbraw/zinc/70/30/38/414703038.db2.gz XSTBUJWWEPKQCY-SOUVJXGZSA-N 2 0 286.416 0.725 10 0 CCAERP C[C@@H](CCNC(=O)C1(C[NH3+])CCOCC1)[NH+](C)C ZINC000662857631 414848790 /nfs/dbraw/zinc/84/87/90/414848790.db2.gz BPRLQPKIOTWYCS-NSHDSACASA-N 2 0 257.378 0.198 10 0 CCAERP COC[C@@]1(C(=O)NCC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662857382 414849789 /nfs/dbraw/zinc/84/97/89/414849789.db2.gz APOGZVBSGHYUJN-DGCLKSJQSA-N 2 0 257.378 0.211 10 0 CCAERP [NH3+][C@@H](CNc1ccnn1C1C[NH2+]C1)CC(F)(F)F ZINC000725258463 545882606 /nfs/dbraw/zinc/88/26/06/545882606.db2.gz PWNFSFDARDEAMN-SSDOTTSWSA-N 2 0 263.267 0.719 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000098061759 544556525 /nfs/dbraw/zinc/55/65/25/544556525.db2.gz CWZFKDSDZSZHOC-GFCCVEGCSA-N 2 0 269.389 0.308 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000168054404 544728933 /nfs/dbraw/zinc/72/89/33/544728933.db2.gz LGGWLLCFLRTUIX-MCIONIFRSA-N 2 0 283.416 0.683 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333493200 545039723 /nfs/dbraw/zinc/03/97/23/545039723.db2.gz DMZHDLWUIDHBMZ-NWBUJAPZSA-N 2 0 266.389 0.506 10 0 CCAERP C[C@@H]1CN(C(=O)NC2(C)CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000334958839 287898555 /nfs/dbraw/zinc/89/85/55/287898555.db2.gz ZCOMTUBRDNDZSG-DGCLKSJQSA-N 2 0 268.405 0.755 10 0 CCAERP CC[N@H+](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000152722463 279051314 /nfs/dbraw/zinc/05/13/14/279051314.db2.gz YNJVTTHULGEWHF-ZDUSSCGKSA-N 2 0 269.389 0.260 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)C[NH+](C)C1CC1 ZINC000311688562 279328046 /nfs/dbraw/zinc/32/80/46/279328046.db2.gz KIWWWDQFVBXETR-GJZGRUSLSA-N 2 0 269.433 0.858 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000334885798 279480983 /nfs/dbraw/zinc/48/09/83/279480983.db2.gz VHSCUTOCVMCMLX-WCQYABFASA-N 2 0 268.405 0.990 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334921715 288317888 /nfs/dbraw/zinc/31/78/88/288317888.db2.gz OMFKNNOVJMKYEC-GHMZBOCLSA-N 2 0 252.362 0.226 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000246946994 290085024 /nfs/dbraw/zinc/08/50/24/290085024.db2.gz JDNHYBDYOJKKDM-JSGCOSHPSA-N 2 0 283.416 0.242 10 0 CCAERP [NH3+]C1CCC(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000394391675 545088134 /nfs/dbraw/zinc/08/81/34/545088134.db2.gz LAVDHELXGCBIBB-RUXDESIVSA-N 2 0 280.416 0.010 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000113579319 300313506 /nfs/dbraw/zinc/31/35/06/300313506.db2.gz VQWDWUCOLVBDKB-GXTWGEPZSA-N 2 0 280.416 0.959 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333482902 300575225 /nfs/dbraw/zinc/57/52/25/300575225.db2.gz CHHZNYYTPPPIKJ-FVCCEPFGSA-N 2 0 266.389 0.663 10 0 CCAERP CC[NH+](CC)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567611 520737270 /nfs/dbraw/zinc/73/72/70/520737270.db2.gz DZXUCUJOYHAONX-HZSPNIEDSA-N 2 0 255.406 0.515 10 0 CCAERP CCC(CC)[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643167 521602612 /nfs/dbraw/zinc/60/26/12/521602612.db2.gz VZWRAADWMSTAIS-OAHLLOKOSA-N 2 0 270.465 0.929 10 0 CCAERP C[NH+](C)CCN1CCN(C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000061653810 521765480 /nfs/dbraw/zinc/76/54/80/521765480.db2.gz ZXGRIUPEWJVBLH-LSDHHAIUSA-N 2 0 268.449 0.683 10 0 CCAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+](CCOC)CCOC)O1 ZINC000052571477 522059378 /nfs/dbraw/zinc/05/93/78/522059378.db2.gz YRRMOKPIYXTVQL-QWHCGFSZSA-N 2 0 260.378 0.348 10 0 CCAERP CC[C@H](CC[NH3+])N1CC[NH+](CCCCCO)CC1 ZINC000051020303 522127132 /nfs/dbraw/zinc/12/71/32/522127132.db2.gz PEODGBKGACCXLA-CQSZACIVSA-N 2 0 257.422 0.894 10 0 CCAERP C[NH+](C)CC1CC[NH+](CCn2cc(C[NH3+])nn2)CC1 ZINC000052515351 524049592 /nfs/dbraw/zinc/04/95/92/524049592.db2.gz QUQSMVPYICGODP-UHFFFAOYSA-N 3 0 266.393 0.010 10 0 CCAERP C[C@@H](C[NH2+]C1CC1)N1CCN(CC[NH+](C)C)CC1 ZINC000061654884 524736702 /nfs/dbraw/zinc/73/67/02/524736702.db2.gz SGBNOELLOSBBMK-ZDUSSCGKSA-N 2 0 254.422 0.306 10 0 CCAERP Cn1ncc(C[NH3+])c1CN1CCC[C@H]([NH+](C)C)C1 ZINC000675055970 545320582 /nfs/dbraw/zinc/32/05/82/545320582.db2.gz FPQYNOJOTCLLFY-LBPRGKRZSA-N 2 0 251.378 0.405 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000136483712 614225258 /nfs/dbraw/zinc/22/52/58/614225258.db2.gz CBXNJPMWCZEMMH-FRRDWIJNSA-N 2 0 269.389 0.339 10 0 CCAERP CN(C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000310958303 623605339 /nfs/dbraw/zinc/60/53/39/623605339.db2.gz AJFADTHUXDOTNU-UONOGXRCSA-N 2 0 255.406 0.517 10 0 CCAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668577 349471620 /nfs/dbraw/zinc/47/16/20/349471620.db2.gz PLNVCFGANSMPCK-WOPDTQHZSA-N 2 0 255.362 0.093 10 0 CCAERP COCC[N@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000113612639 349817712 /nfs/dbraw/zinc/81/77/12/349817712.db2.gz MQBCFLWYADXMIU-UONOGXRCSA-N 2 0 298.431 0.443 10 0 CCAERP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000117045940 349880365 /nfs/dbraw/zinc/88/03/65/349880365.db2.gz OGXVSHPBGKNLQB-GXTWGEPZSA-N 2 0 298.431 0.441 10 0 CCAERP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000262432672 137043383 /nfs/dbraw/zinc/04/33/83/137043383.db2.gz BVDKFQZYYPJBJV-BXUZGUMPSA-N 2 0 295.333 0.746 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000263128125 137058865 /nfs/dbraw/zinc/05/88/65/137058865.db2.gz BLAHNCYJNXUDEC-HIFRSBDPSA-N 2 0 257.337 0.905 10 0 CCAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263121199 137058887 /nfs/dbraw/zinc/05/88/87/137058887.db2.gz AWZRXAQQEPZSHG-UHIISALHSA-N 2 0 295.358 0.713 10 0 CCAERP C[C@H]1C[NH+](CCCCNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263299230 137063342 /nfs/dbraw/zinc/06/33/42/137063342.db2.gz NCHBLXDZJZBOEJ-RYUDHWBXSA-N 2 0 269.389 0.211 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000054308067 348549377 /nfs/dbraw/zinc/54/93/77/348549377.db2.gz XUEJERJTMDSNLI-CQSZACIVSA-N 2 0 265.401 0.930 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000070542349 348892771 /nfs/dbraw/zinc/89/27/71/348892771.db2.gz XUYKCKLLMIFQFT-ZDUSSCGKSA-N 2 0 261.369 0.964 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129688671 350220477 /nfs/dbraw/zinc/22/04/77/350220477.db2.gz UBLJCOCOLYKLPI-CQSZACIVSA-N 2 0 296.459 0.517 10 0 CCAERP C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000132964790 350321475 /nfs/dbraw/zinc/32/14/75/350321475.db2.gz HQDCUBYOODGAMA-STQMWFEESA-N 2 0 282.432 0.269 10 0 CCAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000169285209 350837519 /nfs/dbraw/zinc/83/75/19/350837519.db2.gz UXNQOZROCJVART-KBPBESRZSA-N 2 0 281.400 0.437 10 0 CCAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000123238749 187079550 /nfs/dbraw/zinc/07/95/50/187079550.db2.gz QPTKIVSPBWRTBA-MCIONIFRSA-N 2 0 255.406 0.779 10 0 CCAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C1CC1 ZINC000247478027 352416731 /nfs/dbraw/zinc/41/67/31/352416731.db2.gz IRVKPXIJELSGGI-JSGCOSHPSA-N 2 0 280.416 0.959 10 0 CCAERP CC[N@H+](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000248629728 352450177 /nfs/dbraw/zinc/45/01/77/352450177.db2.gz OTVXNPAAFISBOX-DRZSPHRISA-N 2 0 251.374 0.666 10 0 CCAERP O=C(C[NH2+]C[C@@H]1CCCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328634701 354242972 /nfs/dbraw/zinc/24/29/72/354242972.db2.gz MYBZYJFHRMQNGS-JSGCOSHPSA-N 2 0 281.400 0.498 10 0 CCAERP C[NH+]1CCC(CCNC(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000333640873 354767819 /nfs/dbraw/zinc/76/78/19/354767819.db2.gz UIUHUJNBKTYNPQ-ZDUSSCGKSA-N 2 0 268.405 0.851 10 0 CCAERP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000333655345 354770867 /nfs/dbraw/zinc/77/08/67/354770867.db2.gz WJYLFRWQKGMDCL-GFCCVEGCSA-N 2 0 268.405 0.912 10 0 CCAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824577 354800404 /nfs/dbraw/zinc/80/04/04/354800404.db2.gz RPTYFSZDWUPMKN-RFGFWPKPSA-N 2 0 298.431 0.081 10 0 CCAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335050717 354949970 /nfs/dbraw/zinc/94/99/70/354949970.db2.gz DXASNVDXJUQGIA-LBPRGKRZSA-N 2 0 251.374 0.825 10 0 CCAERP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000333625401 283147646 /nfs/dbraw/zinc/14/76/46/283147646.db2.gz FTLNDEMBGBRDRH-NWDGAFQWSA-N 2 0 266.389 0.603 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000563055807 291185771 /nfs/dbraw/zinc/18/57/71/291185771.db2.gz UPTSUGPKINYORD-NWDGAFQWSA-N 2 0 257.353 0.535 10 0 CCAERP CCOC(=O)c1ccc([C@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616636695 365396949 /nfs/dbraw/zinc/39/69/49/365396949.db2.gz NILMNDJBWWNHOH-CQSZACIVSA-N 2 0 277.368 0.768 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@@H](c2cccc3ccnnc32)C1 ZINC000616654753 365409819 /nfs/dbraw/zinc/40/98/19/365409819.db2.gz PBLMNISCCHKWAK-CYBMUJFWSA-N 2 0 257.341 0.535 10 0 CCAERP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC[NH2+]1 ZINC000252769035 291362166 /nfs/dbraw/zinc/36/21/66/291362166.db2.gz HHABURYOWDPAAR-GZBFAFLISA-N 2 0 281.400 0.498 10 0 CCAERP C[C@]12C[NH2+]C[C@@]1(C)CN(c1cc[nH+]cc1C(N)=O)C2 ZINC000630540185 370158017 /nfs/dbraw/zinc/15/80/17/370158017.db2.gz VXJJCCUBVMYURP-OKILXGFUSA-N 2 0 260.341 0.616 10 0 CCAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000638237342 374830570 /nfs/dbraw/zinc/83/05/70/374830570.db2.gz QWRVLDBSVNALCO-NEPJUHHUSA-N 2 0 251.374 0.811 10 0 CCAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000638979767 375493485 /nfs/dbraw/zinc/49/34/85/375493485.db2.gz HYFOTIPEYUKYME-CYBMUJFWSA-N 2 0 283.416 0.555 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261887381 295272222 /nfs/dbraw/zinc/27/22/22/295272222.db2.gz ZVTFSISSSKIHTN-NTZNESFSSA-N 2 0 251.374 0.714 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000333743403 295312927 /nfs/dbraw/zinc/31/29/27/295312927.db2.gz XXOIBPCYZQMUAS-RVMXOQNASA-N 2 0 266.389 0.507 10 0 CCAERP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000187192398 388870590 /nfs/dbraw/zinc/87/05/90/388870590.db2.gz NJKQJKKAYHNNHR-CYBMUJFWSA-N 2 0 286.420 0.084 10 0 CCAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111684877 389112025 /nfs/dbraw/zinc/11/20/25/389112025.db2.gz UFSOXMRLMGHPOY-OAHLLOKOSA-N 2 0 297.443 0.633 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195132357 389116527 /nfs/dbraw/zinc/11/65/27/389116527.db2.gz JHIYMISTMBDCGE-OLZOCXBDSA-N 2 0 268.405 0.864 10 0 CCAERP C[NH+](C)C[C@@H]1CC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC000133761255 389238748 /nfs/dbraw/zinc/23/87/48/389238748.db2.gz SPVWHBAPQISBGW-JTQLQIEISA-N 2 0 272.349 0.065 10 0 CCAERP C[NH+](C)C[C@H]1CC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC000133761440 389238990 /nfs/dbraw/zinc/23/89/90/389238990.db2.gz SPVWHBAPQISBGW-SNVBAGLBSA-N 2 0 272.349 0.065 10 0 CCAERP COC[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173681852 285340591 /nfs/dbraw/zinc/34/05/91/285340591.db2.gz JQQRIQHJOARJGF-JKSUJKDBSA-N 2 0 299.459 0.748 10 0 CCAERP C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1[NH3+] ZINC000335378735 389551777 /nfs/dbraw/zinc/55/17/77/389551777.db2.gz HAPBOACQPHVNCL-MFKMUULPSA-N 2 0 251.374 0.666 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336003826 389620536 /nfs/dbraw/zinc/62/05/36/389620536.db2.gz ODPWYOATBWUOIP-KBPBESRZSA-N 2 0 265.401 0.834 10 0 CCAERP O=C([C@H]1C[NH2+]CCOC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000649322275 390580056 /nfs/dbraw/zinc/58/00/56/390580056.db2.gz KQOSDKVNIAZNSQ-UONOGXRCSA-N 2 0 281.400 0.309 10 0 CCAERP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000649327943 390585908 /nfs/dbraw/zinc/58/59/08/390585908.db2.gz RACPQVUNXXUSJX-QWRGUYRKSA-N 2 0 273.327 0.538 10 0 CCAERP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000649333335 390589242 /nfs/dbraw/zinc/58/92/42/390589242.db2.gz NCXDJFBZWUAYCB-BZPMIXESSA-N 2 0 269.389 0.354 10 0 CCAERP CC[NH+](CC)CCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649276660 390543869 /nfs/dbraw/zinc/54/38/69/390543869.db2.gz WZFZPDQKSHIQPD-CQSZACIVSA-N 2 0 271.405 0.603 10 0 CCAERP COCCC1(C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]CC1 ZINC000649278299 390545352 /nfs/dbraw/zinc/54/53/52/390545352.db2.gz ZZWKOEWLCPSOHY-UHFFFAOYSA-N 2 0 285.432 0.849 10 0 CCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649298945 390558938 /nfs/dbraw/zinc/55/89/38/390558938.db2.gz NHDRYOBUEGWFST-QWHCGFSZSA-N 2 0 269.389 0.023 10 0 CCAERP COC[C@@]1(C(=O)N2CCC([NH+](C)C)CC2)CCC[NH2+]1 ZINC000649354046 390604245 /nfs/dbraw/zinc/60/42/45/390604245.db2.gz CVLZGXWKKHBCRD-CQSZACIVSA-N 2 0 269.389 0.308 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250668599 131125986 /nfs/dbraw/zinc/12/59/86/131125986.db2.gz SVTYPVOIKTUVBH-RAIGVLPGSA-N 2 0 251.374 0.714 10 0 CCAERP C[N@@H+]1CCC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000044538741 411629412 /nfs/dbraw/zinc/62/94/12/411629412.db2.gz GIIPVHWFADBDEV-HIFPTAJRSA-N 2 0 253.390 0.962 10 0 CCAERP COCC[N@H+](C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000061380519 411685301 /nfs/dbraw/zinc/68/53/01/411685301.db2.gz OOZMYBKSHMNPJE-UHFFFAOYSA-N 2 0 257.378 0.198 10 0 CCAERP C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129716281 411720771 /nfs/dbraw/zinc/72/07/71/411720771.db2.gz LVDGCRJXGDMHHX-ZDUSSCGKSA-N 2 0 282.432 0.128 10 0 CCAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1CCSCC1)C2 ZINC000020524107 171237188 /nfs/dbraw/zinc/23/71/88/171237188.db2.gz DPQWBEASCDWHKH-FUNVUKJBSA-N 2 0 255.431 0.989 10 0 CCAERP CN1CC[NH+](CCC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022151963 171358949 /nfs/dbraw/zinc/35/89/49/171358949.db2.gz XPHJAEBZDCCQOB-UHFFFAOYSA-N 2 0 276.384 0.721 10 0 CCAERP COc1ccc([C@@H]([NH3+])CN2CC[NH+](C)CC2)cc1OC ZINC000022563524 171391419 /nfs/dbraw/zinc/39/14/19/171391419.db2.gz GUKVLYMIGCKKCV-ZDUSSCGKSA-N 2 0 279.384 0.951 10 0 CCAERP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cc2nccn2cn1 ZINC000039073356 174162520 /nfs/dbraw/zinc/16/25/20/174162520.db2.gz LWZZVWDUESWLSQ-BBBLOLIVSA-N 2 0 257.297 0.210 10 0 CCAERP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH+](C)C ZINC000662278339 414705307 /nfs/dbraw/zinc/70/53/07/414705307.db2.gz FZFMIRZFZAUATH-FRRDWIJNSA-N 2 0 253.390 0.389 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662703288 414743795 /nfs/dbraw/zinc/74/37/95/414743795.db2.gz JBUPLCMNQFYGMX-HBNTYKKESA-N 2 0 293.333 0.985 10 0 CCAERP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851597 414842815 /nfs/dbraw/zinc/84/28/15/414842815.db2.gz BXJZGQGIVNXCIX-SWLSCSKDSA-N 2 0 283.416 0.744 10 0 CCAERP C[N@H+](CCn1ccc(N)n1)CC1CC[NH+](C)CC1 ZINC000071378337 176142772 /nfs/dbraw/zinc/14/27/72/176142772.db2.gz HUIKGFORMOWKAE-UHFFFAOYSA-N 2 0 251.378 0.739 10 0 CCAERP [NH3+]C[C@@H](O)CN1CC[NH+](CCC2=CCCCC2)CC1 ZINC000071599342 176223936 /nfs/dbraw/zinc/22/39/36/176223936.db2.gz MOMUFHKKWVKHJN-OAHLLOKOSA-N 2 0 267.417 0.814 10 0 CCAERP CC(C)c1nccn1CCC[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC000072411616 176399046 /nfs/dbraw/zinc/39/90/46/176399046.db2.gz UJJTTZYEDLSZCP-CQSZACIVSA-N 2 0 266.389 0.711 10 0 CCAERP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1C[NH2+]C1 ZINC000227155113 269747540 /nfs/dbraw/zinc/74/75/40/269747540.db2.gz PMFISTSTJAAHPQ-SGMGOOAPSA-N 2 0 265.401 0.785 10 0 CCAERP CC1([NH+]2CCOCC2)CCC(N2CC[NH2+]CC2)CC1 ZINC000725262754 545881406 /nfs/dbraw/zinc/88/14/06/545881406.db2.gz OPEINFIFBLEJSM-UHFFFAOYSA-N 2 0 267.417 0.925 10 0 CCAERP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258501 545881637 /nfs/dbraw/zinc/88/16/37/545881637.db2.gz QQAOVYWGMHZDPX-KWQFWETISA-N 2 0 251.334 0.339 10 0 CCAERP CC[NH+]1CCN([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264329 545885048 /nfs/dbraw/zinc/88/50/48/545885048.db2.gz HQIBHTWENNNZAS-OLZOCXBDSA-N 2 0 253.390 0.520 10 0 CCAERP CC(C)C[NH+]1CCN(C2CCN(CC[NH3+])CC2)CC1 ZINC000725273779 545889362 /nfs/dbraw/zinc/88/93/62/545889362.db2.gz FAAPRGXBLFKGMZ-UHFFFAOYSA-N 2 0 268.449 0.683 10 0 CCAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089451039 544513786 /nfs/dbraw/zinc/51/37/86/544513786.db2.gz RNCMITJZXSBFKW-WCQYABFASA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000261872314 287556771 /nfs/dbraw/zinc/55/67/71/287556771.db2.gz SLLWKNABXXQOEN-NMKXLXIOSA-N 2 0 251.374 0.572 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250347692 544922258 /nfs/dbraw/zinc/92/22/58/544922258.db2.gz QRZZMLAQNMBMJH-XQQFMLRXSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322637721 545016153 /nfs/dbraw/zinc/01/61/53/545016153.db2.gz XEAXQYSWEINERK-JVGWCMFKSA-N 2 0 251.374 0.583 10 0 CCAERP COC(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000261701717 277135291 /nfs/dbraw/zinc/13/52/91/277135291.db2.gz IBWOQKOJSKIVKK-ZYHUDNBSSA-N 2 0 256.346 0.248 10 0 CCAERP CC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106386542 280207763 /nfs/dbraw/zinc/20/77/63/280207763.db2.gz JCLRFTQCRWNDAE-HZPDHXFCSA-N 2 0 299.459 0.484 10 0 CCAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369453 289106035 /nfs/dbraw/zinc/10/60/35/289106035.db2.gz RYFCVPDFKFPDTK-STQMWFEESA-N 2 0 253.390 0.914 10 0 CCAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261702253 289359528 /nfs/dbraw/zinc/35/95/28/289359528.db2.gz INIJVAAVXHVJEX-JHJVBQTASA-N 2 0 253.390 0.818 10 0 CCAERP [NH3+][C@@H]1CC[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249103116 295319191 /nfs/dbraw/zinc/31/91/91/295319191.db2.gz KPNBWXARDIDUEJ-UTUOFQBUSA-N 2 0 251.374 0.857 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000389523311 545086879 /nfs/dbraw/zinc/08/68/79/545086879.db2.gz AAYSGAJCNBLMHB-CHWSQXEVSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1[NH3+] ZINC000335378734 300120045 /nfs/dbraw/zinc/12/00/45/300120045.db2.gz HAPBOACQPHVNCL-GXFFZTMASA-N 2 0 251.374 0.666 10 0 CCAERP NC(=O)c1c[nH+]ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000399205796 329448925 /nfs/dbraw/zinc/44/89/25/329448925.db2.gz VTYPMBOUZOFMIU-ZMLRMANQSA-N 2 0 260.341 0.744 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)CCC[NH3+] ZINC000049558381 519342676 /nfs/dbraw/zinc/34/26/76/519342676.db2.gz GTIVTBJAXYBQOS-LLVKDONJSA-N 2 0 265.423 0.231 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CCCC[NH3+] ZINC000049558147 519775995 /nfs/dbraw/zinc/77/59/95/519775995.db2.gz AQVYORGWKHEXSI-LBPRGKRZSA-N 2 0 279.450 0.621 10 0 CCAERP CCO[C@H]1CCC[N@H+](CCn2cc(C[NH3+])nn2)C1 ZINC000052372232 520526017 /nfs/dbraw/zinc/52/60/17/520526017.db2.gz HUZVJMJOWAFWMF-LBPRGKRZSA-N 2 0 253.350 0.238 10 0 CCAERP CC[C@@H](C)[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643117 522299719 /nfs/dbraw/zinc/29/97/19/522299719.db2.gz GHVAXYOMYSZWGN-ZIAGYGMSSA-N 2 0 256.438 0.539 10 0 CCAERP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000183526073 522309112 /nfs/dbraw/zinc/30/91/12/522309112.db2.gz DBPGYMOCYRYBDV-LLVKDONJSA-N 2 0 262.357 0.924 10 0 CCAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000055131677 524145145 /nfs/dbraw/zinc/14/51/45/524145145.db2.gz VLBRYGPBBUEEAP-YNEHKIRRSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@H]1CC[C@H](C(=O)NCC[NH+]2CCCCC2)C[NH2+]1 ZINC000049575584 524382120 /nfs/dbraw/zinc/38/21/20/524382120.db2.gz IDQRSVXVTXMCPL-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP C[C@H]1C[N@@H+](C2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000246735104 524574009 /nfs/dbraw/zinc/57/40/09/524574009.db2.gz YPNGZBPRAUELAC-UONOGXRCSA-N 2 0 295.427 0.840 10 0 CCAERP O=S(=O)(C1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069051531 527164109 /nfs/dbraw/zinc/16/41/09/527164109.db2.gz BINMKNPZSDGXDG-LBPRGKRZSA-N 2 0 287.429 0.238 10 0 CCAERP NNc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc[nH+]1 ZINC000051096590 527272215 /nfs/dbraw/zinc/27/22/15/527272215.db2.gz ZHULFBZRCMRFMA-NSHDSACASA-N 2 0 261.329 0.191 10 0 CCAERP COCC[NH+]1CCN(CC23CCC(CC2)[NH2+]3)CC1 ZINC000675056066 545320758 /nfs/dbraw/zinc/32/07/58/545320758.db2.gz JOJUGMSSYFZJQU-UHFFFAOYSA-N 2 0 253.390 0.535 10 0 CCAERP C[NH2+][C@H](C(=O)N1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000262322797 536378861 /nfs/dbraw/zinc/37/88/61/536378861.db2.gz FKZYCADGQIYZRP-ZDUSSCGKSA-N 2 0 279.388 0.233 10 0 CCAERP OCC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000399016281 581207067 /nfs/dbraw/zinc/20/70/67/581207067.db2.gz DHLHUUZNZZXSCJ-HUUCEWRRSA-N 2 0 267.417 0.660 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000310667885 623438474 /nfs/dbraw/zinc/43/84/74/623438474.db2.gz FKHQXKICPSQGEP-RAIGVLPGSA-N 2 0 251.374 0.809 10 0 CCAERP COCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052809693 623488045 /nfs/dbraw/zinc/48/80/45/623488045.db2.gz OLFCJOZQIMTSGP-KGLIPLIRSA-N 2 0 279.384 0.769 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCC[NH3+])C[C@H]1C ZINC000155677380 635621804 /nfs/dbraw/zinc/62/18/04/635621804.db2.gz WLLOQVZLVFHLJG-CHWSQXEVSA-N 2 0 271.405 0.419 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091543812 349466665 /nfs/dbraw/zinc/46/66/65/349466665.db2.gz MMCOQMHRECAXEX-OLZOCXBDSA-N 2 0 253.390 0.962 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105174474 349721192 /nfs/dbraw/zinc/72/11/92/349721192.db2.gz ONDONLHCKSROFE-QWHCGFSZSA-N 2 0 284.404 0.101 10 0 CCAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000111270884 349769238 /nfs/dbraw/zinc/76/92/38/349769238.db2.gz LBDMMUOKRUUDQN-KFWWJZLASA-N 2 0 296.459 0.230 10 0 CCAERP CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000152087935 290663638 /nfs/dbraw/zinc/66/36/38/290663638.db2.gz ULZDXQRPVDZQSH-UKRRQHHQSA-N 2 0 299.459 0.878 10 0 CCAERP COCC[N@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000113612637 349817865 /nfs/dbraw/zinc/81/78/65/349817865.db2.gz MQBCFLWYADXMIU-ZIAGYGMSSA-N 2 0 298.431 0.443 10 0 CCAERP COc1c(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)nn1C ZINC000252893933 137004404 /nfs/dbraw/zinc/00/44/04/137004404.db2.gz SBBGHMMNHGYLQD-STQMWFEESA-N 2 0 294.399 0.690 10 0 CCAERP CCC1(C[NH2+]CCN2CC[NH2+]CC2)CCOCC1 ZINC000261586585 137010478 /nfs/dbraw/zinc/01/04/78/137010478.db2.gz UMFOPTFAOVGKMZ-UHFFFAOYSA-N 2 0 255.406 0.688 10 0 CCAERP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1-n1cncn1 ZINC000263254385 137061621 /nfs/dbraw/zinc/06/16/21/137061621.db2.gz QISWCBONRIDXRH-DZGCQCFKSA-N 2 0 287.367 0.246 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000263249347 137061855 /nfs/dbraw/zinc/06/18/55/137061855.db2.gz PQMCJDISXBNZPW-HIFRSBDPSA-N 2 0 272.352 0.542 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037826846 348212315 /nfs/dbraw/zinc/21/23/15/348212315.db2.gz KHYOFAOTHNDEOL-ZDUSSCGKSA-N 2 0 269.389 0.167 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308262 348549299 /nfs/dbraw/zinc/54/92/99/348549299.db2.gz AQQRFLWTHNSYBT-CQSZACIVSA-N 2 0 283.416 0.557 10 0 CCAERP COCC[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000061380677 348653148 /nfs/dbraw/zinc/65/31/48/348653148.db2.gz BQWYDOWLGWDMEN-GFCCVEGCSA-N 2 0 257.378 0.071 10 0 CCAERP COCC[NH2+]CC1CC[NH+](C[C@H](C)C(N)=O)CC1 ZINC000104421480 185995938 /nfs/dbraw/zinc/99/59/38/185995938.db2.gz DAGCTQMLJNAFDN-NSHDSACASA-N 2 0 257.378 0.056 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129687815 350220508 /nfs/dbraw/zinc/22/05/08/350220508.db2.gz GCQZINBJXSLIQZ-ZDUSSCGKSA-N 2 0 282.432 0.271 10 0 CCAERP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000105269518 186048358 /nfs/dbraw/zinc/04/83/58/186048358.db2.gz NJAMLIJDTHDSAZ-AAEUAGOBSA-N 2 0 268.405 0.815 10 0 CCAERP C[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000151251190 350496676 /nfs/dbraw/zinc/49/66/76/350496676.db2.gz OWJJQEPWRUQMSI-KFWWJZLASA-N 3 0 269.433 0.906 10 0 CCAERP CC[N@H+](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CC1 ZINC000152722356 350539590 /nfs/dbraw/zinc/53/95/90/350539590.db2.gz YNJVTTHULGEWHF-CYBMUJFWSA-N 2 0 269.389 0.260 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111266659 186382323 /nfs/dbraw/zinc/38/23/23/186382323.db2.gz SFFFXGFUDBNIOR-DGCLKSJQSA-N 2 0 253.390 0.831 10 0 CCAERP C[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)C[C@H]1[NH+](C)C ZINC000251550713 352510686 /nfs/dbraw/zinc/51/06/86/352510686.db2.gz BFHHITUXWVENKM-VHSXEESVSA-N 2 0 267.377 0.645 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252601346 352520057 /nfs/dbraw/zinc/52/00/57/352520057.db2.gz MHXNRLRSBODUSD-YNEHKIRRSA-N 2 0 253.390 0.927 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000253268610 352529860 /nfs/dbraw/zinc/52/98/60/352529860.db2.gz YYODTRBINYCFKK-OQMKEHIESA-N 2 0 295.427 0.681 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000253268609 352529895 /nfs/dbraw/zinc/52/98/95/352529895.db2.gz YYODTRBINYCFKK-LMOYCYGVSA-N 2 0 295.427 0.681 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000333298322 354755640 /nfs/dbraw/zinc/75/56/40/354755640.db2.gz IQPGBMIQQUYXOY-WZRBSPASSA-N 2 0 266.389 0.744 10 0 CCAERP C[C@]1(C(=O)N2CC[NH+]3CCC2CC3)CCCC[NH2+]1 ZINC000335038174 354944644 /nfs/dbraw/zinc/94/46/44/354944644.db2.gz OJDVFBIAMJJANM-CQSZACIVSA-N 2 0 251.374 0.825 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000335403579 354996209 /nfs/dbraw/zinc/99/62/09/354996209.db2.gz JOVKUVABZUGSQF-GFCCVEGCSA-N 2 0 252.362 0.228 10 0 CCAERP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040668 357382125 /nfs/dbraw/zinc/38/21/25/357382125.db2.gz UTGZFTPTSYVYFR-KGLIPLIRSA-N 2 0 281.400 0.452 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762652 372208934 /nfs/dbraw/zinc/20/89/34/372208934.db2.gz CQTBKLBMXIZQCZ-GUTXKFCHSA-N 2 0 265.401 0.977 10 0 CCAERP C[N@H+](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634766729 372213761 /nfs/dbraw/zinc/21/37/61/372213761.db2.gz SFCYPRCXHPQBTE-FZMZJTMJSA-N 2 0 251.374 0.587 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638071212 374621667 /nfs/dbraw/zinc/62/16/67/374621667.db2.gz HGIWKGCCTPVCMF-SDDRHHMPSA-N 2 0 257.378 0.195 10 0 CCAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116790701 285193646 /nfs/dbraw/zinc/19/36/46/285193646.db2.gz WLBONNFTKWHGRQ-ZIAGYGMSSA-N 2 0 283.416 0.650 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000091291289 389022459 /nfs/dbraw/zinc/02/24/59/389022459.db2.gz ZFHOAYCMLCDZNN-QWRGUYRKSA-N 2 0 257.403 0.244 10 0 CCAERP C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336819091 389024874 /nfs/dbraw/zinc/02/48/74/389024874.db2.gz YEVJILDILAUHSZ-ZIAGYGMSSA-N 2 0 266.389 0.708 10 0 CCAERP CC(C)NC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862567 389088354 /nfs/dbraw/zinc/08/83/54/389088354.db2.gz FUZQBSHLVKSESI-CQSZACIVSA-N 2 0 299.459 0.926 10 0 CCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306786831 389091059 /nfs/dbraw/zinc/09/10/59/389091059.db2.gz PRKPRRMWPWAVMK-DJIMGWMZSA-N 2 0 289.423 0.916 10 0 CCAERP C[C@H]1C[N@H+](CCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000162200307 389416159 /nfs/dbraw/zinc/41/61/59/389416159.db2.gz QKKLUARIUKACSK-KBPBESRZSA-N 2 0 264.373 0.536 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOCCO)CC1 ZINC000172624545 389491857 /nfs/dbraw/zinc/49/18/57/389491857.db2.gz LIKWDPQHHIOZMJ-CYBMUJFWSA-N 2 0 274.405 0.020 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](C)[N@H+]1CCO ZINC000333658667 389438715 /nfs/dbraw/zinc/43/87/15/389438715.db2.gz LESOSSDRDCIWRQ-MJBXVCDLSA-N 2 0 298.431 0.225 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333678383 389439159 /nfs/dbraw/zinc/43/91/59/389439159.db2.gz OKEKKHGYQQKIEY-UPJWGTAASA-N 2 0 266.389 0.664 10 0 CCAERP CC[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@@H+]1CCOC ZINC000178776763 389621922 /nfs/dbraw/zinc/62/19/22/389621922.db2.gz QYMNOGLNKWMNPG-GFCCVEGCSA-N 2 0 271.405 0.683 10 0 CCAERP COC[C@@]1(C(=O)NCC(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC000649276971 390546081 /nfs/dbraw/zinc/54/60/81/390546081.db2.gz YHDSCLFOPWFXSD-CQSZACIVSA-N 2 0 271.405 0.459 10 0 CCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649298944 390559130 /nfs/dbraw/zinc/55/91/30/390559130.db2.gz NHDRYOBUEGWFST-OLZOCXBDSA-N 2 0 269.389 0.023 10 0 CCAERP COCCC1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000649304934 390565500 /nfs/dbraw/zinc/56/55/00/390565500.db2.gz NVLXEAOGJTYRKZ-CYBMUJFWSA-N 2 0 283.416 0.603 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649306054 390565677 /nfs/dbraw/zinc/56/56/77/390565677.db2.gz XTPBWWGYUCSHGV-OCCSQVGLSA-N 2 0 269.389 0.356 10 0 CCAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649318451 390576311 /nfs/dbraw/zinc/57/63/11/390576311.db2.gz LRPVDSOXDSEEIT-JSGCOSHPSA-N 2 0 271.405 0.602 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000646533850 390691128 /nfs/dbraw/zinc/69/11/28/390691128.db2.gz IFBFBBYNMYBMDE-YNEHKIRRSA-N 2 0 253.390 0.785 10 0 CCAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000384255340 397496097 /nfs/dbraw/zinc/49/60/97/397496097.db2.gz OCNAAEWJWOQQSN-KGLIPLIRSA-N 2 0 282.432 0.128 10 0 CCAERP CS[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH+](C)C ZINC000262592994 286701550 /nfs/dbraw/zinc/70/15/50/286701550.db2.gz VMRKZJHIJPHWHK-GARJFASQSA-N 2 0 257.403 0.242 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000333634228 296837856 /nfs/dbraw/zinc/83/78/56/296837856.db2.gz HCSHOQKCKSLDFU-GRYCIOLGSA-N 2 0 254.378 0.520 10 0 CCAERP CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000261886252 287136023 /nfs/dbraw/zinc/13/60/23/287136023.db2.gz ZSZHILAWPAYPFR-LXTVHRRPSA-N 2 0 297.443 0.808 10 0 CCAERP [NH3+][C@H](C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1)c1ccccc1 ZINC000328626373 411759931 /nfs/dbraw/zinc/75/99/31/411759931.db2.gz LQKZVEPVFIKEHQ-JSGCOSHPSA-N 2 0 285.351 1.056 10 0 CCAERP C[NH2+]Cc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000020188204 171053141 /nfs/dbraw/zinc/05/31/41/171053141.db2.gz HQJGFFOGBHJDRD-UHFFFAOYSA-N 2 0 271.386 0.246 10 0 CCAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1CC[NH+](C)CC1)C2 ZINC000020524089 171237469 /nfs/dbraw/zinc/23/74/69/171237469.db2.gz LSCJUJHBKUADMG-PBWFPOADSA-N 3 0 252.406 0.188 10 0 CCAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653112748 412224461 /nfs/dbraw/zinc/22/44/61/412224461.db2.gz IYNQVBULRFMRMH-OPRDCNLKSA-N 2 0 281.322 0.841 10 0 CCAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](C[C@@H](C)C(N)=O)CC1 ZINC000037227041 173047249 /nfs/dbraw/zinc/04/72/49/173047249.db2.gz SGQQWEBTAMDTRY-OLZOCXBDSA-N 2 0 270.421 0.243 10 0 CCAERP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cc2cncn2cn1 ZINC000039073354 174162357 /nfs/dbraw/zinc/16/23/57/174162357.db2.gz OIVBJQRGGRXZFB-KKZNHRDASA-N 2 0 257.297 0.210 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000665275363 415584110 /nfs/dbraw/zinc/58/41/10/415584110.db2.gz JDMPJSWUDQJEKD-NWDGAFQWSA-N 2 0 274.430 0.931 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])C1CCOCC1 ZINC000071188399 176063213 /nfs/dbraw/zinc/06/32/13/176063213.db2.gz QKKXDFANVNXYLC-OCCSQVGLSA-N 2 0 255.406 0.624 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000071190511 176066564 /nfs/dbraw/zinc/06/65/64/176066564.db2.gz KSAPPDHGWCPIPA-STQMWFEESA-N 2 0 253.390 0.929 10 0 CCAERP C[N@H+](C[C@H]1CC[NH+](C)C1)CC1(CO)CCOCC1 ZINC000071191626 176069505 /nfs/dbraw/zinc/06/95/05/176069505.db2.gz LRUGBYNWZDGXGL-ZDUSSCGKSA-N 2 0 256.390 0.659 10 0 CCAERP CC[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC000071191678 176071325 /nfs/dbraw/zinc/07/13/25/176071325.db2.gz XQIJODKJPYTMJE-GFCCVEGCSA-N 2 0 263.389 0.974 10 0 CCAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258502 545882382 /nfs/dbraw/zinc/88/23/82/545882382.db2.gz QQAOVYWGMHZDPX-LDYMZIIASA-N 2 0 251.334 0.339 10 0 CCAERP [NH3+]C1(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC1 ZINC000094294575 544543785 /nfs/dbraw/zinc/54/37/85/544543785.db2.gz QFLSDUPNDAFRKS-LBPRGKRZSA-N 2 0 251.374 0.955 10 0 CCAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](C[NH3+])C1 ZINC000261759461 287554203 /nfs/dbraw/zinc/55/42/03/287554203.db2.gz JOMATFLULLUCQD-KKOKHZNYSA-N 2 0 255.362 0.079 10 0 CCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000179855158 544753621 /nfs/dbraw/zinc/75/36/21/544753621.db2.gz HJXYYXDYUHZFJS-CFVMTHIKSA-N 2 0 297.443 0.665 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000261845031 544937227 /nfs/dbraw/zinc/93/72/27/544937227.db2.gz VHBSWEMMCFGYFI-RBSFLKMASA-N 2 0 297.443 0.931 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000311135162 545012336 /nfs/dbraw/zinc/01/23/36/545012336.db2.gz KGFYVJAGTTVYBE-RDBSUJKOSA-N 2 0 257.422 0.569 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000105862064 278395166 /nfs/dbraw/zinc/39/51/66/278395166.db2.gz XHWSEZKWEHSLQC-CYBMUJFWSA-N 2 0 299.459 0.926 10 0 CCAERP O=C([C@H]1CCCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178746976 280129462 /nfs/dbraw/zinc/12/94/62/280129462.db2.gz GTHJNYUBENBCRW-CYBMUJFWSA-N 2 0 251.374 0.825 10 0 CCAERP CC[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000246731996 280347397 /nfs/dbraw/zinc/34/73/97/280347397.db2.gz YKKADAVBEBJOJC-DZGCQCFKSA-N 2 0 297.443 0.680 10 0 CCAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000335369694 289213523 /nfs/dbraw/zinc/21/35/23/289213523.db2.gz WAXCISVWHMYRCH-OCCSQVGLSA-N 2 0 253.390 0.929 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000334928246 289292377 /nfs/dbraw/zinc/29/23/77/289292377.db2.gz JAUAOETVRFZMKM-CHWSQXEVSA-N 2 0 268.405 0.864 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1C ZINC000261787282 290092739 /nfs/dbraw/zinc/09/27/39/290092739.db2.gz PVOMOXOWJXZTOC-ZOBORPQBSA-N 2 0 283.416 0.417 10 0 CCAERP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333944165 295252479 /nfs/dbraw/zinc/25/24/79/295252479.db2.gz RREJYIKYQUJHRY-YNEHKIRRSA-N 2 0 266.389 0.746 10 0 CCAERP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394380314 545087994 /nfs/dbraw/zinc/08/79/94/545087994.db2.gz NTJJBXHOYHNNIC-KGLIPLIRSA-N 2 0 280.416 0.025 10 0 CCAERP CCO[C@H](C[NH3+])CC[N@H+](C)CC(=O)N(CC)CC ZINC000062741078 520516685 /nfs/dbraw/zinc/51/66/85/520516685.db2.gz RNIMCTAVQWOQFD-LBPRGKRZSA-N 2 0 259.394 0.541 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449348042 545096458 /nfs/dbraw/zinc/09/64/58/545096458.db2.gz ALOZUOLBHBCHHU-RVMXOQNASA-N 2 0 251.374 0.809 10 0 CCAERP CC(C)C[NH2+]C[C@@]1(C[N@@H+]2CC[C@H](O)C2)CCOC1 ZINC000061711800 519745855 /nfs/dbraw/zinc/74/58/55/519745855.db2.gz YPTQZYMCJCTFBS-UONOGXRCSA-N 2 0 256.390 0.705 10 0 CCAERP CC[NH2+][C@@H](CCN1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000062531904 520088664 /nfs/dbraw/zinc/08/86/64/520088664.db2.gz KIRQATCLSJTQAF-STQMWFEESA-N 2 0 270.421 0.256 10 0 CCAERP CC[C@@H](CC[NH3+])N1CC[NH+](CCCCCO)CC1 ZINC000051020302 522496779 /nfs/dbraw/zinc/49/67/79/522496779.db2.gz PEODGBKGACCXLA-AWEZNQCLSA-N 2 0 257.422 0.894 10 0 CCAERP C[NH+](C)CC(C)(C)CNS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049640711 524046259 /nfs/dbraw/zinc/04/62/59/524046259.db2.gz SRMBGWVJPGHPDQ-LLVKDONJSA-N 2 0 277.434 0.246 10 0 CCAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000055131674 524301524 /nfs/dbraw/zinc/30/15/24/524301524.db2.gz VLBRYGPBBUEEAP-JHJVBQTASA-N 2 0 253.390 0.962 10 0 CCAERP C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)CCCC[NH3+] ZINC000049502433 524334110 /nfs/dbraw/zinc/33/41/10/524334110.db2.gz UBTRSOPARQPPSG-GFCCVEGCSA-N 2 0 277.434 0.519 10 0 CCAERP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCCCC2)C[NH2+]1 ZINC000049575583 524634876 /nfs/dbraw/zinc/63/48/76/524634876.db2.gz IDQRSVXVTXMCPL-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP O=C([C@@H]1CCC[N@@H+]1[C@@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000061590668 526472982 /nfs/dbraw/zinc/47/29/82/526472982.db2.gz RAAYMDIRKDCIID-OLZOCXBDSA-N 2 0 283.441 0.778 10 0 CCAERP CC(C)([NH3+])Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000252547241 649828426 /nfs/dbraw/zinc/82/84/26/649828426.db2.gz LHEGENRUUZIQIJ-VHSXEESVSA-N 2 0 266.345 0.885 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000091394525 349460949 /nfs/dbraw/zinc/46/09/49/349460949.db2.gz XUOPEIFTIRXGNC-CHWSQXEVSA-N 2 0 253.390 0.929 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095088001 349590011 /nfs/dbraw/zinc/59/00/11/349590011.db2.gz YCWLULSIZCNEPM-SGMGOOAPSA-N 2 0 253.390 0.947 10 0 CCAERP C[C@@H]1CN(CC(=O)NC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000601326119 362222416 /nfs/dbraw/zinc/22/24/16/362222416.db2.gz KDYAWGFAIBCDHR-MNOVXSKESA-N 2 0 282.388 0.281 10 0 CCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000040634448 136753527 /nfs/dbraw/zinc/75/35/27/136753527.db2.gz SKRCIVRHAWDWCJ-QWHCGFSZSA-N 2 0 283.416 0.742 10 0 CCAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369454 136794164 /nfs/dbraw/zinc/79/41/64/136794164.db2.gz RYFCVPDFKFPDTK-CHWSQXEVSA-N 2 0 253.390 0.914 10 0 CCAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263255808 137061731 /nfs/dbraw/zinc/06/17/31/137061731.db2.gz FNNOZCQTQNKPPM-NSHDSACASA-N 2 0 253.390 0.833 10 0 CCAERP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1[NH+](C)C ZINC000310939434 137072774 /nfs/dbraw/zinc/07/27/74/137072774.db2.gz KSYAEYYOLIFXIO-BNOWGMLFSA-N 2 0 255.406 0.323 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040636625 348239977 /nfs/dbraw/zinc/23/99/77/348239977.db2.gz JQBUNKOCJQZCTC-HUUCEWRRSA-N 2 0 295.427 0.840 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000040636602 348240477 /nfs/dbraw/zinc/24/04/77/348240477.db2.gz PXQUNMCVBOQCAK-CHWSQXEVSA-N 2 0 269.389 0.164 10 0 CCAERP OC1CC[NH+](C[C@@]2(C[NH2+]C3CC3)CCCOC2)CC1 ZINC000104315883 185965173 /nfs/dbraw/zinc/96/51/73/185965173.db2.gz LLPIDSJNPMHOOY-HNNXBMFYSA-N 2 0 268.401 0.992 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129688032 350220463 /nfs/dbraw/zinc/22/04/63/350220463.db2.gz GCQZINBJXSLIQZ-CYBMUJFWSA-N 2 0 282.432 0.271 10 0 CCAERP C[NH+]1CCC(CNC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129715866 350221410 /nfs/dbraw/zinc/22/14/10/350221410.db2.gz CMBWBIAIYIXSID-UHFFFAOYSA-N 2 0 282.432 0.128 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000132964580 350321232 /nfs/dbraw/zinc/32/12/32/350321232.db2.gz HQDCUBYOODGAMA-OLZOCXBDSA-N 2 0 282.432 0.269 10 0 CCAERP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000262523460 282720081 /nfs/dbraw/zinc/72/00/81/282720081.db2.gz FQGKBACWLZMDSW-KBPBESRZSA-N 2 0 265.401 0.929 10 0 CCAERP CCC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[NH+](C)C ZINC000162127417 350736884 /nfs/dbraw/zinc/73/68/84/350736884.db2.gz NGBOPJWMLRRZNI-HUUCEWRRSA-N 2 0 298.475 0.716 10 0 CCAERP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H]1CCC[N@H+](C)C1 ZINC000188919377 351639436 /nfs/dbraw/zinc/63/94/36/351639436.db2.gz SLRBDEYHXYTRNJ-SNVBAGLBSA-N 2 0 277.372 0.222 10 0 CCAERP O=C1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CCN1 ZINC000396725162 357764594 /nfs/dbraw/zinc/76/45/94/357764594.db2.gz XYQPISMCNFSCNH-STQMWFEESA-N 2 0 269.389 0.092 10 0 CCAERP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C12CCC2 ZINC000262074369 294033787 /nfs/dbraw/zinc/03/37/87/294033787.db2.gz CWVLZJATRCYWSA-QNWJLWSRSA-N 2 0 254.374 0.360 10 0 CCAERP CCOC(=O)c1cccc([C@@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616635593 365395302 /nfs/dbraw/zinc/39/53/02/365395302.db2.gz IBYRTBFFTOGGMG-AWEZNQCLSA-N 2 0 277.368 0.768 10 0 CCAERP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000629556592 369706405 /nfs/dbraw/zinc/70/64/05/369706405.db2.gz TZJWAEHFMIVHAX-LOWVWBTDSA-N 2 0 251.374 0.727 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767071 372213678 /nfs/dbraw/zinc/21/36/78/372213678.db2.gz HHKIVNNBQABQEC-JSGCOSHPSA-N 2 0 269.389 0.071 10 0 CCAERP CN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333530941 205412401 /nfs/dbraw/zinc/41/24/01/205412401.db2.gz HYMPNJCPLIZPRP-STQMWFEESA-N 2 0 298.431 0.083 10 0 CCAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH3+] ZINC000638331271 374931735 /nfs/dbraw/zinc/93/17/35/374931735.db2.gz JLZNZYYYEYMGEB-NEPJUHHUSA-N 2 0 251.374 0.668 10 0 CCAERP O=C(NC[C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000335305574 208150998 /nfs/dbraw/zinc/15/09/98/208150998.db2.gz QSLATJVYJNDHOO-QWHCGFSZSA-N 2 0 266.389 0.476 10 0 CCAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000572481117 291882110 /nfs/dbraw/zinc/88/21/10/291882110.db2.gz QYQVQIOPSXDUMU-HUUCEWRRSA-N 2 0 275.396 0.967 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310909000 389100217 /nfs/dbraw/zinc/10/02/17/389100217.db2.gz DQJPBHDBANPTAY-CHWSQXEVSA-N 2 0 253.390 0.912 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[N@H+](C)C1CC1 ZINC000220175545 389138898 /nfs/dbraw/zinc/13/88/98/389138898.db2.gz IXNUGDGOCWPKSL-DMDPSCGWSA-N 2 0 253.390 0.973 10 0 CCAERP COC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000126665714 389171232 /nfs/dbraw/zinc/17/12/32/389171232.db2.gz HZXOUMMLAPJJPB-TZMCWYRMSA-N 2 0 274.405 0.018 10 0 CCAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1(C)C ZINC000249049486 389252085 /nfs/dbraw/zinc/25/20/85/389252085.db2.gz AOZDHBKINQGMOK-BLXSCJOCSA-N 2 0 295.427 0.715 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333450627 389413617 /nfs/dbraw/zinc/41/36/17/389413617.db2.gz XMDIPXUWLKNPHT-MBNYWOFBSA-N 2 0 280.416 0.910 10 0 CCAERP C[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)C1C[NH2+]C1 ZINC000164497684 389434363 /nfs/dbraw/zinc/43/43/63/389434363.db2.gz TUPBOEGQJHBAPC-GFCCVEGCSA-N 2 0 265.401 0.929 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH+]1 ZINC000333923596 389449495 /nfs/dbraw/zinc/44/94/95/389449495.db2.gz SITJFSBXULRVRP-MNOVXSKESA-N 2 0 285.355 0.263 10 0 CCAERP O[C@]1(CN[C@@H]2CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000422980753 389516429 /nfs/dbraw/zinc/51/64/29/389516429.db2.gz QXLUGGHCXWXGBX-CVEARBPZSA-N 2 0 275.396 0.575 10 0 CCAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CN2CCCC2=O)CCN1C ZINC000177060258 389570116 /nfs/dbraw/zinc/57/01/16/389570116.db2.gz AGLWLZHKRIPPOP-RDBSUJKOSA-N 2 0 283.416 0.384 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000335932598 389616643 /nfs/dbraw/zinc/61/66/43/389616643.db2.gz ZXUQXJQOFPAKKB-LBPRGKRZSA-N 2 0 251.374 0.588 10 0 CCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH2+]C2CC2)CC1 ZINC000179855246 389663246 /nfs/dbraw/zinc/66/32/46/389663246.db2.gz GWGDCMDCAPAOLI-LBPRGKRZSA-N 2 0 283.416 0.290 10 0 CCAERP Cc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)c2ccccc2[nH+]1 ZINC000420244507 389972286 /nfs/dbraw/zinc/97/22/86/389972286.db2.gz DMYYELXLBQZFJN-NHYWBVRUSA-N 2 0 257.337 0.957 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000648153782 390315486 /nfs/dbraw/zinc/31/54/86/390315486.db2.gz NIOXRUGKFDDELQ-AAEUAGOBSA-N 2 0 251.374 0.668 10 0 CCAERP CCN(CCC[NH+](C)C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643783520 390549241 /nfs/dbraw/zinc/54/92/41/390549241.db2.gz WLSVVNIIRYUTOY-CQSZACIVSA-N 2 0 271.405 0.555 10 0 CCAERP CC1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649293564 390554522 /nfs/dbraw/zinc/55/45/22/390554522.db2.gz YNEVOBRJOVWKJM-CYBMUJFWSA-N 2 0 269.389 0.071 10 0 CCAERP [NH3+][C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262055070 143933911 /nfs/dbraw/zinc/93/39/11/143933911.db2.gz HUDAOPRYGXWTCQ-SGMGOOAPSA-N 2 0 251.374 0.716 10 0 CCAERP C[NH+](C)C[C@H](NC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000040809291 397392854 /nfs/dbraw/zinc/39/28/54/397392854.db2.gz RQKVYMMZRRQQJB-HNNXBMFYSA-N 2 0 290.411 0.311 10 0 CCAERP CS[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1[NH+](C)C ZINC000262593002 286701764 /nfs/dbraw/zinc/70/17/64/286701764.db2.gz VMRKZJHIJPHWHK-HBNTYKKESA-N 2 0 257.403 0.242 10 0 CCAERP C[C@@H](c1ccc(O)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030886 174023663 /nfs/dbraw/zinc/02/36/63/174023663.db2.gz UYDFXTBHBZKUFU-LBPRGKRZSA-N 2 0 277.368 0.817 10 0 CCAERP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccn2ccnc2c1 ZINC000039073313 174162417 /nfs/dbraw/zinc/16/24/17/174162417.db2.gz ONLMJXSVHYOFAJ-IJLUTSLNSA-N 2 0 256.309 0.815 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000040636354 174361367 /nfs/dbraw/zinc/36/13/67/174361367.db2.gz ZJNKZDKEWKAHPV-CHWSQXEVSA-N 2 0 269.389 0.164 10 0 CCAERP CN(CCC[NH2+]C1CCC([NH3+])CC1)S(C)(=O)=O ZINC000665230563 415569520 /nfs/dbraw/zinc/56/95/20/415569520.db2.gz RERKUBJLZGCPGR-UHFFFAOYSA-N 2 0 263.407 0.127 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000665275386 415583708 /nfs/dbraw/zinc/58/37/08/415583708.db2.gz JOOOJEHCXOPSFY-QWRGUYRKSA-N 2 0 260.403 0.541 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@]1(C[NH3+])CN2CCC1CC2 ZINC000071188569 176063437 /nfs/dbraw/zinc/06/34/37/176063437.db2.gz HUZJWCJKUJZUQF-UKRRQHHQSA-N 2 0 266.433 0.293 10 0 CCAERP O[C@]1(C[NH2+]CCn2cc(Cl)cn2)CCC[NH2+]C1 ZINC000072412401 176398762 /nfs/dbraw/zinc/39/87/62/176398762.db2.gz KUCFTWOKYDBSEY-LLVKDONJSA-N 2 0 258.753 0.241 10 0 CCAERP C[C@@H](CCC[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258174 545880942 /nfs/dbraw/zinc/88/09/42/545880942.db2.gz JIRNCOSCKKJKTM-VIFPVBQESA-N 2 0 251.334 0.341 10 0 CCAERP C[C@H](CCC[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258173 545879629 /nfs/dbraw/zinc/87/96/29/545879629.db2.gz JIRNCOSCKKJKTM-SECBINFHSA-N 2 0 251.334 0.341 10 0 CCAERP C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000089749474 544518635 /nfs/dbraw/zinc/51/86/35/544518635.db2.gz JIOSXNKMELROHI-KBPBESRZSA-N 2 0 253.390 0.393 10 0 CCAERP CC1(OCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[NH2+]C1 ZINC000098061729 544556318 /nfs/dbraw/zinc/55/63/18/544556318.db2.gz MXULQLGIDKZFMF-GFCCVEGCSA-N 2 0 267.373 0.062 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246289181 544909165 /nfs/dbraw/zinc/90/91/65/544909165.db2.gz NDYLVUWULFIGSE-DGAVXFQQSA-N 2 0 283.416 0.417 10 0 CCAERP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250200863 544922013 /nfs/dbraw/zinc/92/20/13/544922013.db2.gz BJRCVJBQMOESAL-SOUVJXGZSA-N 2 0 267.417 0.924 10 0 CCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262080075 544939039 /nfs/dbraw/zinc/93/90/39/544939039.db2.gz DYJVGLNZGKGWCC-IWCQGFGOSA-N 2 0 289.423 0.677 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000311135161 545012635 /nfs/dbraw/zinc/01/26/35/545012635.db2.gz KGFYVJAGTTVYBE-MGPQQGTHSA-N 2 0 257.422 0.569 10 0 CCAERP CC(C)(C)CC[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262265901 277140436 /nfs/dbraw/zinc/14/04/36/277140436.db2.gz RYGAFCJAJKRLER-UHFFFAOYSA-N 2 0 253.390 0.786 10 0 CCAERP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000335939214 277161587 /nfs/dbraw/zinc/16/15/87/277161587.db2.gz TZVPGAUEWCVVRF-STQMWFEESA-N 2 0 251.374 0.635 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccnn2C)CC1 ZINC000121136727 278395347 /nfs/dbraw/zinc/39/53/47/278395347.db2.gz UOHONJNCPANWEW-CYBMUJFWSA-N 2 0 280.416 0.945 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188729655 278973944 /nfs/dbraw/zinc/97/39/44/278973944.db2.gz HBUYEIWFLPFXKG-NSHDSACASA-N 2 0 293.415 0.762 10 0 CCAERP CC[C@@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106386548 280207924 /nfs/dbraw/zinc/20/79/24/280207924.db2.gz JCLRFTQCRWNDAE-CVEARBPZSA-N 2 0 299.459 0.484 10 0 CCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000179855190 290084284 /nfs/dbraw/zinc/08/42/84/290084284.db2.gz HJXYYXDYUHZFJS-QEJZJMRPSA-N 2 0 297.443 0.665 10 0 CCAERP C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1C[NH3+] ZINC000261615721 290430935 /nfs/dbraw/zinc/43/09/35/290430935.db2.gz BSQLTLYURVGIPN-QCNOEVLYSA-N 2 0 255.362 0.079 10 0 CCAERP [NH3+]C[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000333950094 295252169 /nfs/dbraw/zinc/25/21/69/295252169.db2.gz XVEZLZWTECJVNI-AWEZNQCLSA-N 2 0 280.416 0.994 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262205282 295314022 /nfs/dbraw/zinc/31/40/22/295314022.db2.gz KZSPPYIXQHHUFF-CHWSQXEVSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333475184 297539243 /nfs/dbraw/zinc/53/92/43/297539243.db2.gz BJRRPBQKKSNBQJ-RNJOBUHISA-N 2 0 266.389 0.378 10 0 CCAERP C(CN1CCC[NH2+]CC1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000061275663 518389220 /nfs/dbraw/zinc/38/92/20/518389220.db2.gz RLKDVZUXCOWMGW-ZDUSSCGKSA-N 2 0 252.406 0.108 10 0 CCAERP C[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CO)CCOCC1 ZINC000052197456 521969007 /nfs/dbraw/zinc/96/90/07/521969007.db2.gz YOWWXCPQYZJLIO-ZDUSSCGKSA-N 2 0 256.390 0.849 10 0 CCAERP CC(C)C[C@@](C)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643212 519285587 /nfs/dbraw/zinc/28/55/87/519285587.db2.gz FHVAGHNNZIVJAA-HNNXBMFYSA-N 2 0 270.465 0.929 10 0 CCAERP CC(C)C[C@](C)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643213 519422442 /nfs/dbraw/zinc/42/24/42/519422442.db2.gz FHVAGHNNZIVJAA-OAHLLOKOSA-N 2 0 270.465 0.929 10 0 CCAERP CC(C)C[NH+]1CCN(C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000055081808 519726496 /nfs/dbraw/zinc/72/64/96/519726496.db2.gz JFLUCDFPSLSRDO-AWEZNQCLSA-N 2 0 255.406 0.625 10 0 CCAERP C[NH2+]Cc1cn(CC[N@H+](C)C2CCOCC2)nn1 ZINC000052481195 522143917 /nfs/dbraw/zinc/14/39/17/522143917.db2.gz WMJCUAOPNSRXMB-UHFFFAOYSA-N 2 0 253.350 0.108 10 0 CCAERP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963963 522342517 /nfs/dbraw/zinc/34/25/17/522342517.db2.gz PSYIFIQGCGYVHO-MELADBBJSA-N 2 0 265.405 0.834 10 0 CCAERP CC[C@](C)(C[NH2+]C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653738 523464458 /nfs/dbraw/zinc/46/44/58/523464458.db2.gz LXZRLOJLAHKEKV-OAHLLOKOSA-N 2 0 270.465 0.801 10 0 CCAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000157216191 523759742 /nfs/dbraw/zinc/75/97/42/523759742.db2.gz IZMAHTJVETYLQK-STQMWFEESA-N 2 0 253.390 0.962 10 0 CCAERP C[C@H]1CCC[C@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055126711 524177298 /nfs/dbraw/zinc/17/72/98/524177298.db2.gz PEWCIPVKIAKFHO-WCFLWFBJSA-N 2 0 253.390 0.960 10 0 CCAERP COC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262277719 536670412 /nfs/dbraw/zinc/67/04/12/536670412.db2.gz LHKBLRVJVGTEBW-QWHCGFSZSA-N 2 0 269.389 0.341 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311251103 623683287 /nfs/dbraw/zinc/68/32/87/623683287.db2.gz FAMHNKYFGYCFEU-LSDHHAIUSA-N 2 0 269.433 0.859 10 0 CCAERP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000251155710 649805749 /nfs/dbraw/zinc/80/57/49/649805749.db2.gz KSSJJJNLNCRBEM-ZNMIVQPWSA-N 2 0 295.427 0.746 10 0 CCAERP C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105079951 349720451 /nfs/dbraw/zinc/72/04/51/349720451.db2.gz AJMUFULGZVULFK-CQSZACIVSA-N 2 0 280.416 0.960 10 0 CCAERP C[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000117045942 349880866 /nfs/dbraw/zinc/88/08/66/349880866.db2.gz OGXVSHPBGKNLQB-TZMCWYRMSA-N 2 0 298.431 0.441 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252560723 137003297 /nfs/dbraw/zinc/00/32/97/137003297.db2.gz VVZASTAGEPUBLE-QNWHQSFQSA-N 2 0 267.373 0.093 10 0 CCAERP O=C(C1C[NH2+]C1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000263010208 137056863 /nfs/dbraw/zinc/05/68/63/137056863.db2.gz YLNXFCYMPQQKFP-OAHLLOKOSA-N 2 0 288.395 0.772 10 0 CCAERP C[C@@H]([NH3+])CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000261864624 137023190 /nfs/dbraw/zinc/02/31/90/137023190.db2.gz PYKNCWCKGXPRJV-VXGBXAGGSA-N 2 0 269.389 0.435 10 0 CCAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2COCCN2)C1 ZINC000263254443 137061566 /nfs/dbraw/zinc/06/15/66/137061566.db2.gz KJBDUVVUYHNZOE-HZSPNIEDSA-N 2 0 297.443 0.848 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000054308068 348549525 /nfs/dbraw/zinc/54/95/25/348549525.db2.gz XUEJERJTMDSNLI-AWEZNQCLSA-N 2 0 265.401 0.930 10 0 CCAERP Cc1cc2n(n1)C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CN2 ZINC000069327527 348840239 /nfs/dbraw/zinc/84/02/39/348840239.db2.gz VLOVPPYMCJRVGY-ZIAGYGMSSA-N 2 0 293.415 0.280 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCOC)C1 ZINC000171200643 350893571 /nfs/dbraw/zinc/89/35/71/350893571.db2.gz AUJMRRVDSRUFET-CYBMUJFWSA-N 2 0 286.420 0.348 10 0 CCAERP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1nccn1C ZINC000178441317 351232129 /nfs/dbraw/zinc/23/21/29/351232129.db2.gz MPDFWQDHSYVRSB-GFCCVEGCSA-N 2 0 266.389 0.775 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188883869 351636718 /nfs/dbraw/zinc/63/67/18/351636718.db2.gz NHXLZHNSTDJYKV-NWDGAFQWSA-N 2 0 257.353 0.487 10 0 CCAERP CC1CC[NH+](CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188699170 351618702 /nfs/dbraw/zinc/61/87/02/351618702.db2.gz VVKSUGXFZGAUSP-QWHCGFSZSA-N 2 0 271.380 0.925 10 0 CCAERP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccnn1C ZINC000192838306 351801057 /nfs/dbraw/zinc/80/10/57/351801057.db2.gz KSMVPOSHESJOCI-GFCCVEGCSA-N 2 0 266.389 0.775 10 0 CCAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000248950223 352468905 /nfs/dbraw/zinc/46/89/05/352468905.db2.gz AZVGDCPAJNFJPZ-AGIUHOORSA-N 2 0 283.416 0.681 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000250641082 352507021 /nfs/dbraw/zinc/50/70/21/352507021.db2.gz TWKYXMIIAPCSGU-XQQFMLRXSA-N 2 0 251.374 0.539 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000252601344 352520015 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CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(COC)CCCC[NH2+]2)C1 ZINC000638081161 374639328 /nfs/dbraw/zinc/63/93/28/374639328.db2.gz WCFABEWLBSZDID-UKRRQHHQSA-N 2 0 283.416 0.746 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000335285043 285265973 /nfs/dbraw/zinc/26/59/73/285265973.db2.gz HZNXJSRMPNMECX-LBPRGKRZSA-N 2 0 254.378 0.476 10 0 CCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306764431 389090984 /nfs/dbraw/zinc/09/09/84/389090984.db2.gz HFSCMCUTLURADX-FVQBIDKESA-N 2 0 275.396 0.525 10 0 CCAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1C[NH2+]C1 ZINC000263322752 389299861 /nfs/dbraw/zinc/29/98/61/389299861.db2.gz RSXGEDHXYARLCM-IJLUTSLNSA-N 2 0 253.390 0.688 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000335028456 389531530 /nfs/dbraw/zinc/53/15/30/389531530.db2.gz LCTWCHLCSIYPQN-LEPBTCBTSA-N 2 0 250.386 0.981 10 0 CCAERP O=C([C@@H]1CCNCC1(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335120228 389538299 /nfs/dbraw/zinc/53/82/99/389538299.db2.gz VJQPSDGOVKDGEM-RYUDHWBXSA-N 2 0 287.354 0.928 10 0 CCAERP C[C@H]([NH2+]CC(C)(C)N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000400349055 389797367 /nfs/dbraw/zinc/79/73/67/389797367.db2.gz JCXIQFZPCLIUAV-QWHCGFSZSA-N 2 0 255.406 0.685 10 0 CCAERP O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000649322274 390579880 /nfs/dbraw/zinc/57/98/80/390579880.db2.gz KQOSDKVNIAZNSQ-KGLIPLIRSA-N 2 0 281.400 0.309 10 0 CCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649293786 390554455 /nfs/dbraw/zinc/55/44/55/390554455.db2.gz ISNSPBUONSHPCD-OLZOCXBDSA-N 2 0 269.389 0.213 10 0 CCAERP COC[C@@]1(C(=O)NCC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000649310509 390569153 /nfs/dbraw/zinc/56/91/53/390569153.db2.gz PAQUJZGVWZAPQT-CQSZACIVSA-N 2 0 269.389 0.213 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000388828612 397508164 /nfs/dbraw/zinc/50/81/64/397508164.db2.gz WXZUAJFAGYKWTB-ILXRZTDVSA-N 2 0 269.433 0.856 10 0 CCAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+](C)C ZINC000152217657 286733418 /nfs/dbraw/zinc/73/34/18/286733418.db2.gz BVHUEFRGCPOWSF-RYUDHWBXSA-N 2 0 257.378 0.116 10 0 CCAERP C[C@@H]1CN(C(=O)N2CCC(C[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000334955443 296820581 /nfs/dbraw/zinc/82/05/81/296820581.db2.gz HQKYHOHCSPUVGR-BXUZGUMPSA-N 2 0 268.405 0.694 10 0 CCAERP C[NH+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616571185 411839871 /nfs/dbraw/zinc/83/98/71/411839871.db2.gz PPZQHIHMOUCYDJ-UONOGXRCSA-N 2 0 279.359 0.949 10 0 CCAERP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000653112605 412223855 /nfs/dbraw/zinc/22/38/55/412223855.db2.gz CVXNRFQRQITCMG-NXEZZACHSA-N 2 0 279.306 0.595 10 0 CCAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653110631 412224642 /nfs/dbraw/zinc/22/46/42/412224642.db2.gz PEQLLEBZZSSTEV-OPRDCNLKSA-N 2 0 279.306 0.452 10 0 CCAERP C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000035632934 172316447 /nfs/dbraw/zinc/31/64/47/172316447.db2.gz RWUBMNMIHZHEJG-LLVKDONJSA-N 2 0 285.413 0.807 10 0 CCAERP O=C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[NH2+]CC1 ZINC000035738356 172391535 /nfs/dbraw/zinc/39/15/35/172391535.db2.gz UXDXWLQKXJAGDT-RWMBFGLXSA-N 2 0 251.374 0.729 10 0 CCAERP O=C(C[NH2+]C1CCCC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000037394966 173175400 /nfs/dbraw/zinc/17/54/00/173175400.db2.gz DERCHRPCKGAHLA-CYBMUJFWSA-N 2 0 251.374 0.729 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662593575 414731088 /nfs/dbraw/zinc/73/10/88/414731088.db2.gz PLBLPZHLGGNBLN-NWDGAFQWSA-N 2 0 253.390 0.833 10 0 CCAERP CN(CC[NH2+]C1CCOCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192283 176074009 /nfs/dbraw/zinc/07/40/09/176074009.db2.gz WHDPEXXXXVLMLE-CYBMUJFWSA-N 2 0 255.406 0.639 10 0 CCAERP O=C(CCN1CC[NH2+]CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071497999 176192199 /nfs/dbraw/zinc/19/21/99/176192199.db2.gz BLPZOVIYAKWJTQ-UHFFFAOYSA-N 2 0 294.443 0.274 10 0 CCAERP CN(C)CC[N@@H+]1CC[C@H](CCN2CC[NH2+]CC2)C1 ZINC000077608922 177285425 /nfs/dbraw/zinc/28/54/25/177285425.db2.gz WMWCKJQESDETRF-AWEZNQCLSA-N 2 0 254.422 0.165 10 0 CCAERP CC(C)[C@H](C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258546 545882269 /nfs/dbraw/zinc/88/22/69/545882269.db2.gz RYIYEIGMUPDWBM-JTQLQIEISA-N 2 0 251.334 0.197 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000136364146 544639100 /nfs/dbraw/zinc/63/91/00/544639100.db2.gz IPFWZTKWKRDOLD-WCQYABFASA-N 2 0 253.390 0.960 10 0 CCAERP CC(C)[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)[NH+]1CCN(C)CC1 ZINC000136424585 544639506 /nfs/dbraw/zinc/63/95/06/544639506.db2.gz UCIHOSYFJCJKRI-GJZGRUSLSA-N 2 0 298.475 0.748 10 0 CCAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250356571 544922079 /nfs/dbraw/zinc/92/20/79/544922079.db2.gz OVNZKENLXYJEKF-AVGNSLFASA-N 2 0 253.390 0.914 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250643839 544924048 /nfs/dbraw/zinc/92/40/48/544924048.db2.gz UOYRYBCWYNIUPI-AGIUHOORSA-N 2 0 253.390 0.819 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000252923693 544932007 /nfs/dbraw/zinc/93/20/07/544932007.db2.gz KEZFVPLMOIJJCS-STQMWFEESA-N 2 0 281.400 0.450 10 0 CCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262080073 544939131 /nfs/dbraw/zinc/93/91/31/544939131.db2.gz DYJVGLNZGKGWCC-BSWAZPDLSA-N 2 0 289.423 0.677 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000262151605 544942269 /nfs/dbraw/zinc/94/22/69/544942269.db2.gz RGFUBOSPZOOKGD-HIFRSBDPSA-N 2 0 272.352 0.542 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H]1C ZINC000333898324 545044439 /nfs/dbraw/zinc/04/44/39/545044439.db2.gz ZLFOWHLUXYYOHX-ZOBORPQBSA-N 2 0 298.431 0.223 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000322584732 545016356 /nfs/dbraw/zinc/01/63/56/545016356.db2.gz IMVARDWKVIWMJA-ZLOUSURVSA-N 2 0 267.373 0.105 10 0 CCAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089451035 289066970 /nfs/dbraw/zinc/06/69/70/289066970.db2.gz RNCMITJZXSBFKW-DGCLKSJQSA-N 2 0 253.390 0.914 10 0 CCAERP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333491969 289216128 /nfs/dbraw/zinc/21/61/28/289216128.db2.gz DKSQWODHHFHBBA-OLZOCXBDSA-N 2 0 284.404 0.101 10 0 CCAERP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000333625408 290229834 /nfs/dbraw/zinc/22/98/34/290229834.db2.gz FTLNDEMBGBRDRH-RYUDHWBXSA-N 2 0 266.389 0.603 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000085364032 295314261 /nfs/dbraw/zinc/31/42/61/295314261.db2.gz RQRCEGPZRIEYPW-CHWSQXEVSA-N 2 0 251.374 0.857 10 0 CCAERP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000227140485 298176292 /nfs/dbraw/zinc/17/62/92/298176292.db2.gz DSRIHCLZHIFHTH-UHTWSYAYSA-N 2 0 251.374 0.585 10 0 CCAERP C[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC000333640943 300195194 /nfs/dbraw/zinc/19/51/94/300195194.db2.gz UJMHOXXRWVYANM-NHYWBVRUSA-N 2 0 273.380 0.794 10 0 CCAERP CC(C)[NH2+]CCS(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061653255 519722252 /nfs/dbraw/zinc/72/22/52/519722252.db2.gz SZXWEPLDTLQVMF-GFCCVEGCSA-N 2 0 277.434 0.340 10 0 CCAERP CC[NH+]1CCC(N(C)C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000163888680 521556262 /nfs/dbraw/zinc/55/62/62/521556262.db2.gz FLZLYKHBKZOIBK-LLVKDONJSA-N 2 0 253.390 0.785 10 0 CCAERP CC[NH+]1CCN(CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052180626 521677657 /nfs/dbraw/zinc/67/76/57/521677657.db2.gz CDMHYPQAJJXLTF-UHFFFAOYSA-N 2 0 255.406 0.640 10 0 CCAERP C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H]1C[NH+](C)C ZINC000061646047 522101772 /nfs/dbraw/zinc/10/17/72/522101772.db2.gz NFORFKQZVUZDJF-GFCCVEGCSA-N 2 0 265.405 0.978 10 0 CCAERP COCCC[N@H+](CCOC)Cc1cc(C[NH3+])no1 ZINC000052543263 523255125 /nfs/dbraw/zinc/25/51/25/523255125.db2.gz CTYXWNQLWLPEPC-UHFFFAOYSA-N 2 0 257.334 0.618 10 0 CCAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NN)[nH+]c1 ZINC000051114584 523795109 /nfs/dbraw/zinc/79/51/09/523795109.db2.gz SSONEDJTCIWFPF-LLVKDONJSA-N 2 0 263.345 0.581 10 0 CCAERP C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050945294 523958424 /nfs/dbraw/zinc/95/84/24/523958424.db2.gz SNKTVGRDSWPFMB-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP CSCC[C@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643128 525566429 /nfs/dbraw/zinc/56/64/29/525566429.db2.gz UHKSQEZQKJEQLN-CYBMUJFWSA-N 2 0 274.478 0.246 10 0 CCAERP [NH3+]CC1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000055160839 527165213 /nfs/dbraw/zinc/16/52/13/527165213.db2.gz OJEWDJPNPIBCHV-UHFFFAOYSA-N 2 0 253.390 0.964 10 0 CCAERP CCC[NH2+]CCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000261669676 535171529 /nfs/dbraw/zinc/17/15/29/535171529.db2.gz OZKFFFTZNGEMTR-ZDUSSCGKSA-N 2 0 257.378 0.118 10 0 CCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261708100 535728552 /nfs/dbraw/zinc/72/85/52/535728552.db2.gz FZYUVCXCYLOPDI-RRFJBIMHSA-N 2 0 296.459 0.504 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000136483634 614225039 /nfs/dbraw/zinc/22/50/39/614225039.db2.gz CBXNJPMWCZEMMH-JHJVBQTASA-N 2 0 269.389 0.339 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900378410 614214464 /nfs/dbraw/zinc/21/44/64/614214464.db2.gz QUGJBPGQRAYGAF-VNHYZAJKSA-N 2 0 285.432 0.534 10 0 CCAERP C[C@@H]1CN(C(=O)CN(C)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000231670359 637225847 /nfs/dbraw/zinc/22/58/47/637225847.db2.gz AXIKKKGTQXWVRP-CHWSQXEVSA-N 2 0 269.389 0.308 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1CC[NH2+]CC1 ZINC000094460802 349569090 /nfs/dbraw/zinc/56/90/90/349569090.db2.gz SYLQQODWZXHUHW-ZIAGYGMSSA-N 2 0 252.406 0.060 10 0 CCAERP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333628620 290683134 /nfs/dbraw/zinc/68/31/34/290683134.db2.gz GEWWCZQQTKJWFW-QWHCGFSZSA-N 2 0 268.405 0.770 10 0 CCAERP CN1CC[NH2+]C[C@@H]1c1noc(-c2c[nH+]ccc2N)n1 ZINC000263172373 137059654 /nfs/dbraw/zinc/05/96/54/137059654.db2.gz FYGLBLBMAJAWSE-SNVBAGLBSA-N 2 0 260.301 0.290 10 0 CCAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261824858 137021348 /nfs/dbraw/zinc/02/13/48/137021348.db2.gz PQINJKRRYWIRGP-UTUOFQBUSA-N 2 0 257.378 0.325 10 0 CCAERP C[C@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)C1CC[NH2+]CC1 ZINC000263312599 137064022 /nfs/dbraw/zinc/06/40/22/137064022.db2.gz YZHNUPAWHRYPIQ-DGCLKSJQSA-N 2 0 293.415 0.824 10 0 CCAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000037019535 348180520 /nfs/dbraw/zinc/18/05/20/348180520.db2.gz IACRMPDZKPFPMJ-STQMWFEESA-N 2 0 263.341 0.410 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000044526722 348321742 /nfs/dbraw/zinc/32/17/42/348321742.db2.gz SCSIOBQMZMYVGF-ZDUSSCGKSA-N 2 0 253.390 0.834 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000070542348 348892561 /nfs/dbraw/zinc/89/25/61/348892561.db2.gz XUYKCKLLMIFQFT-CYBMUJFWSA-N 2 0 261.369 0.964 10 0 CCAERP CCCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862067 186079839 /nfs/dbraw/zinc/07/98/39/186079839.db2.gz BJOPGMWRQYYEOV-CYBMUJFWSA-N 2 0 285.432 0.537 10 0 CCAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H]([NH+](C)C)C2)C1(C)C ZINC000157231016 350642182 /nfs/dbraw/zinc/64/21/82/350642182.db2.gz NCYGGACAYMEIHQ-ZOWXZIJZSA-N 2 0 283.416 0.681 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)CCO1 ZINC000165903965 350793385 /nfs/dbraw/zinc/79/33/85/350793385.db2.gz NOARNQOZQOVVRA-MCIONIFRSA-N 2 0 295.427 0.826 10 0 CCAERP C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CC12CCOCC2 ZINC000169792436 350840189 /nfs/dbraw/zinc/84/01/89/350840189.db2.gz NMQBMABRPZTPPP-GFCCVEGCSA-N 2 0 269.389 0.023 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747132 351244603 /nfs/dbraw/zinc/24/46/03/351244603.db2.gz MLYCLJSIERIDBC-LBPRGKRZSA-N 2 0 271.430 0.764 10 0 CCAERP [NH3+]C1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CCCC1 ZINC000178747395 351245051 /nfs/dbraw/zinc/24/50/51/351245051.db2.gz FFZNJVJMWZFJQV-UHFFFAOYSA-N 2 0 251.374 0.955 10 0 CCAERP CC(C)[NH2+]CCN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000191511588 351761906 /nfs/dbraw/zinc/76/19/06/351761906.db2.gz CBQRRYWEWCQSJH-AWEZNQCLSA-N 2 0 255.406 0.639 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)C(F)(F)F)CC1 ZINC000248584315 352446589 /nfs/dbraw/zinc/44/65/89/352446589.db2.gz PNRFODHIORXHFT-CMPLNLGQSA-N 2 0 298.349 0.934 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250633645 352507158 /nfs/dbraw/zinc/50/71/58/352507158.db2.gz RPDZOMYCTPPDOJ-CHWSQXEVSA-N 2 0 253.390 0.834 10 0 CCAERP CCCN(C(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000333705123 283012054 /nfs/dbraw/zinc/01/20/54/283012054.db2.gz RKNFOQQEPJLEJK-QWHCGFSZSA-N 2 0 268.405 0.912 10 0 CCAERP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333481135 354760216 /nfs/dbraw/zinc/76/02/16/354760216.db2.gz CCLKWYZRJASBFW-HZSPNIEDSA-N 2 0 298.431 0.225 10 0 CCAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333669559 354773457 /nfs/dbraw/zinc/77/34/57/354773457.db2.gz YCXGCJQKTUSQQE-RDBSUJKOSA-N 2 0 298.431 0.081 10 0 CCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333713374 354781414 /nfs/dbraw/zinc/78/14/14/354781414.db2.gz SPTUTACGDPGSPK-WOPDTQHZSA-N 2 0 252.362 0.132 10 0 CCAERP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335037016 354943981 /nfs/dbraw/zinc/94/39/81/354943981.db2.gz ZMLVXCUGBUMZNL-KBPBESRZSA-N 2 0 265.401 0.927 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@H](c2cc3ccccc3nn2)C1 ZINC000616634772 365394095 /nfs/dbraw/zinc/39/40/95/365394095.db2.gz XRTGGBAPMJIJDF-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634770870 372220521 /nfs/dbraw/zinc/22/05/21/372220521.db2.gz ZSFYKDFMFARWOL-OBJOEFQTSA-N 2 0 251.374 0.539 10 0 CCAERP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333502420 205380367 /nfs/dbraw/zinc/38/03/67/205380367.db2.gz DLFJLYRMCBNRCM-ZDUSSCGKSA-N 2 0 284.404 0.150 10 0 CCAERP [NH3+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC000637856338 374414846 /nfs/dbraw/zinc/41/48/46/374414846.db2.gz ZQLNWIBOYWCTDA-LBPRGKRZSA-N 2 0 251.374 0.716 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638107408 374674104 /nfs/dbraw/zinc/67/41/04/374674104.db2.gz FHGUNQHESBVDII-CHWSQXEVSA-N 2 0 251.374 0.977 10 0 CCAERP [NH3+]C[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCOC1 ZINC000638109374 374675579 /nfs/dbraw/zinc/67/55/79/374675579.db2.gz ULRMUVAQXUZEGB-OCCSQVGLSA-N 2 0 267.373 0.049 10 0 CCAERP CCC1([NH+](C)C)CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000638974875 375490343 /nfs/dbraw/zinc/49/03/43/375490343.db2.gz CZYFUUGNAVTCSZ-UHFFFAOYSA-N 2 0 283.416 0.827 10 0 CCAERP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000249096796 285101689 /nfs/dbraw/zinc/10/16/89/285101689.db2.gz MHMQCJGRVJIGFG-MGPQQGTHSA-N 2 0 256.390 0.848 10 0 CCAERP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000249096794 285101711 /nfs/dbraw/zinc/10/17/11/285101711.db2.gz MHMQCJGRVJIGFG-MCIONIFRSA-N 2 0 256.390 0.848 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC000185230224 388795023 /nfs/dbraw/zinc/79/50/23/388795023.db2.gz VYCFNGGXOAILPU-QWHCGFSZSA-N 2 0 298.431 0.177 10 0 CCAERP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000313114007 389110764 /nfs/dbraw/zinc/11/07/64/389110764.db2.gz OOJXXSJUTAOCEP-LSDHHAIUSA-N 2 0 285.432 0.096 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251428479 389262745 /nfs/dbraw/zinc/26/27/45/389262745.db2.gz TXLJWMOFVZQARW-STQMWFEESA-N 2 0 251.374 0.683 10 0 CCAERP CCC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262603216 389289571 /nfs/dbraw/zinc/28/95/71/389289571.db2.gz ZIHBLFWPFLIFFA-QWHCGFSZSA-N 2 0 271.405 0.467 10 0 CCAERP CN(C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000333741535 389442282 /nfs/dbraw/zinc/44/22/82/389442282.db2.gz XQRONHOYRGXOKN-CHWSQXEVSA-N 2 0 268.405 0.912 10 0 CCAERP COC[C@]1(C(=O)NCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000649281288 390548042 /nfs/dbraw/zinc/54/80/42/390548042.db2.gz YTBPZZQHPCCQMA-HNNXBMFYSA-N 2 0 283.416 0.747 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649298055 390557376 /nfs/dbraw/zinc/55/73/76/390557376.db2.gz NDJHTNVYMLAUNQ-OCCSQVGLSA-N 2 0 269.389 0.213 10 0 CCAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000647039671 390763397 /nfs/dbraw/zinc/76/33/97/390763397.db2.gz VUIBLXSZAZEVHT-ZIAGYGMSSA-N 2 0 277.368 0.058 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CC2CC(O)C2)CC1 ZINC000190185191 130071663 /nfs/dbraw/zinc/07/16/63/130071663.db2.gz PQCPBRCCHMTRQE-UHFFFAOYSA-N 2 0 297.443 0.678 10 0 CCAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](C[NH3+])C1 ZINC000261759463 296530377 /nfs/dbraw/zinc/53/03/77/296530377.db2.gz JOMATFLULLUCQD-KXNHARMFSA-N 2 0 255.362 0.079 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616572882 397598601 /nfs/dbraw/zinc/59/86/01/397598601.db2.gz XIISJYHJXPFNNP-UONOGXRCSA-N 2 0 261.369 0.891 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616572880 397598642 /nfs/dbraw/zinc/59/86/42/397598642.db2.gz XIISJYHJXPFNNP-KGLIPLIRSA-N 2 0 261.369 0.891 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2([NH3+])CCCC2)CC1 ZINC000179857253 287085018 /nfs/dbraw/zinc/08/50/18/287085018.db2.gz SHHQCSXXSQENRU-CYBMUJFWSA-N 2 0 297.443 0.809 10 0 CCAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000300408875 411743121 /nfs/dbraw/zinc/74/31/21/411743121.db2.gz DEKSNLSHDPMSTP-MDZLAQPJSA-N 2 0 253.390 0.960 10 0 CCAERP C[NH+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616571138 411841225 /nfs/dbraw/zinc/84/12/25/411841225.db2.gz JTGDZABKJAFEPB-JGVFFNPUSA-N 2 0 253.268 0.205 10 0 CCAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCNS(C)(=O)=O)CC1 ZINC000037221738 173042651 /nfs/dbraw/zinc/04/26/51/173042651.db2.gz QFISIMJOYZFJIP-LBPRGKRZSA-N 2 0 291.461 0.636 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264519 414702323 /nfs/dbraw/zinc/70/23/23/414702323.db2.gz SGJRNJPMOYHUGF-HZSPNIEDSA-N 2 0 265.401 0.676 10 0 CCAERP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH+](C)C ZINC000662278338 414705003 /nfs/dbraw/zinc/70/50/03/414705003.db2.gz FZFMIRZFZAUATH-AGIUHOORSA-N 2 0 253.390 0.389 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662738614 414751348 /nfs/dbraw/zinc/75/13/48/414751348.db2.gz YIXFSTLARDNONW-CYDGBPFRSA-N 2 0 251.374 0.809 10 0 CCAERP O[C@@]1(C[NH2+]CCn2cc(Cl)cn2)CCC[NH2+]C1 ZINC000072412400 176398916 /nfs/dbraw/zinc/39/89/16/176398916.db2.gz KUCFTWOKYDBSEY-NSHDSACASA-N 2 0 258.753 0.241 10 0 CCAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258499 545882393 /nfs/dbraw/zinc/88/23/93/545882393.db2.gz QQAOVYWGMHZDPX-GZMMTYOYSA-N 2 0 251.334 0.339 10 0 CCAERP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258278 545882626 /nfs/dbraw/zinc/88/26/26/545882626.db2.gz MPXHRJJQWUMXNM-SNVBAGLBSA-N 2 0 251.334 0.339 10 0 CCAERP CC(=O)N1CC[NH+](C2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC000725270110 545888343 /nfs/dbraw/zinc/88/83/43/545888343.db2.gz HHHWSPMOTYINRX-ROKHWSDSSA-N 2 0 251.374 0.811 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089456811 544513721 /nfs/dbraw/zinc/51/37/21/544513721.db2.gz JQJGWLRIWRXTBM-YNEHKIRRSA-N 2 0 251.374 0.668 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000136424612 544638676 /nfs/dbraw/zinc/63/86/76/544638676.db2.gz UCIHOSYFJCJKRI-HUUCEWRRSA-N 2 0 298.475 0.748 10 0 CCAERP C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000227644641 544836316 /nfs/dbraw/zinc/83/63/16/544836316.db2.gz JIOSXNKMELROHI-UONOGXRCSA-N 2 0 253.390 0.393 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000261651076 544936048 /nfs/dbraw/zinc/93/60/48/544936048.db2.gz BIVWJDIKRIVGPP-FVCCEPFGSA-N 2 0 251.374 0.714 10 0 CCAERP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261879480 544937436 /nfs/dbraw/zinc/93/74/36/544937436.db2.gz TYBWKKUAOSWIBF-SYLRKERUSA-N 2 0 253.390 0.864 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000262151607 544941725 /nfs/dbraw/zinc/94/17/25/544941725.db2.gz RGFUBOSPZOOKGD-UKRRQHHQSA-N 2 0 272.352 0.542 10 0 CCAERP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)[NH+]1CCCCC1 ZINC000262146365 544941786 /nfs/dbraw/zinc/94/17/86/544941786.db2.gz HMJMVYGWKAGTTF-MGPQQGTHSA-N 2 0 283.416 0.193 10 0 CCAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262099695 274472065 /nfs/dbraw/zinc/47/20/65/274472065.db2.gz IORYSMGYEIZNRL-GYSYKLTISA-N 2 0 295.358 0.713 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699987 288121643 /nfs/dbraw/zinc/12/16/43/288121643.db2.gz FKOQLQPBKQNJTR-OXHZDVMGSA-N 2 0 265.401 0.960 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000333394483 288128026 /nfs/dbraw/zinc/12/80/26/288128026.db2.gz PERNYEFLTNGHDV-KGYLQXTDSA-N 2 0 266.389 0.602 10 0 CCAERP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[NH+]1CCCCC1 ZINC000262146356 280173583 /nfs/dbraw/zinc/17/35/83/280173583.db2.gz HMJMVYGWKAGTTF-BFHYXJOUSA-N 2 0 283.416 0.193 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000336811821 288313843 /nfs/dbraw/zinc/31/38/43/288313843.db2.gz OPUWDWQQSVHQNH-VHDGCEQUSA-N 2 0 267.417 0.610 10 0 CCAERP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C1C[NH2+]C1 ZINC000262379361 289252871 /nfs/dbraw/zinc/25/28/71/289252871.db2.gz MUEJCRSWOJXPBU-RYUDHWBXSA-N 2 0 253.390 0.642 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000335394290 295627548 /nfs/dbraw/zinc/62/75/48/295627548.db2.gz GNEFMFWDZWCGMU-LBPRGKRZSA-N 2 0 252.362 0.132 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000094646937 300570100 /nfs/dbraw/zinc/57/01/00/300570100.db2.gz HKYXZIORMBVPRQ-DGCLKSJQSA-N 2 0 253.390 0.927 10 0 CCAERP C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)C[NH+]1CCCCC1 ZINC000577759387 335398199 /nfs/dbraw/zinc/39/81/99/335398199.db2.gz DPEHQYFYFFHDAV-CABCVRRESA-N 2 0 267.417 0.925 10 0 CCAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)CCOC)nn1 ZINC000052542721 519961389 /nfs/dbraw/zinc/96/13/89/519961389.db2.gz AAHXWLSOHXDZNL-UHFFFAOYSA-N 2 0 269.393 0.746 10 0 CCAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCCN(C(C)=O)CC1 ZINC000062741165 520306266 /nfs/dbraw/zinc/30/62/66/520306266.db2.gz JRYLWRMIKGVDFB-CYBMUJFWSA-N 2 0 257.378 0.295 10 0 CCAERP CC[NH2+]CCC[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654953 519920191 /nfs/dbraw/zinc/92/01/91/519920191.db2.gz HPMUSFHPESDNCH-HNNXBMFYSA-N 3 0 270.465 0.944 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630792 520688142 /nfs/dbraw/zinc/68/81/42/520688142.db2.gz NJDODAZAHWFMOF-LBPRGKRZSA-N 2 0 277.434 0.390 10 0 CCAERP COCC[N@H+](C)CCN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000061379292 523584170 /nfs/dbraw/zinc/58/41/70/523584170.db2.gz ZWHNFYCYKQPBDQ-CYBMUJFWSA-N 2 0 255.406 0.639 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000061401432 523596912 /nfs/dbraw/zinc/59/69/12/523596912.db2.gz HAUHXUPPVQWKJJ-FRRDWIJNSA-N 2 0 271.405 0.444 10 0 CCAERP CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000616569680 545103094 /nfs/dbraw/zinc/10/30/94/545103094.db2.gz JLPYBCSNTVCVCM-YPMHNXCESA-N 2 0 253.390 0.833 10 0 CCAERP [NH3+]CC1(N2CCC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000062940224 527163570 /nfs/dbraw/zinc/16/35/70/527163570.db2.gz VFMBMJSWHIPGOO-ZDUSSCGKSA-N 2 0 253.390 0.664 10 0 CCAERP CC(C)[NH+]1CCC(N2CC[NH2+]C[C@@H]2CCO)CC1 ZINC000072429117 622830930 /nfs/dbraw/zinc/83/09/30/622830930.db2.gz OXMSZRWSNBGYTP-AWEZNQCLSA-N 2 0 255.406 0.515 10 0 CCAERP [NH3+]C1CCC(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667910 649708487 /nfs/dbraw/zinc/70/84/87/649708487.db2.gz PYLYXKNEUBUWOD-PQAZSJQKSA-N 2 0 281.400 0.483 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000251272981 649808626 /nfs/dbraw/zinc/80/86/26/649808626.db2.gz CBXNJPMWCZEMMH-YNEHKIRRSA-N 2 0 269.389 0.339 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252651476 649830760 /nfs/dbraw/zinc/83/07/60/649830760.db2.gz OLQHRMIRGOADRA-CRWXNKLISA-N 2 0 281.400 0.354 10 0 CCAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668573 349472036 /nfs/dbraw/zinc/47/20/36/349472036.db2.gz PLNVCFGANSMPCK-UTUOFQBUSA-N 2 0 255.362 0.093 10 0 CCAERP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000093342608 349538941 /nfs/dbraw/zinc/53/89/41/349538941.db2.gz TYXXNECPYLTMOG-WFASDCNBSA-N 2 0 295.427 0.432 10 0 CCAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333627556 300569515 /nfs/dbraw/zinc/56/95/15/300569515.db2.gz GBTATGROTNDKFH-WYUUTHIRSA-N 2 0 252.362 0.130 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000261913661 137025715 /nfs/dbraw/zinc/02/57/15/137025715.db2.gz XUJOMXJQEOIBOK-KGYLQXTDSA-N 2 0 251.374 0.714 10 0 CCAERP C[C@H]1C[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC[NH2+]1 ZINC000262333592 137038966 /nfs/dbraw/zinc/03/89/66/137038966.db2.gz FFRWHEROVNURFX-SOUVJXGZSA-N 2 0 297.443 0.728 10 0 CCAERP C[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]C ZINC000013602319 348028510 /nfs/dbraw/zinc/02/85/10/348028510.db2.gz ILFVLTQJUFTVJS-UHFFFAOYSA-N 4 0 258.454 0.945 10 0 CCAERP C[C@@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)C[C@@H]1[NH+](C)C ZINC000124187094 350090535 /nfs/dbraw/zinc/09/05/35/350090535.db2.gz BFHHITUXWVENKM-ZJUUUORDSA-N 2 0 267.377 0.645 10 0 CCAERP C[NH+](C)[C@H](CNC(=O)C1C[NH2+]C1)c1cccs1 ZINC000091409317 180148155 /nfs/dbraw/zinc/14/81/55/180148155.db2.gz MEAFWPKKBZFJSV-SNVBAGLBSA-N 2 0 253.371 0.686 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129800297 350223157 /nfs/dbraw/zinc/22/31/57/350223157.db2.gz LEEWSSXYKJKVDH-AWEZNQCLSA-N 2 0 296.459 0.613 10 0 CCAERP CCC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+](C)C ZINC000162127527 350736931 /nfs/dbraw/zinc/73/69/31/350736931.db2.gz NGBOPJWMLRRZNI-GJZGRUSLSA-N 2 0 298.475 0.716 10 0 CCAERP CCC[C@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000180358091 351284352 /nfs/dbraw/zinc/28/43/52/351284352.db2.gz WCXSGWLPYYKXOI-CYBMUJFWSA-N 2 0 270.421 0.080 10 0 CCAERP CC[NH+](CC)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000181371776 351314289 /nfs/dbraw/zinc/31/42/89/351314289.db2.gz GVXJJLSBJIVTJW-HNNXBMFYSA-N 2 0 296.459 0.567 10 0 CCAERP O=C(NCC[C@@H]1CCC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188185481 351578823 /nfs/dbraw/zinc/57/88/23/351578823.db2.gz VDGWXDPSEHJNSI-JTQLQIEISA-N 2 0 277.372 0.175 10 0 CCAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000188766588 351626475 /nfs/dbraw/zinc/62/64/75/351626475.db2.gz CWKSTPDABHQLJN-ZDUSSCGKSA-N 2 0 259.353 0.906 10 0 CCAERP CC[NH+](CC)CCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000191786626 351772829 /nfs/dbraw/zinc/77/28/29/351772829.db2.gz TWLNBGWPWYPZPY-CQSZACIVSA-N 2 0 257.422 0.981 10 0 CCAERP C[NH+]1CCC2(C[NH2+]C[C@H]2C(=O)OCC2CC2)CC1 ZINC000211934607 351929998 /nfs/dbraw/zinc/92/99/98/351929998.db2.gz BRAXZUJNNWGUJC-LBPRGKRZSA-N 2 0 252.358 0.871 10 0 CCAERP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335236791 354992135 /nfs/dbraw/zinc/99/21/35/354992135.db2.gz HQJCTPIKZJXJIH-GFCCVEGCSA-N 2 0 266.389 0.570 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000333929663 283277000 /nfs/dbraw/zinc/27/70/00/283277000.db2.gz YMZRWEIFDFNNLO-GARJFASQSA-N 2 0 285.355 0.248 10 0 CCAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCN[C@H](CC[NH3+])C1 ZINC000616633494 365391151 /nfs/dbraw/zinc/39/11/51/365391151.db2.gz BILKLVGJZUENPF-LLVKDONJSA-N 2 0 272.393 0.134 10 0 CCAERP CCOC(=O)c1cccc([C@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616635995 365396071 /nfs/dbraw/zinc/39/60/71/365396071.db2.gz IBYRTBFFTOGGMG-CQSZACIVSA-N 2 0 277.368 0.768 10 0 CCAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000333138509 205063536 /nfs/dbraw/zinc/06/35/36/205063536.db2.gz CRUYYJYIGWWGIJ-KBPBESRZSA-N 2 0 298.431 0.083 10 0 CCAERP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000333358163 205250034 /nfs/dbraw/zinc/25/00/34/205250034.db2.gz KRTIULIMRXNWEZ-NWDGAFQWSA-N 2 0 268.405 0.910 10 0 CCAERP C[C@@H](CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCCCC1 ZINC000333528433 205408592 /nfs/dbraw/zinc/40/85/92/205408592.db2.gz HOKKOAZUJIXZAR-IHRRRGAJSA-N 2 0 298.431 0.225 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@H]12 ZINC000333653997 205557213 /nfs/dbraw/zinc/55/72/13/205557213.db2.gz KICUCNGFLVSIJA-FVCCEPFGSA-N 2 0 266.389 0.507 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc(C[NH3+])nc1 ZINC000638108726 374675230 /nfs/dbraw/zinc/67/52/30/374675230.db2.gz NVMPDSGNYLRBDQ-GFCCVEGCSA-N 2 0 277.372 0.492 10 0 CCAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH3+] ZINC000638331273 374931657 /nfs/dbraw/zinc/93/16/57/374931657.db2.gz JLZNZYYYEYMGEB-RYUDHWBXSA-N 2 0 251.374 0.668 10 0 CCAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638727489 375324021 /nfs/dbraw/zinc/32/40/21/375324021.db2.gz INWMHLHRYVKGPT-IVZWLZJFSA-N 2 0 279.306 0.595 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000335286176 208106425 /nfs/dbraw/zinc/10/64/25/208106425.db2.gz WNSZCEPBQCZODR-HIFRSBDPSA-N 2 0 280.416 0.866 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000248654708 285073440 /nfs/dbraw/zinc/07/34/40/285073440.db2.gz VYCFNGGXOAILPU-OLZOCXBDSA-N 2 0 298.431 0.177 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(CC)CC[NH2+]C2)C1 ZINC000062898893 285268201 /nfs/dbraw/zinc/26/82/01/285268201.db2.gz JMYSRIUPPUGGLZ-JSGCOSHPSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@H]1CN(CCN2CC[N@@H+]3CCCC[C@@H]3C2)CCO1 ZINC000192770074 389051595 /nfs/dbraw/zinc/05/15/95/389051595.db2.gz SPPFVBGOPXZSPD-LSDHHAIUSA-N 2 0 267.417 0.877 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310909007 389100096 /nfs/dbraw/zinc/10/00/96/389100096.db2.gz DQJPBHDBANPTAY-QWHCGFSZSA-N 2 0 253.390 0.912 10 0 CCAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)C[C@H]12 ZINC000248567503 389246732 /nfs/dbraw/zinc/24/67/32/389246732.db2.gz BZCPPRTYEHUJQY-IEECTRCBSA-N 2 0 251.374 0.700 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000333425409 389412588 /nfs/dbraw/zinc/41/25/88/389412588.db2.gz TWMWBZDLSSQRAZ-RSLMWUCJSA-N 2 0 266.389 0.458 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333938885 389450546 /nfs/dbraw/zinc/45/05/46/389450546.db2.gz MWEFUTCVLURYAO-RNJOBUHISA-N 2 0 266.389 0.459 10 0 CCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CC(C)(C)[NH3+])CC1 ZINC000179855009 389662847 /nfs/dbraw/zinc/66/28/47/389662847.db2.gz XZHPTGYDNYNTHT-LBPRGKRZSA-N 2 0 285.432 0.665 10 0 CCAERP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000649323362 390580771 /nfs/dbraw/zinc/58/07/71/390580771.db2.gz YDHSBXCUCXNQID-GFCCVEGCSA-N 2 0 269.389 0.213 10 0 CCAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649285179 390550920 /nfs/dbraw/zinc/55/09/20/390550920.db2.gz RINLDXSFNRZFAL-LBPRGKRZSA-N 2 0 269.389 0.165 10 0 CCAERP COC[C@@]1(C(=O)NCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000649293345 390553840 /nfs/dbraw/zinc/55/38/40/390553840.db2.gz NKVCKQCGQIUFIS-OAHLLOKOSA-N 2 0 283.416 0.603 10 0 CCAERP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649298099 390557784 /nfs/dbraw/zinc/55/77/84/390557784.db2.gz QNSLYKSRAGPNCR-IUODEOHRSA-N 2 0 281.400 0.356 10 0 CCAERP COCCC1(C(=O)NC[C@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000649298069 390557820 /nfs/dbraw/zinc/55/78/20/390557820.db2.gz NURPKSHZEWWALF-CYBMUJFWSA-N 2 0 283.416 0.461 10 0 CCAERP COC[C@]1(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCC[NH2+]1 ZINC000649298870 390558850 /nfs/dbraw/zinc/55/88/50/390558850.db2.gz DGLKIIZQBVAUGJ-ZFWWWQNUSA-N 2 0 285.432 0.848 10 0 CCAERP COCCC1(C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000649304935 390565612 /nfs/dbraw/zinc/56/56/12/390565612.db2.gz NVLXEAOGJTYRKZ-ZDUSSCGKSA-N 2 0 283.416 0.603 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000646533848 390691031 /nfs/dbraw/zinc/69/10/31/390691031.db2.gz IFBFBBYNMYBMDE-RWMBFGLXSA-N 2 0 253.390 0.785 10 0 CCAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000020303227 171140202 /nfs/dbraw/zinc/14/02/02/171140202.db2.gz PSTRSOWMSLSDNM-VXGBXAGGSA-N 2 0 286.420 0.931 10 0 CCAERP C[NH+](C)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105389 412220765 /nfs/dbraw/zinc/22/07/65/412220765.db2.gz SOIDDJJKHASFFM-RKDXNWHRSA-N 2 0 267.295 0.452 10 0 CCAERP C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000038083213 174092482 /nfs/dbraw/zinc/09/24/82/174092482.db2.gz ZBQNOCWRKVDNBY-NEPJUHHUSA-N 2 0 274.430 0.741 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662845076 414836069 /nfs/dbraw/zinc/83/60/69/414836069.db2.gz DGUBDCPMYZFZPQ-QWHCGFSZSA-N 2 0 283.416 0.459 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000071193294 176075439 /nfs/dbraw/zinc/07/54/39/176075439.db2.gz FNDDEJMEUOFGBJ-UPJWGTAASA-N 2 0 253.390 0.914 10 0 CCAERP CC[NH+]1CCN(C[C@H](CC[NH3+])[NH+]2CCCCC2)CC1 ZINC000076705778 177065434 /nfs/dbraw/zinc/06/54/34/177065434.db2.gz USBYMSORKLYEPV-HNNXBMFYSA-N 3 0 268.449 0.827 10 0 CCAERP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CS(=O)(=O)N2CC ZINC000725256559 545879520 /nfs/dbraw/zinc/87/95/20/545879520.db2.gz URNOAJOPOLQMNQ-NSHDSACASA-N 2 0 275.418 0.224 10 0 CCAERP [NH3+]Cc1ncc(CNc2ccnn2C2C[NH2+]C2)s1 ZINC000725260483 545881596 /nfs/dbraw/zinc/88/15/96/545881596.db2.gz UJDJQXZULPKWDC-UHFFFAOYSA-N 2 0 264.358 0.555 10 0 CCAERP [NH3+]C[C@H]1[C@H](CNc2ccnn2C2C[NH2+]C2)C1(F)F ZINC000725259494 545882374 /nfs/dbraw/zinc/88/23/74/545882374.db2.gz CLURWRCPDIJPFB-IUCAKERBSA-N 2 0 257.288 0.279 10 0 CCAERP C[NH+](C)[C@@H]1CCCN([C@H]2C[C@@H]([NH3+])C23CCOCC3)C1 ZINC000725264575 545884426 /nfs/dbraw/zinc/88/44/26/545884426.db2.gz XFKZJJBPEHFCSC-MCIONIFRSA-N 2 0 267.417 0.909 10 0 CCAERP CC[NH+]1CCN([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264330 545884764 /nfs/dbraw/zinc/88/47/64/545884764.db2.gz HQIBHTWENNNZAS-QWHCGFSZSA-N 2 0 253.390 0.520 10 0 CCAERP C(CN1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000094439567 544544672 /nfs/dbraw/zinc/54/46/72/544544672.db2.gz DUNHQFDIXLDBLY-AWEZNQCLSA-N 2 0 252.406 0.062 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1C ZINC000246216200 544908652 /nfs/dbraw/zinc/90/86/52/544908652.db2.gz GFTOBRXBMIBOPG-MNOVXSKESA-N 2 0 257.378 0.027 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250219613 544922301 /nfs/dbraw/zinc/92/23/01/544922301.db2.gz DPVLBWQAXFMRDX-AGIUHOORSA-N 2 0 253.390 0.962 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250366415 544922314 /nfs/dbraw/zinc/92/23/14/544922314.db2.gz UWWHZTLXSDMCNI-FRRDWIJNSA-N 2 0 253.390 0.819 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)COCC[NH3+] ZINC000251867551 544928473 /nfs/dbraw/zinc/92/84/73/544928473.db2.gz SZUUGBDLRCMPMS-RYUDHWBXSA-N 2 0 255.362 0.047 10 0 CCAERP COC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915531 277056229 /nfs/dbraw/zinc/05/62/29/277056229.db2.gz PYYFCCBJSYCZKT-LBPRGKRZSA-N 2 0 272.389 0.574 10 0 CCAERP CC(C)[NH+]1CCC(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000174922762 277581824 /nfs/dbraw/zinc/58/18/24/277581824.db2.gz PDVYRDNJXNFCLQ-OAHLLOKOSA-N 2 0 297.443 0.896 10 0 CCAERP CC[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000261716954 288266396 /nfs/dbraw/zinc/26/63/96/288266396.db2.gz JRVUFKOSLCRTED-LJISPDSOSA-N 2 0 297.443 0.665 10 0 CCAERP CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000246248990 281127912 /nfs/dbraw/zinc/12/79/12/281127912.db2.gz JQNIFAVDQARWIH-STQMWFEESA-N 2 0 283.416 0.562 10 0 CCAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333672160 289015725 /nfs/dbraw/zinc/01/57/25/289015725.db2.gz NHDZGXNMGAUABO-QJPTWQEYSA-N 2 0 254.378 0.520 10 0 CCAERP CO[C@@H](C[NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000227370784 293514284 /nfs/dbraw/zinc/51/42/84/293514284.db2.gz WYGQDLIMXAFBPA-LBPRGKRZSA-N 2 0 255.362 0.047 10 0 CCAERP C[C@H]1CCN(C(=O)CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000261661584 299922629 /nfs/dbraw/zinc/92/26/29/299922629.db2.gz CANCYATYCYJOLD-AAEUAGOBSA-N 2 0 253.390 0.962 10 0 CCAERP CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[NH+]1CC ZINC000386178546 545085830 /nfs/dbraw/zinc/08/58/30/545085830.db2.gz TZEWFYZDFNVLDC-UONOGXRCSA-N 2 0 257.422 0.715 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333919018 300321870 /nfs/dbraw/zinc/32/18/70/300321870.db2.gz ORGOIPUJECLTHJ-UMSGYPCISA-N 2 0 266.389 0.378 10 0 CCAERP CC[NH+]1CCN([C@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536957107 330383409 /nfs/dbraw/zinc/38/34/09/330383409.db2.gz BIPWCZPGEJBKIG-UONOGXRCSA-N 2 0 297.443 0.944 10 0 CCAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061271380 520065397 /nfs/dbraw/zinc/06/53/97/520065397.db2.gz LYQHRUMIRLIOIZ-NWDGAFQWSA-N 2 0 253.390 0.975 10 0 CCAERP CCCC[C@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643144 521189071 /nfs/dbraw/zinc/18/90/71/521189071.db2.gz QNQWMTQVJNTZAM-CQSZACIVSA-N 2 0 256.438 0.683 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449348043 545096472 /nfs/dbraw/zinc/09/64/72/545096472.db2.gz ALOZUOLBHBCHHU-XQHKEYJVSA-N 2 0 251.374 0.809 10 0 CCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049220434 523742192 /nfs/dbraw/zinc/74/21/92/523742192.db2.gz AHHNIUSFRAYLCQ-TUAOUCFPSA-N 2 0 257.378 0.066 10 0 CCAERP O=S(=O)(C1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000069051530 527163925 /nfs/dbraw/zinc/16/39/25/527163925.db2.gz BINMKNPZSDGXDG-GFCCVEGCSA-N 2 0 287.429 0.238 10 0 CCAERP [NH3+]CCCC[NH+]1CCN(CCn2cccn2)CC1 ZINC000049313893 527175733 /nfs/dbraw/zinc/17/57/33/527175733.db2.gz OEJKHZAOOVVFCC-UHFFFAOYSA-N 2 0 251.378 0.240 10 0 CCAERP Cn1ncc(C[NH3+])c1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000675055969 545320600 /nfs/dbraw/zinc/32/06/00/545320600.db2.gz FPQYNOJOTCLLFY-GFCCVEGCSA-N 2 0 251.378 0.405 10 0 CCAERP CC(C)[NH+]1CCN(Cc2c(C[NH3+])cnn2C)CC1 ZINC000675056015 545320686 /nfs/dbraw/zinc/32/06/86/545320686.db2.gz IAXAQIXUJDQYAU-UHFFFAOYSA-N 2 0 251.378 0.405 10 0 CCAERP Cc1cc(N)nc(N2CCO[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000892388733 623124056 /nfs/dbraw/zinc/12/40/56/623124056.db2.gz GBJCWUMSQUBYSU-JTQLQIEISA-N 2 0 251.334 0.134 10 0 CCAERP CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000049645719 624491333 /nfs/dbraw/zinc/49/13/33/624491333.db2.gz BHPRYTMDUIQSFK-NWDGAFQWSA-N 2 0 275.418 0.142 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]12 ZINC000307953681 624837851 /nfs/dbraw/zinc/83/78/51/624837851.db2.gz YBZFXXSRNYAAME-UTINFBMNSA-N 2 0 252.280 0.969 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000094459878 631262735 /nfs/dbraw/zinc/26/27/35/631262735.db2.gz YWAZXMRVTQNVID-RWMBFGLXSA-N 2 0 251.374 0.681 10 0 CCAERP [NH3+]C1CCC(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000091667911 649708994 /nfs/dbraw/zinc/70/89/94/649708994.db2.gz PYLYXKNEUBUWOD-HOAMVYINSA-N 2 0 281.400 0.483 10 0 CCAERP CN1CCO[C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000104779728 349717946 /nfs/dbraw/zinc/71/79/46/349717946.db2.gz NRQFGMAECJHWOT-AWEZNQCLSA-N 2 0 296.415 0.243 10 0 CCAERP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H](C)[NH3+] ZINC000249062026 295727816 /nfs/dbraw/zinc/72/78/16/295727816.db2.gz PJJHZOHFPYFLAZ-RDBSUJKOSA-N 2 0 283.416 0.541 10 0 CCAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252551153 137003259 /nfs/dbraw/zinc/00/32/59/137003259.db2.gz PLNVCFGANSMPCK-TUAOUCFPSA-N 2 0 255.362 0.093 10 0 CCAERP C[NH2+]CCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262389730 137041802 /nfs/dbraw/zinc/04/18/02/137041802.db2.gz OBGWYMIGQKCMBN-KBPBESRZSA-N 2 0 279.359 0.997 10 0 CCAERP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)[N@H+](C)Cc1ccccc1 ZINC000262326890 137038568 /nfs/dbraw/zinc/03/85/68/137038568.db2.gz GFMPPVCXJWJXMN-SNPRPXQTSA-N 2 0 291.395 0.203 10 0 CCAERP C[C@@H](CNC(=O)C1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000263303526 137063386 /nfs/dbraw/zinc/06/33/86/137063386.db2.gz NXPYFHXNPAGJIZ-LBPRGKRZSA-N 2 0 261.369 0.843 10 0 CCAERP C[NH+]1CCC(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054292193 348548005 /nfs/dbraw/zinc/54/80/05/348548005.db2.gz DUWLKHAITUEUBO-ZDUSSCGKSA-N 2 0 253.390 0.834 10 0 CCAERP [NH3+][C@H]1CC[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)C[C@H]21 ZINC000185090769 351430975 /nfs/dbraw/zinc/43/09/75/351430975.db2.gz BZCPPRTYEHUJQY-YYHQMBLXSA-N 2 0 251.374 0.700 10 0 CCAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188946099 351642006 /nfs/dbraw/zinc/64/20/06/351642006.db2.gz ZRAZMERICQKNKT-MFKMUULPSA-N 2 0 291.399 0.514 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190743408 351733083 /nfs/dbraw/zinc/73/30/83/351733083.db2.gz MEBAAXRVPRMDHU-NEPJUHHUSA-N 2 0 251.374 0.872 10 0 CCAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000225554146 352008898 /nfs/dbraw/zinc/00/88/98/352008898.db2.gz RZHILAHYCAHBTR-CABCVRRESA-N 2 0 297.443 0.680 10 0 CCAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000247111307 352400194 /nfs/dbraw/zinc/40/01/94/352400194.db2.gz QPTKIVSPBWRTBA-HZSPNIEDSA-N 2 0 255.406 0.779 10 0 CCAERP CN(C)c1cc[nH+]cc1CN1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299743134 354043721 /nfs/dbraw/zinc/04/37/21/354043721.db2.gz LZSBNVSEFZPEIU-KGLIPLIRSA-N 2 0 262.357 0.320 10 0 CCAERP [NH3+][C@@H]1COC[C@@H]1Nc1ccncc1Br ZINC000306498781 354175147 /nfs/dbraw/zinc/17/51/47/354175147.db2.gz GYWXDUKTJZJUSY-APPZFPTMSA-N 2 0 258.119 0.982 10 0 CCAERP C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCC(C)CC1 ZINC000333833549 354802160 /nfs/dbraw/zinc/80/21/60/354802160.db2.gz TYAMIIBXJSJDAZ-RDBSUJKOSA-N 2 0 298.431 0.081 10 0 CCAERP C[N@H+]1CC=C(CNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333784566 354792956 /nfs/dbraw/zinc/79/29/56/354792956.db2.gz FEIUREBVLVQIJS-ZDUSSCGKSA-N 2 0 266.389 0.690 10 0 CCAERP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335236799 354992305 /nfs/dbraw/zinc/99/23/05/354992305.db2.gz HQJCTPIKZJXJIH-LBPRGKRZSA-N 2 0 266.389 0.570 10 0 CCAERP 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FSGFDTUVEQKQHP-UONOGXRCSA-N 2 0 265.401 0.977 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762653 372209175 /nfs/dbraw/zinc/20/91/75/372209175.db2.gz CQTBKLBMXIZQCZ-YDHLFZDLSA-N 2 0 265.401 0.977 10 0 CCAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000333493898 205372621 /nfs/dbraw/zinc/37/26/21/205372621.db2.gz CQCFZZGJGVXYDC-TZMCWYRMSA-N 2 0 280.416 0.934 10 0 CCAERP O=C(NC[C@@H]1CCC[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000333781704 205699215 /nfs/dbraw/zinc/69/92/15/205699215.db2.gz DVBHTGSHUGSQKJ-AWEZNQCLSA-N 2 0 280.416 0.912 10 0 CCAERP O=C(CCC1C[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000638086661 374647255 /nfs/dbraw/zinc/64/72/55/374647255.db2.gz IHAUOEKSGMPQIP-ZDUSSCGKSA-N 2 0 251.374 0.683 10 0 CCAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000638115839 374681826 /nfs/dbraw/zinc/68/18/26/374681826.db2.gz JPKFNDHOIYYTRK-CXTNEJHOSA-N 2 0 281.400 0.449 10 0 CCAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000638979370 375493988 /nfs/dbraw/zinc/49/39/88/375493988.db2.gz CDQSEUGXMNKMFK-LLVKDONJSA-N 2 0 257.378 0.293 10 0 CCAERP C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000334949535 207342021 /nfs/dbraw/zinc/34/20/21/207342021.db2.gz UQRDUIZRJKTHGZ-NWDGAFQWSA-N 2 0 266.389 0.640 10 0 CCAERP CC[N@H+](CCNC(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000219909839 389138689 /nfs/dbraw/zinc/13/86/89/389138689.db2.gz DCIAFDAXUYJOKM-GFCCVEGCSA-N 2 0 253.390 0.977 10 0 CCAERP CC[C@@H](O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161937914 389412170 /nfs/dbraw/zinc/41/21/70/389412170.db2.gz CFHSOVJCHIRUSE-LSDHHAIUSA-N 2 0 269.433 0.859 10 0 CCAERP C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333733633 389441471 /nfs/dbraw/zinc/44/14/71/389441471.db2.gz WNRKPOVCJKKSHD-YPMHNXCESA-N 2 0 268.405 0.897 10 0 CCAERP CN(C(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000333741542 389442444 /nfs/dbraw/zinc/44/24/44/389442444.db2.gz XQRONHOYRGXOKN-STQMWFEESA-N 2 0 268.405 0.912 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC000333929661 389450750 /nfs/dbraw/zinc/45/07/50/389450750.db2.gz YMZRWEIFDFNNLO-AXFHLTTASA-N 2 0 285.355 0.248 10 0 CCAERP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000334805048 389505647 /nfs/dbraw/zinc/50/56/47/389505647.db2.gz REEIOCPFHJRDFG-KBPBESRZSA-N 2 0 280.416 0.960 10 0 CCAERP CN(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000335287586 389546079 /nfs/dbraw/zinc/54/60/79/389546079.db2.gz KAUHRDZYPCYFAF-NWDGAFQWSA-N 2 0 252.362 0.226 10 0 CCAERP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000173362354 389501560 /nfs/dbraw/zinc/50/15/60/389501560.db2.gz OUGHLLJJBZRSCU-ZIAGYGMSSA-N 2 0 285.432 0.632 10 0 CCAERP COC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000180710516 389674445 /nfs/dbraw/zinc/67/44/45/389674445.db2.gz GBEFJAPIFUBYJM-STQMWFEESA-N 2 0 265.357 0.823 10 0 CCAERP COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000649328096 390585853 /nfs/dbraw/zinc/58/58/53/390585853.db2.gz XJMMOFMIADJPIW-GXTWGEPZSA-N 2 0 267.373 0.062 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649328337 390586173 /nfs/dbraw/zinc/58/61/73/390586173.db2.gz PLWBZLPMYATRAQ-QWHCGFSZSA-N 2 0 269.389 0.165 10 0 CCAERP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000649301598 390560919 /nfs/dbraw/zinc/56/09/19/390560919.db2.gz GENHNPLRNXDRPL-GUTXKFCHSA-N 2 0 281.400 0.498 10 0 CCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649318453 390576346 /nfs/dbraw/zinc/57/63/46/390576346.db2.gz LRPVDSOXDSEEIT-TZMCWYRMSA-N 2 0 271.405 0.602 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649337543 390593338 /nfs/dbraw/zinc/59/33/38/390593338.db2.gz SQOPZQAZHXVMNK-MCIONIFRSA-N 2 0 281.400 0.308 10 0 CCAERP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CCC[NH2+]2)ccn1 ZINC000237193273 131012485 /nfs/dbraw/zinc/01/24/85/131012485.db2.gz ZRVKKWHVTYEKGK-CYBMUJFWSA-N 2 0 292.383 0.390 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258328332 397440665 /nfs/dbraw/zinc/44/06/65/397440665.db2.gz DNCCWCYHWFRURD-VXGBXAGGSA-N 2 0 254.378 0.522 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000333634230 296851420 /nfs/dbraw/zinc/85/14/20/296851420.db2.gz HCSHOQKCKSLDFU-UTUOFQBUSA-N 2 0 254.378 0.520 10 0 CCAERP C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000062980722 411688138 /nfs/dbraw/zinc/68/81/38/411688138.db2.gz MGKPZJPUCNBHDD-OAHLLOKOSA-N 2 0 267.417 0.783 10 0 CCAERP CC[NH+]1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000019424092 170794233 /nfs/dbraw/zinc/79/42/33/170794233.db2.gz QJJCTFVJORRYAL-UHFFFAOYSA-N 3 0 254.422 0.437 10 0 CCAERP CC[NH+](CC)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653104560 412219540 /nfs/dbraw/zinc/21/95/40/412219540.db2.gz LGBUTCQPIFUZJZ-NXEZZACHSA-N 2 0 281.322 0.842 10 0 CCAERP CC[C@H](C)[C@H]([NH3+])C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000037824922 173779923 /nfs/dbraw/zinc/77/99/23/173779923.db2.gz MWDUTXRJPVPYCB-AAEUAGOBSA-N 2 0 271.405 0.275 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662789500 414795452 /nfs/dbraw/zinc/79/54/52/414795452.db2.gz YCZWDABYYXDBHC-NSHDSACASA-N 2 0 251.374 0.811 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000662846259 414838622 /nfs/dbraw/zinc/83/86/22/414838622.db2.gz OTDLICIPDHGLIU-GFCCVEGCSA-N 2 0 283.416 0.731 10 0 CCAERP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851591 414841658 /nfs/dbraw/zinc/84/16/58/414841658.db2.gz BXJZGQGIVNXCIX-DOMZBBRYSA-N 2 0 283.416 0.744 10 0 CCAERP COC[C@@]1(C(=O)NCC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662857389 414848647 /nfs/dbraw/zinc/84/86/47/414848647.db2.gz APOGZVBSGHYUJN-WCQYABFASA-N 2 0 257.378 0.211 10 0 CCAERP C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000665230872 415569339 /nfs/dbraw/zinc/56/93/39/415569339.db2.gz XKXXWZKBOLQANY-NEPJUHHUSA-N 2 0 277.434 0.246 10 0 CCAERP c1cc(NC[C@@H]2CSCC[NH2+]2)n(C2C[NH2+]C2)n1 ZINC000725258010 545880194 /nfs/dbraw/zinc/88/01/94/545880194.db2.gz CWASLOYRZMMEHS-SECBINFHSA-N 2 0 253.375 0.144 10 0 CCAERP CC(C)C[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258649 545881910 /nfs/dbraw/zinc/88/19/10/545881910.db2.gz VXXIRCSMSBWVIQ-JTQLQIEISA-N 2 0 251.334 0.339 10 0 CCAERP c1cc(NC[C@H]2C[NH2+]CCS2)n(C2C[NH2+]C2)n1 ZINC000725260160 545882216 /nfs/dbraw/zinc/88/22/16/545882216.db2.gz OIFBYZINACYROM-SNVBAGLBSA-N 2 0 253.375 0.144 10 0 CCAERP CC[C@@H]([NH3+])CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258270 545882496 /nfs/dbraw/zinc/88/24/96/545882496.db2.gz MIKRTOXMVREDAJ-SECBINFHSA-N 2 0 251.334 0.483 10 0 CCAERP C[NH+](C)CCn1nnc([C@@H]2CCCCO2)c1C[NH3+] ZINC000725269278 545886594 /nfs/dbraw/zinc/88/65/94/545886594.db2.gz OANLNFSXVSBUID-NSHDSACASA-N 2 0 253.350 0.540 10 0 CCAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+](C)C ZINC000152217774 287469863 /nfs/dbraw/zinc/46/98/63/287469863.db2.gz BVHUEFRGCPOWSF-NWDGAFQWSA-N 2 0 257.378 0.116 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458278 544514522 /nfs/dbraw/zinc/51/45/22/544514522.db2.gz PEEXCWIGFLXXDM-YPMHNXCESA-N 2 0 253.390 0.962 10 0 CCAERP C[C@]1(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CC[NH2+]C1 ZINC000222905567 544824777 /nfs/dbraw/zinc/82/47/77/544824777.db2.gz XIUIIPKTTBDNAN-KGLIPLIRSA-N 2 0 253.390 0.393 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250366412 544921925 /nfs/dbraw/zinc/92/19/25/544921925.db2.gz UWWHZTLXSDMCNI-AGIUHOORSA-N 2 0 253.390 0.819 10 0 CCAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2C[NH2+]C2)C1 ZINC000263307785 278002852 /nfs/dbraw/zinc/00/28/52/278002852.db2.gz OSKNBSLVAYATJT-TXEJJXNPSA-N 2 0 253.390 0.690 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@H]1C ZINC000246178546 278290485 /nfs/dbraw/zinc/29/04/85/278290485.db2.gz BXQMQDJSJMJVCY-OLZOCXBDSA-N 2 0 283.416 0.290 10 0 CCAERP CC1(C)CN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000334940245 281179075 /nfs/dbraw/zinc/17/90/75/281179075.db2.gz HQELORRDWMSAQF-GHMZBOCLSA-N 2 0 254.378 0.507 10 0 CCAERP CN(C)C(=O)C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC000032500605 288956708 /nfs/dbraw/zinc/95/67/08/288956708.db2.gz WSJVYZOXAZCUGX-UHFFFAOYSA-N 2 0 253.390 0.786 10 0 CCAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2C[NH2+]C2)C1 ZINC000335379884 290177408 /nfs/dbraw/zinc/17/74/08/290177408.db2.gz UPWHFPCVERSTJH-ZYHUDNBSSA-N 2 0 252.362 0.084 10 0 CCAERP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333944164 295252597 /nfs/dbraw/zinc/25/25/97/295252597.db2.gz RREJYIKYQUJHRY-XQQFMLRXSA-N 2 0 266.389 0.746 10 0 CCAERP [NH3+][C@H]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000085364035 295338659 /nfs/dbraw/zinc/33/86/59/295338659.db2.gz RQRCEGPZRIEYPW-OLZOCXBDSA-N 2 0 251.374 0.857 10 0 CCAERP C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCC[NH2+]1 ZINC000334590171 300756990 /nfs/dbraw/zinc/75/69/90/300756990.db2.gz NCEDGBALGSKFPY-KGLIPLIRSA-N 2 0 251.374 0.731 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333647509 303464733 /nfs/dbraw/zinc/46/47/33/303464733.db2.gz JGWPTVOUKWRCRC-XQHKEYJVSA-N 2 0 266.389 0.507 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000335386045 303747693 /nfs/dbraw/zinc/74/76/93/303747693.db2.gz IODYGSQOAXHJNL-LBPRGKRZSA-N 2 0 252.362 0.228 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384256562 336122941 /nfs/dbraw/zinc/12/29/41/336122941.db2.gz OLXZQZSNKITPKA-KBPBESRZSA-N 2 0 283.416 0.555 10 0 CCAERP CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)CCC[NH3+] ZINC000048276761 520631061 /nfs/dbraw/zinc/63/10/61/520631061.db2.gz BUEJISOZPIXTPM-GFCCVEGCSA-N 2 0 279.450 0.765 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)CCC[NH2+]C(C)C ZINC000049641506 520688127 /nfs/dbraw/zinc/68/81/27/520688127.db2.gz JZEXHBMBCDOVBX-UHFFFAOYSA-N 2 0 279.450 0.636 10 0 CCAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000055131669 524391872 /nfs/dbraw/zinc/39/18/72/524391872.db2.gz VLBRYGPBBUEEAP-FRRDWIJNSA-N 2 0 253.390 0.962 10 0 CCAERP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C1CNC[NH2+]C1 ZINC000669384843 545206278 /nfs/dbraw/zinc/20/62/78/545206278.db2.gz JFESKUDHTZKLEP-VXGBXAGGSA-N 2 0 284.404 0.256 10 0 CCAERP C[NH2+][C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000262322796 536334141 /nfs/dbraw/zinc/33/41/41/536334141.db2.gz FKZYCADGQIYZRP-CYBMUJFWSA-N 2 0 279.388 0.233 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@H]2CCOC2=O)CC1 ZINC000247074164 649701612 /nfs/dbraw/zinc/70/16/12/649701612.db2.gz XCFDVAKFBLTFCY-ZFWWWQNUSA-N 2 0 298.427 0.964 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000251272978 649808589 /nfs/dbraw/zinc/80/85/89/649808589.db2.gz CBXNJPMWCZEMMH-RWMBFGLXSA-N 2 0 269.389 0.339 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091543813 349466866 /nfs/dbraw/zinc/46/68/66/349466866.db2.gz MMCOQMHRECAXEX-STQMWFEESA-N 2 0 253.390 0.962 10 0 CCAERP C[NH+](C)CCOCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300424753 282108606 /nfs/dbraw/zinc/10/86/06/282108606.db2.gz IXFFUMZHVFGCDN-JHJVBQTASA-N 2 0 256.390 0.968 10 0 CCAERP [NH3+]C[C@H]1COC[C@@H]2C[N@H+](Cc3ccccc3)CCN12 ZINC000096949407 185138472 /nfs/dbraw/zinc/13/84/72/185138472.db2.gz IUNBPLQGOSAEHK-GJZGRUSLSA-N 2 0 261.369 0.530 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261781353 137019616 /nfs/dbraw/zinc/01/96/16/137019616.db2.gz PFQMAKIEJGTLKO-YRGRVCCFSA-N 2 0 265.401 0.962 10 0 CCAERP CCC[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000120617135 349996905 /nfs/dbraw/zinc/99/69/05/349996905.db2.gz YNQXQTMRDQFBSQ-DGCLKSJQSA-N 2 0 259.394 0.146 10 0 CCAERP [NH3+][C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000133957335 350349898 /nfs/dbraw/zinc/34/98/98/350349898.db2.gz SPNRHLRZMQALFV-CQSZACIVSA-N 2 0 259.353 0.821 10 0 CCAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@H]([NH+](C)C)C2)C1(C)C ZINC000157231322 350642015 /nfs/dbraw/zinc/64/20/15/350642015.db2.gz NCYGGACAYMEIHQ-YWPYICTPSA-N 2 0 283.416 0.681 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158098221 350653250 /nfs/dbraw/zinc/65/32/50/350653250.db2.gz JHPDTOHOHHEOAR-UMSGYPCISA-N 2 0 253.390 0.973 10 0 CCAERP CC[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000168063968 350819485 /nfs/dbraw/zinc/81/94/85/350819485.db2.gz CLNRBFGBYWIQCT-OAHLLOKOSA-N 2 0 297.443 0.945 10 0 CCAERP CC(C)[NH2+]CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000193462780 351828361 /nfs/dbraw/zinc/82/83/61/351828361.db2.gz NTFPSQSAPVVCMD-CQSZACIVSA-N 2 0 282.432 0.223 10 0 CCAERP C[C@H]1C[N@@H+](C2CCN(C(=O)C3([NH3+])CCCC3)CC2)CCO1 ZINC000237600712 352273914 /nfs/dbraw/zinc/27/39/14/352273914.db2.gz PULBUXMYAABWGP-ZDUSSCGKSA-N 2 0 295.427 0.970 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000251819467 352511838 /nfs/dbraw/zinc/51/18/38/352511838.db2.gz OWVCZPJWSLVTMW-OLZOCXBDSA-N 2 0 281.400 0.450 10 0 CCAERP C1C[C@@H]([NH+]2CCN(C3CC[NH2+]CC3)CC2)CS1 ZINC000257709791 352554892 /nfs/dbraw/zinc/55/48/92/352554892.db2.gz NMIQDBNFCWCVAU-CYBMUJFWSA-N 2 0 255.431 0.862 10 0 CCAERP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333628619 354766070 /nfs/dbraw/zinc/76/60/70/354766070.db2.gz GEWWCZQQTKJWFW-OLZOCXBDSA-N 2 0 268.405 0.770 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333814217 354798677 /nfs/dbraw/zinc/79/86/77/354798677.db2.gz JWFLEZFUEIIAAB-LLVKDONJSA-N 2 0 252.362 0.300 10 0 CCAERP C[NH+]1CCC2(CCCN2C(=O)NC2C[NH2+]C2)CC1 ZINC000335376187 354995211 /nfs/dbraw/zinc/99/52/11/354995211.db2.gz CBRYZBOOKPTGAE-UHFFFAOYSA-N 2 0 252.362 0.228 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000261635267 283513565 /nfs/dbraw/zinc/51/35/65/283513565.db2.gz CCVVZAQRXRZKKH-UKRRQHHQSA-N 2 0 295.427 0.685 10 0 CCAERP O[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000628467024 369270461 /nfs/dbraw/zinc/27/04/61/369270461.db2.gz MRYHELKQBVKLCE-LSDHHAIUSA-N 2 0 277.368 0.790 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638116308 374683482 /nfs/dbraw/zinc/68/34/82/374683482.db2.gz MDJKMNMISNWLIS-IPYPFGDCSA-N 2 0 281.400 0.437 10 0 CCAERP COC[C@@]1(C(=O)N2CC[C@H]([NH+](C)C)C2)CCCC[NH2+]1 ZINC000638276196 374879282 /nfs/dbraw/zinc/87/92/82/374879282.db2.gz RJYQGSVYNBJASP-GXTWGEPZSA-N 2 0 269.389 0.308 10 0 CCAERP COC1(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]CC1 ZINC000193523670 284676356 /nfs/dbraw/zinc/67/63/56/284676356.db2.gz MTIOUAMJGOWELR-MNOVXSKESA-N 2 0 255.362 0.012 10 0 CCAERP C[NH+](C)C(C)(C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131254125 284801083 /nfs/dbraw/zinc/80/10/83/284801083.db2.gz ZWRCDNBQCPTEJM-UHFFFAOYSA-N 2 0 270.421 0.127 10 0 CCAERP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000334946782 285214572 /nfs/dbraw/zinc/21/45/72/285214572.db2.gz ZBLJCCPZHAGMBA-ZDUSSCGKSA-N 2 0 268.405 0.866 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000335286175 285266522 /nfs/dbraw/zinc/26/65/22/285266522.db2.gz WNSZCEPBQCZODR-DZGCQCFKSA-N 2 0 280.416 0.866 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105192168 389085478 /nfs/dbraw/zinc/08/54/78/389085478.db2.gz LCQACSBRXICTJN-ZIAGYGMSSA-N 2 0 280.416 0.960 10 0 CCAERP CC[C@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862773 389089253 /nfs/dbraw/zinc/08/92/53/389089253.db2.gz XBHBYXXOADRXCI-DGCLKSJQSA-N 2 0 271.405 0.275 10 0 CCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000334345766 389468833 /nfs/dbraw/zinc/46/88/33/389468833.db2.gz VGXYKYMETCCARR-QWHCGFSZSA-N 2 0 266.389 0.570 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163910378 389431205 /nfs/dbraw/zinc/43/12/05/389431205.db2.gz WRVXJWFXLJWLHX-YPMHNXCESA-N 2 0 255.406 0.934 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000334886651 389507869 /nfs/dbraw/zinc/50/78/69/389507869.db2.gz XJOXZFMJJFKWMJ-YPMHNXCESA-N 2 0 268.405 0.848 10 0 CCAERP CC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000174089504 389515725 /nfs/dbraw/zinc/51/57/25/389515725.db2.gz NYWRHRFYHIUMES-OAHLLOKOSA-N 2 0 269.433 0.861 10 0 CCAERP O=C([C@@H]1CCNCC1(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000335120207 389537867 /nfs/dbraw/zinc/53/78/67/389537867.db2.gz UBKMGIAVPQHVEQ-QWRGUYRKSA-N 2 0 273.327 0.538 10 0 CCAERP COCCC1(C(=O)N2CCC[N@H+](C)CC2)CC[NH2+]CC1 ZINC000643767982 390538093 /nfs/dbraw/zinc/53/80/93/390538093.db2.gz KSKNIRIYOJONGX-UHFFFAOYSA-N 2 0 283.416 0.557 10 0 CCAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649280794 390546833 /nfs/dbraw/zinc/54/68/33/390546833.db2.gz MDBBWWBEQZIHPN-KGLIPLIRSA-N 2 0 283.416 0.603 10 0 CCAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649294259 390556505 /nfs/dbraw/zinc/55/65/05/390556505.db2.gz HZRHCOCYENSSQP-CYBMUJFWSA-N 2 0 269.389 0.023 10 0 CCAERP C[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000646533918 390691201 /nfs/dbraw/zinc/69/12/01/390691201.db2.gz RKYMJLQHADSDTM-QWHCGFSZSA-N 2 0 253.390 0.929 10 0 CCAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C[NH3+])C1 ZINC000261715735 296528967 /nfs/dbraw/zinc/52/89/67/296528967.db2.gz GNHZBLLXWRNWCU-FDYHWXHSSA-N 2 0 253.390 0.947 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000388828615 397507977 /nfs/dbraw/zinc/50/79/77/397507977.db2.gz WXZUAJFAGYKWTB-KKUMJFAQSA-N 2 0 269.433 0.856 10 0 CCAERP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000163997966 298176265 /nfs/dbraw/zinc/17/62/65/298176265.db2.gz DSRIHCLZHIFHTH-CYZMBNFOSA-N 2 0 251.374 0.585 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000261716952 287155722 /nfs/dbraw/zinc/15/57/22/287155722.db2.gz JRVUFKOSLCRTED-KBUPBQIOSA-N 2 0 297.443 0.665 10 0 CCAERP C[NH+](C)[C@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000062965781 411687702 /nfs/dbraw/zinc/68/77/02/411687702.db2.gz OCFPLXWONCRHOQ-VIFPVBQESA-N 2 0 253.350 0.399 10 0 CCAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000020188479 171053485 /nfs/dbraw/zinc/05/34/85/171053485.db2.gz VMAOBHVJHVBBCT-UHFFFAOYSA-N 2 0 285.413 0.636 10 0 CCAERP C[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653113930 412225800 /nfs/dbraw/zinc/22/58/00/412225800.db2.gz RPUPRVAKOKYWSM-GHMZBOCLSA-N 2 0 293.333 0.842 10 0 CCAERP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000038029429 174020141 /nfs/dbraw/zinc/02/01/41/174020141.db2.gz VLROOQNMOIXVFM-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP O=C(NCC[NH+]1CCCC1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043125 174048256 /nfs/dbraw/zinc/04/82/56/174048256.db2.gz QTQYGJWDXUBBQD-HNNXBMFYSA-N 2 0 294.443 0.415 10 0 CCAERP COCCC[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192321 176074069 /nfs/dbraw/zinc/07/40/69/176074069.db2.gz CFYONRVERCLXIX-ZIAGYGMSSA-N 2 0 257.422 0.885 10 0 CCAERP C[C@H](C[NH3+])CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258589 545881377 /nfs/dbraw/zinc/88/13/77/545881377.db2.gz UHFLVOKUMAPZPS-VIFPVBQESA-N 2 0 251.334 0.341 10 0 CCAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092954348 544536539 /nfs/dbraw/zinc/53/65/39/544536539.db2.gz AGMANHAXDRNZEA-YNEHKIRRSA-N 2 0 251.374 0.681 10 0 CCAERP Cc1c(C[N@H+](C)CCN2CC[NH2+]CC2)cnn1C ZINC000093651364 544542949 /nfs/dbraw/zinc/54/29/49/544542949.db2.gz CXYMTVFTMPKFHV-UHFFFAOYSA-N 2 0 251.378 0.066 10 0 CCAERP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262148423 544942050 /nfs/dbraw/zinc/94/20/50/544942050.db2.gz HOOWPNDDLDTOKU-WDEREUQCSA-N 2 0 283.397 0.120 10 0 CCAERP Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000333618688 545040754 /nfs/dbraw/zinc/04/07/54/545040754.db2.gz TVAAASLIEQZXQF-MCIONIFRSA-N 2 0 264.373 0.982 10 0 CCAERP C[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000333746630 545042473 /nfs/dbraw/zinc/04/24/73/545042473.db2.gz YLFAHEBDGSVZGW-AGIUHOORSA-N 2 0 268.405 0.897 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188764725 276181361 /nfs/dbraw/zinc/18/13/61/276181361.db2.gz HRTMXZMBJSXAFI-NSHDSACASA-N 2 0 291.399 0.612 10 0 CCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000189285837 277301349 /nfs/dbraw/zinc/30/13/49/277301349.db2.gz GEQOSDHXRMKWCD-RVMXOQNASA-N 2 0 269.389 0.208 10 0 CCAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121197190 288103571 /nfs/dbraw/zinc/10/35/71/288103571.db2.gz RFMPJRIJQQXLOB-UTUOFQBUSA-N 2 0 277.434 0.244 10 0 CCAERP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545076 279324239 /nfs/dbraw/zinc/32/42/39/279324239.db2.gz PFRQLSNSSGFSNY-YNEHKIRRSA-N 2 0 253.390 0.912 10 0 CCAERP Cc1cc(NC[C@H]2C[NH2+]C[C@H]2O)c2ccccc2[nH+]1 ZINC000420244505 280299912 /nfs/dbraw/zinc/29/99/12/280299912.db2.gz DMYYELXLBQZFJN-IAQYHMDHSA-N 2 0 257.337 0.957 10 0 CCAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335377987 281189490 /nfs/dbraw/zinc/18/94/90/281189490.db2.gz MPINNVGLHYGCDA-NWDGAFQWSA-N 2 0 252.362 0.226 10 0 CCAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000334938290 289319435 /nfs/dbraw/zinc/31/94/35/289319435.db2.gz RJFROVBMVGYKCB-VXGBXAGGSA-N 2 0 268.405 0.863 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)O1 ZINC000094569045 303428344 /nfs/dbraw/zinc/42/83/44/303428344.db2.gz PSLCXYXTYHEWTM-MJBXVCDLSA-N 2 0 281.400 0.580 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333647502 303464747 /nfs/dbraw/zinc/46/47/47/303464747.db2.gz JGWPTVOUKWRCRC-LOWDOPEQSA-N 2 0 266.389 0.507 10 0 CCAERP C[NH2+][C@@](C)(CCN1CC[NH+](CC(C)C)CC1)C(N)=O ZINC000055081457 522410762 /nfs/dbraw/zinc/41/07/62/522410762.db2.gz CEGJSPGEGMEMLH-AWEZNQCLSA-N 2 0 270.421 0.114 10 0 CCAERP CC[NH+]1CCC(C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000061643030 521550284 /nfs/dbraw/zinc/55/02/84/521550284.db2.gz LPKMUPLDZXGMBI-CQSZACIVSA-N 3 0 268.449 0.826 10 0 CCAERP C[NH+](C)CCN1CC[NH+](CCCCC(N)=[NH2+])CC1 ZINC000061644743 521764600 /nfs/dbraw/zinc/76/46/00/521764600.db2.gz OJKRNGBBMBGDRS-UHFFFAOYSA-N 3 0 255.410 0.272 10 0 CCAERP CC[C@H](C)[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643118 521825516 /nfs/dbraw/zinc/82/55/16/521825516.db2.gz GHVAXYOMYSZWGN-UONOGXRCSA-N 2 0 256.438 0.539 10 0 CCAERP CN(CC[NH+]1CCCC1)[C@@H](C[NH3+])C1CCOCC1 ZINC000063051184 522830134 /nfs/dbraw/zinc/83/01/34/522830134.db2.gz YAZQKEQMZSFQJB-AWEZNQCLSA-N 2 0 255.406 0.768 10 0 CCAERP COc1ccccc1CC[NH+]1CCN(CC[NH3+])CC1 ZINC000049854824 524410924 /nfs/dbraw/zinc/41/09/24/524410924.db2.gz FRPXNLJFOIANAU-UHFFFAOYSA-N 2 0 263.385 0.814 10 0 CCAERP C[C@H](C[NH2+]C1CC1)N1CCN(CC[NH+](C)C)CC1 ZINC000061654885 524479788 /nfs/dbraw/zinc/47/97/88/524479788.db2.gz SGBNOELLOSBBMK-CYBMUJFWSA-N 2 0 254.422 0.306 10 0 CCAERP C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)CCC[NH3+] ZINC000049502442 524607049 /nfs/dbraw/zinc/60/70/49/524607049.db2.gz GXCYFJQZFYNZSW-NSHDSACASA-N 2 0 263.407 0.129 10 0 CCAERP CCCCOC[C@H](O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312959847 625697305 /nfs/dbraw/zinc/69/73/05/625697305.db2.gz MWHYNWQDXPKILI-LSDHHAIUSA-N 2 0 285.432 0.144 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000049645720 624491495 /nfs/dbraw/zinc/49/14/95/624491495.db2.gz BHPRYTMDUIQSFK-VXGBXAGGSA-N 2 0 275.418 0.142 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091541495 349466691 /nfs/dbraw/zinc/46/66/91/349466691.db2.gz YGKUKUVPARTEEE-UPJWGTAASA-N 2 0 253.390 0.960 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C1CC1 ZINC000094460137 349568354 /nfs/dbraw/zinc/56/83/54/349568354.db2.gz NQGYAFQTNWXFER-WCQYABFASA-N 2 0 251.374 0.824 10 0 CCAERP Cc1nc(CN2CCCN(C(=O)C3C[NH2+]C3)CC2)cs1 ZINC000262291903 137035937 /nfs/dbraw/zinc/03/59/37/137035937.db2.gz XVSHXFHVUHQVIG-UHFFFAOYSA-N 2 0 294.424 0.705 10 0 CCAERP CC[NH+]1CCC(CNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000044764392 348326581 /nfs/dbraw/zinc/32/65/81/348326581.db2.gz WAYLAAXAWKPRKO-UHFFFAOYSA-N 2 0 283.416 0.590 10 0 CCAERP CCC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000120616654 349996440 /nfs/dbraw/zinc/99/64/40/349996440.db2.gz YNQXQTMRDQFBSQ-AAEUAGOBSA-N 2 0 259.394 0.146 10 0 CCAERP CC[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000168064065 350819583 /nfs/dbraw/zinc/81/95/83/350819583.db2.gz CLNRBFGBYWIQCT-HNNXBMFYSA-N 2 0 297.443 0.945 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171903782 350942646 /nfs/dbraw/zinc/94/26/46/350942646.db2.gz QXEUUDXHMFHPQE-ZIAGYGMSSA-N 2 0 280.416 0.960 10 0 CCAERP O=S(=O)(CC[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190871725 351737943 /nfs/dbraw/zinc/73/79/43/351737943.db2.gz XWPGRUBXXZXICJ-CYBMUJFWSA-N 2 0 287.429 0.192 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(C)(C)[NH3+])CC2)CCO1 ZINC000237500058 352268921 /nfs/dbraw/zinc/26/89/21/352268921.db2.gz VUTOWAWVUHWPIZ-LLVKDONJSA-N 2 0 269.389 0.435 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000250533875 352506326 /nfs/dbraw/zinc/50/63/26/352506326.db2.gz YGKUKUVPARTEEE-FRRDWIJNSA-N 2 0 253.390 0.960 10 0 CCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333497340 295850791 /nfs/dbraw/zinc/85/07/91/295850791.db2.gz FAOXLEKJSGVHIV-DZGCQCFKSA-N 2 0 280.416 0.914 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000335396169 354995642 /nfs/dbraw/zinc/99/56/42/354995642.db2.gz SGDMDPWXFOVDLQ-UHFFFAOYSA-N 2 0 266.389 0.618 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000335396606 354996160 /nfs/dbraw/zinc/99/61/60/354996160.db2.gz XXNYFQSSVRAPRC-ZDUSSCGKSA-N 2 0 266.389 0.618 10 0 CCAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)C1 ZINC000038043279 283114138 /nfs/dbraw/zinc/11/41/38/283114138.db2.gz QNLPZKKMNSTFCB-HIFRSBDPSA-N 2 0 294.443 0.271 10 0 CCAERP C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C[NH+]1CCCCC1 ZINC000333591489 295948486 /nfs/dbraw/zinc/94/84/86/295948486.db2.gz BBINRVCPZDNDGT-IHRRRGAJSA-N 2 0 298.431 0.083 10 0 CCAERP O=C1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCN1 ZINC000396725159 357764134 /nfs/dbraw/zinc/76/41/34/357764134.db2.gz XYQPISMCNFSCNH-CHWSQXEVSA-N 2 0 269.389 0.092 10 0 CCAERP [NH3+]CCNC(=O)[C@H]([NH3+])Cc1ccc2ccccc2c1 ZINC000584626829 359183364 /nfs/dbraw/zinc/18/33/64/359183364.db2.gz XUAKYHWPPOXLEA-CQSZACIVSA-N 2 0 257.337 0.785 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cnnc2ccccc21 ZINC000616604094 365382615 /nfs/dbraw/zinc/38/26/15/365382615.db2.gz KMQNWXBLYLUBKQ-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000333358162 205250671 /nfs/dbraw/zinc/25/06/71/205250671.db2.gz KRTIULIMRXNWEZ-NEPJUHHUSA-N 2 0 268.405 0.910 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638072720 374623880 /nfs/dbraw/zinc/62/38/80/374623880.db2.gz VCRRRUCOPATOFG-HIFRSBDPSA-N 2 0 285.432 0.834 10 0 CCAERP CNC(=O)NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335448093 208479876 /nfs/dbraw/zinc/47/98/76/208479876.db2.gz MFHHTPYGQZPWGZ-LLVKDONJSA-N 2 0 254.378 0.379 10 0 CCAERP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000111857395 389116502 /nfs/dbraw/zinc/11/65/02/389116502.db2.gz NYMSRXJNVRXHDZ-AWEZNQCLSA-N 2 0 298.431 0.489 10 0 CCAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[NH2+]C1 ZINC000263322753 389299342 /nfs/dbraw/zinc/29/93/42/389299342.db2.gz RSXGEDHXYARLCM-TUAOUCFPSA-N 2 0 253.390 0.688 10 0 CCAERP Cn1cncc1[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000333003826 389401464 /nfs/dbraw/zinc/40/14/64/389401464.db2.gz LDLZKOBZVNWOPB-OUCADQQQSA-N 2 0 292.383 0.851 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H]1[NH3+] ZINC000333121598 389404789 /nfs/dbraw/zinc/40/47/89/389404789.db2.gz AOOJWHFFRURGNG-XZUYRWCXSA-N 2 0 266.389 0.600 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCCO)CC1 ZINC000171631129 389478441 /nfs/dbraw/zinc/47/84/41/389478441.db2.gz WQNYVAQTHCJWSY-ZDUSSCGKSA-N 2 0 258.406 0.784 10 0 CCAERP CC[C@H]1CN(C(=O)C[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000173362367 389501599 /nfs/dbraw/zinc/50/15/99/389501599.db2.gz OUGHLLJJBZRSCU-KGLIPLIRSA-N 2 0 285.432 0.632 10 0 CCAERP NC(=O)c1c[nH+]ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000399205790 389789112 /nfs/dbraw/zinc/78/91/12/389789112.db2.gz VTYPMBOUZOFMIU-WCQGTBRESA-N 2 0 260.341 0.744 10 0 CCAERP COC[C@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000647727128 390147748 /nfs/dbraw/zinc/14/77/48/390147748.db2.gz LSOLNMWFKBFQFE-XIVSLSHWSA-N 2 0 255.362 0.141 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649328338 390585869 /nfs/dbraw/zinc/58/58/69/390585869.db2.gz PLWBZLPMYATRAQ-STQMWFEESA-N 2 0 269.389 0.165 10 0 CCAERP COC[C@]1(C(=O)N2CC[NH+]3CCC2CC3)CCC[NH2+]1 ZINC000643779284 390543726 /nfs/dbraw/zinc/54/37/26/390543726.db2.gz XYWDZFWLJJPGJA-AWEZNQCLSA-N 2 0 267.373 0.062 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649277321 390545515 /nfs/dbraw/zinc/54/55/15/390545515.db2.gz UUJUQYWDBGHOEK-TZMCWYRMSA-N 2 0 269.389 0.356 10 0 CCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649285931 390550057 /nfs/dbraw/zinc/55/00/57/390550057.db2.gz AZYWBGZHAGZIKL-QWHCGFSZSA-N 2 0 269.389 0.165 10 0 CCAERP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000649297737 390557675 /nfs/dbraw/zinc/55/76/75/390557675.db2.gz UKFHBEFTVISGQN-YDHLFZDLSA-N 2 0 281.400 0.498 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649335294 390591184 /nfs/dbraw/zinc/59/11/84/390591184.db2.gz QIKBVGDJHMDERL-UTUOFQBUSA-N 2 0 251.374 0.680 10 0 CCAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304855 390564431 /nfs/dbraw/zinc/56/44/31/390564431.db2.gz KEKWCPMEPNOAKY-QWHCGFSZSA-N 2 0 269.389 0.069 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305917 390564806 /nfs/dbraw/zinc/56/48/06/390564806.db2.gz LYAVWGXBSATFCT-GHMZBOCLSA-N 2 0 275.343 0.832 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305918 390565382 /nfs/dbraw/zinc/56/53/82/390565382.db2.gz LYAVWGXBSATFCT-MNOVXSKESA-N 2 0 275.343 0.832 10 0 CCAERP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000649311327 390569743 /nfs/dbraw/zinc/56/97/43/390569743.db2.gz IAPALSALRDJELC-VXGBXAGGSA-N 2 0 287.354 0.928 10 0 CCAERP OCCC[NH+]1CCC(C2CC[NH+](CCO)CC2)CC1 ZINC000196824225 397427461 /nfs/dbraw/zinc/42/74/61/397427461.db2.gz VKWAWBPJNHGVML-UHFFFAOYSA-N 2 0 270.417 0.785 10 0 CCAERP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333667189 286093567 /nfs/dbraw/zinc/09/35/67/286093567.db2.gz MMEKYXGEXARSPE-RDBSUJKOSA-N 2 0 296.415 0.243 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091542570 289568007 /nfs/dbraw/zinc/56/80/07/289568007.db2.gz VYZWPMVRMZCCOW-OLZOCXBDSA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000246947002 287086612 /nfs/dbraw/zinc/08/66/12/287086612.db2.gz JDNHYBDYOJKKDM-OCCSQVGLSA-N 2 0 283.416 0.242 10 0 CCAERP CC[NH+](CC)CCNC(=O)COc1ccccc1C[NH3+] ZINC000022175390 171370411 /nfs/dbraw/zinc/37/04/11/171370411.db2.gz NDVCDEBPBXALPK-UHFFFAOYSA-N 2 0 279.384 0.982 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022176751 171371129 /nfs/dbraw/zinc/37/11/29/171371129.db2.gz BGKZLEPBHKHDHN-ZDUSSCGKSA-N 2 0 297.424 0.908 10 0 CCAERP CCC[NH+]1CCN([C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000023066422 171407239 /nfs/dbraw/zinc/40/72/39/171407239.db2.gz TTYPVZVSFYGZFQ-KBPBESRZSA-N 2 0 283.416 0.637 10 0 CCAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653110630 412224811 /nfs/dbraw/zinc/22/48/11/412224811.db2.gz PEQLLEBZZSSTEV-IVZWLZJFSA-N 2 0 279.306 0.452 10 0 CCAERP C[C@H](C(=O)N1CCCC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750407 174395793 /nfs/dbraw/zinc/39/57/93/174395793.db2.gz PWXKQEOQJRZREA-ODWCKFRGSA-N 2 0 251.374 0.951 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662738729 414750595 /nfs/dbraw/zinc/75/05/95/414750595.db2.gz YIXFSTLARDNONW-ZDEQEGDKSA-N 2 0 251.374 0.809 10 0 CCAERP COCCC1(C(=O)NCC[C@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000662858018 414849935 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ZINC000333746634 287535057 /nfs/dbraw/zinc/53/50/57/287535057.db2.gz YLFAHEBDGSVZGW-JHJVBQTASA-N 2 0 268.405 0.897 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089460925 544514300 /nfs/dbraw/zinc/51/43/00/544514300.db2.gz UOYRYBCWYNIUPI-JHJVBQTASA-N 2 0 253.390 0.819 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089460980 544515079 /nfs/dbraw/zinc/51/50/79/544515079.db2.gz ZVTFSISSSKIHTN-LOWVWBTDSA-N 2 0 251.374 0.714 10 0 CCAERP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000250217102 544922375 /nfs/dbraw/zinc/92/23/75/544922375.db2.gz DIAPHCQUUXCYNE-MELADBBJSA-N 2 0 255.406 0.779 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000252920170 544931032 /nfs/dbraw/zinc/93/10/32/544931032.db2.gz FKEYTZJJXPOGBN-NEPJUHHUSA-N 2 0 267.373 0.060 10 0 CCAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262099699 544939657 /nfs/dbraw/zinc/93/96/57/544939657.db2.gz IORYSMGYEIZNRL-JTNHKYCSSA-N 2 0 295.358 0.713 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000333777740 545043072 /nfs/dbraw/zinc/04/30/72/545043072.db2.gz DFAMYEZFXIRXFY-RDBSUJKOSA-N 2 0 298.431 0.225 10 0 CCAERP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC000263243202 274127332 /nfs/dbraw/zinc/12/73/32/274127332.db2.gz OYNAOCZRLKMUNV-SQWLQELKSA-N 2 0 276.380 0.722 10 0 CCAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369150 277402012 /nfs/dbraw/zinc/40/20/12/277402012.db2.gz NNAWNJQKEMGOFF-CHWSQXEVSA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000192499817 277941591 /nfs/dbraw/zinc/94/15/91/277941591.db2.gz MHMQCJGRVJIGFG-RDBSUJKOSA-N 2 0 256.390 0.848 10 0 CCAERP CC1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)CC1 ZINC000262484392 278522221 /nfs/dbraw/zinc/52/22/21/278522221.db2.gz YMMIUNXZZAIFJS-WUCCLRPBSA-N 2 0 295.427 0.432 10 0 CCAERP CCN(C)C(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000178199365 279014380 /nfs/dbraw/zinc/01/43/80/279014380.db2.gz MJOJTXJQTLDWEJ-AWEZNQCLSA-N 2 0 299.459 0.879 10 0 CCAERP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000343710974 288098118 /nfs/dbraw/zinc/09/81/18/288098118.db2.gz KKFTYOZCCJCTTG-HZSPNIEDSA-N 2 0 255.406 0.373 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000333800359 290098695 /nfs/dbraw/zinc/09/86/95/290098695.db2.gz HQCJNOXBEZSLSX-MELADBBJSA-N 2 0 298.431 0.225 10 0 CCAERP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263226212 295140596 /nfs/dbraw/zinc/14/05/96/295140596.db2.gz MUNULNXVCMJPIO-YUTCNCBUSA-N 2 0 294.395 0.805 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1([NH3+])CCCC1 ZINC000094459938 297092458 /nfs/dbraw/zinc/09/24/58/297092458.db2.gz PCFYPMWVUGBZBJ-VXGBXAGGSA-N 2 0 251.374 0.953 10 0 CCAERP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CC[NH+](C)CC1 ZINC000392882547 545087572 /nfs/dbraw/zinc/08/75/72/545087572.db2.gz JFWOJCSGBDIGNB-DMDPSCGWSA-N 2 0 253.390 0.973 10 0 CCAERP CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000394041187 329095745 /nfs/dbraw/zinc/09/57/45/329095745.db2.gz FCJIGLUKOCYLKV-RDBSUJKOSA-N 2 0 255.406 0.468 10 0 CCAERP CC(C)(C)OC(=O)N1CCC[C@](C[NH3+])(C[C@@H](O)C[NH3+])C1 ZINC000536955279 330383089 /nfs/dbraw/zinc/38/30/89/330383089.db2.gz OPNKQJTYMKASIE-BXUZGUMPSA-N 2 0 287.404 0.672 10 0 CCAERP CC(C)C[NH+]1CCN(Cc2cc(C[NH3+])no2)CC1 ZINC000055082873 519727152 /nfs/dbraw/zinc/72/71/52/519727152.db2.gz ZMTHGQLRLVMQGX-UHFFFAOYSA-N 2 0 252.362 0.907 10 0 CCAERP CC[NH+]1CCC(C[NH3+])(N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000061643031 521549185 /nfs/dbraw/zinc/54/91/85/521549185.db2.gz LPKMUPLDZXGMBI-AWEZNQCLSA-N 3 0 268.449 0.826 10 0 CCAERP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000052809034 521819563 /nfs/dbraw/zinc/81/95/63/521819563.db2.gz YXWPKWVJWUIMBZ-CYBMUJFWSA-N 2 0 271.405 0.541 10 0 CCAERP O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]12)C[NH+]1CCCC1 ZINC000049567637 526279300 /nfs/dbraw/zinc/27/93/00/526279300.db2.gz UJRHMOSBUTYGJH-MGPQQGTHSA-N 2 0 253.390 0.269 10 0 CCAERP O[C@H](C[NH2+]C1CC1)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675080849 545321229 /nfs/dbraw/zinc/32/12/29/545321229.db2.gz WTPNHWAUQMWICP-FMKGYKFTSA-N 2 0 254.374 0.647 10 0 CCAERP CCC[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675080015 545321389 /nfs/dbraw/zinc/32/13/89/545321389.db2.gz KUHGHDBMVAWLSP-IGQOVBAYSA-N 2 0 256.390 0.894 10 0 CCAERP C[C@@]1(C[N@@H+]2CC[C@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000104168511 625755507 /nfs/dbraw/zinc/75/55/07/625755507.db2.gz MWEUOTKTPUWXCS-LSDHHAIUSA-N 2 0 267.417 0.783 10 0 CCAERP C[NH+](C)CCOCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000219309170 282108624 /nfs/dbraw/zinc/10/86/24/282108624.db2.gz IXFFUMZHVFGCDN-XQQFMLRXSA-N 2 0 256.390 0.968 10 0 CCAERP C[NH+](C)C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1 ZINC000194650689 282122702 /nfs/dbraw/zinc/12/27/02/282122702.db2.gz NQDHLECENBVPMR-OAHLLOKOSA-N 2 0 295.427 0.650 10 0 CCAERP C[NH+](C)C[C@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000132296547 282140415 /nfs/dbraw/zinc/14/04/15/282140415.db2.gz YKWFBYKPQFADHK-AWEZNQCLSA-N 2 0 255.406 0.735 10 0 CCAERP C[NH2+]C[C@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000092135108 290703693 /nfs/dbraw/zinc/70/36/93/290703693.db2.gz KQSCUJHBLWNUMB-LBPRGKRZSA-N 2 0 253.390 0.929 10 0 CCAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCC3CC[NH2+]CC3)C[C@@H]12 ZINC000184989669 136905379 /nfs/dbraw/zinc/90/53/79/136905379.db2.gz HEVMVFGKZRMLHX-BFHYXJOUSA-N 2 0 265.401 0.962 10 0 CCAERP O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[NH2+]CC1 ZINC000034488163 348150613 /nfs/dbraw/zinc/15/06/13/348150613.db2.gz KTXCOBVGGZETQY-UHFFFAOYSA-N 2 0 274.368 0.730 10 0 CCAERP CN1CC[NH+]([C@@H](CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000062268812 348666775 /nfs/dbraw/zinc/66/67/75/348666775.db2.gz RAAFFHQOZBQNGD-KRWDZBQOSA-N 2 0 288.439 0.880 10 0 CCAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000085369099 349332323 /nfs/dbraw/zinc/33/23/23/349332323.db2.gz CKCPBKSGOIVSPE-CABCVRRESA-N 2 0 295.427 0.685 10 0 CCAERP COCCNC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104444686 186004924 /nfs/dbraw/zinc/00/49/24/186004924.db2.gz HPSQWBFZXSJUJQ-WDEREUQCSA-N 2 0 257.378 0.197 10 0 CCAERP COCCNC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104444689 186005456 /nfs/dbraw/zinc/00/54/56/186005456.db2.gz HPSQWBFZXSJUJQ-GHMZBOCLSA-N 2 0 257.378 0.197 10 0 CCAERP C[C@H]1C[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000132964354 350321372 /nfs/dbraw/zinc/32/13/72/350321372.db2.gz HQDCUBYOODGAMA-QWHCGFSZSA-N 2 0 282.432 0.269 10 0 CCAERP COCC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174903270 351110259 /nfs/dbraw/zinc/11/02/59/351110259.db2.gz QIIUBEZUSOSMNP-AWEZNQCLSA-N 2 0 255.406 0.735 10 0 CCAERP Cn1cc([C@H]2CCCN2CC(=O)N2CCN(C)CC2)cn1 ZINC000180472013 351285384 /nfs/dbraw/zinc/28/53/84/351285384.db2.gz NVRWXMDSGVOJQG-CQSZACIVSA-N 2 0 291.399 0.331 10 0 CCAERP [NH3+][C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000188185158 351579047 /nfs/dbraw/zinc/57/90/47/351579047.db2.gz IDIKJBOVXGFCEQ-SDDRHHMPSA-N 2 0 251.305 0.503 10 0 CCAERP CC(C)[NH+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000188689922 351618117 /nfs/dbraw/zinc/61/81/17/351618117.db2.gz PAKOOEMSBDMUAM-NWDGAFQWSA-N 2 0 259.369 0.921 10 0 CCAERP CC(C)([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000236776655 352213063 /nfs/dbraw/zinc/21/30/63/352213063.db2.gz UMLXPCPEBXNJSP-LBPRGKRZSA-N 2 0 269.389 0.295 10 0 CCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2COCCN2)C1 ZINC000237552247 352270905 /nfs/dbraw/zinc/27/09/05/352270905.db2.gz CJMHOFOLIOAYJV-MCIONIFRSA-N 2 0 283.416 0.459 10 0 CCAERP CC[C@@H]1CN(Cc2c[nH]cn2)CC[N@@H+]1C[C@H](C)O ZINC000245756961 352337488 /nfs/dbraw/zinc/33/74/88/352337488.db2.gz OVVIWZQYZGFSGX-WCQYABFASA-N 2 0 252.362 0.687 10 0 CCAERP COCC[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247230119 352404978 /nfs/dbraw/zinc/40/49/78/352404978.db2.gz MQBCFLWYADXMIU-KBPBESRZSA-N 2 0 298.431 0.443 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000251633807 352510894 /nfs/dbraw/zinc/51/08/94/352510894.db2.gz FNUQPIUVJCKFIF-DYEKYZERSA-N 2 0 251.374 0.824 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCN1CC[NH2+]CC1 ZINC000251866448 352512507 /nfs/dbraw/zinc/51/25/07/352512507.db2.gz SYLQQODWZXHUHW-KBPBESRZSA-N 2 0 252.406 0.060 10 0 CCAERP NC(=[NH2+])NCCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000584604905 359178979 /nfs/dbraw/zinc/17/89/79/359178979.db2.gz CRVDDHWEZFBORX-UHFFFAOYSA-N 2 0 276.388 0.467 10 0 CCAERP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630369399 370070170 /nfs/dbraw/zinc/07/01/70/370070170.db2.gz AWFVTNLDTQCHOW-GXTWGEPZSA-N 2 0 269.389 0.293 10 0 CCAERP C[N@@H+]1CC[C@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765424 372212866 /nfs/dbraw/zinc/21/28/66/372212866.db2.gz SDCANADAWHDWRX-DYEKYZERSA-N 2 0 251.374 0.444 10 0 CCAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC2CC(O)C2)CC1 ZINC000333145358 205067400 /nfs/dbraw/zinc/06/74/00/205067400.db2.gz ZOIQREFUPZSIIV-UHFFFAOYSA-N 2 0 283.416 0.290 10 0 CCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333448658 205328183 /nfs/dbraw/zinc/32/81/83/205328183.db2.gz XEPZLRFOMHCFCD-CHWSQXEVSA-N 2 0 284.404 0.148 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C)CC2)C1 ZINC000334368724 285265875 /nfs/dbraw/zinc/26/58/75/285265875.db2.gz MHESNRUQZAZUPM-ZDUSSCGKSA-N 2 0 268.405 0.818 10 0 CCAERP C[N@H+](CCNC(=O)C1C[NH2+]C1)Cc1ccc(F)cc1 ZINC000263272906 389298574 /nfs/dbraw/zinc/29/85/74/389298574.db2.gz IJLJXMFHDIZSCN-UHFFFAOYSA-N 2 0 265.332 0.593 10 0 CCAERP C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333502987 389415205 /nfs/dbraw/zinc/41/52/05/389415205.db2.gz FOJFWKCKNSPXBT-RYUDHWBXSA-N 2 0 254.378 0.522 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000334345763 389468604 /nfs/dbraw/zinc/46/86/04/389468604.db2.gz VGXYKYMETCCARR-CHWSQXEVSA-N 2 0 266.389 0.570 10 0 CCAERP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000334939652 389511483 /nfs/dbraw/zinc/51/14/83/389511483.db2.gz UKHVPLCJMHMWGJ-RYUDHWBXSA-N 2 0 252.362 0.228 10 0 CCAERP C[C@@H](CN1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180624138 389672858 /nfs/dbraw/zinc/67/28/58/389672858.db2.gz HOIYBVQYTXVPEV-UONOGXRCSA-N 2 0 253.390 0.487 10 0 CCAERP COC[C@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000649284680 390549071 /nfs/dbraw/zinc/54/90/71/390549071.db2.gz PBYMVIJCTWUZMP-HNNXBMFYSA-N 2 0 281.400 0.498 10 0 CCAERP COC[C@@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000649284681 390549792 /nfs/dbraw/zinc/54/97/92/390549792.db2.gz PBYMVIJCTWUZMP-OAHLLOKOSA-N 2 0 281.400 0.498 10 0 CCAERP O=C([C@@H]1C[NH2+]CCOC1)N1CC[NH+](C2CCCC2)CC1 ZINC000649286035 390550223 /nfs/dbraw/zinc/55/02/23/390550223.db2.gz MTBRBVURUBMHCJ-CYBMUJFWSA-N 2 0 281.400 0.309 10 0 CCAERP COC[C@]1(C(=O)N2CCC(C[NH+](C)C)CC2)CCC[NH2+]1 ZINC000649294458 390555971 /nfs/dbraw/zinc/55/59/71/390555971.db2.gz WNMMKFYHOARWRU-HNNXBMFYSA-N 2 0 283.416 0.555 10 0 CCAERP COC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649298098 390557559 /nfs/dbraw/zinc/55/75/59/390557559.db2.gz QNSLYKSRAGPNCR-DOMZBBRYSA-N 2 0 281.400 0.356 10 0 CCAERP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000649311324 390568956 /nfs/dbraw/zinc/56/89/56/390568956.db2.gz IAPALSALRDJELC-NEPJUHHUSA-N 2 0 287.354 0.928 10 0 CCAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649343951 390597617 /nfs/dbraw/zinc/59/76/17/390597617.db2.gz HWHLLEVWVMKKEX-GFCCVEGCSA-N 2 0 257.378 0.071 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646140802 390616355 /nfs/dbraw/zinc/61/63/55/390616355.db2.gz XPEGNXVYQXUIOA-NEPJUHHUSA-N 2 0 253.390 0.927 10 0 CCAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000647039668 390763408 /nfs/dbraw/zinc/76/34/08/390763408.db2.gz VUIBLXSZAZEVHT-KBPBESRZSA-N 2 0 277.368 0.058 10 0 CCAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+](C)C ZINC000152217489 286733470 /nfs/dbraw/zinc/73/34/70/286733470.db2.gz BVHUEFRGCPOWSF-NEPJUHHUSA-N 2 0 257.378 0.116 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+]2CCC[C@H]2C1 ZINC000310945213 411748568 /nfs/dbraw/zinc/74/85/68/411748568.db2.gz XQKGUKPBLVRMBC-KBPBESRZSA-N 2 0 255.406 0.468 10 0 CCAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](CCO)CC2)c1 ZINC000020225482 171088777 /nfs/dbraw/zinc/08/87/77/171088777.db2.gz PATWPUCVROFCIE-OAHLLOKOSA-N 2 0 263.385 0.605 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112929 412224076 /nfs/dbraw/zinc/22/40/76/412224076.db2.gz NCISYAFIWBPLQV-GMTAPVOTSA-N 2 0 293.333 0.985 10 0 CCAERP NNc1[nH+]cnc(NCC[NH+]2CCCCC2)c1N ZINC000040756339 174396129 /nfs/dbraw/zinc/39/61/29/174396129.db2.gz WWUHBTDWQVHBIX-UHFFFAOYSA-N 2 0 251.338 0.242 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662852421 414841318 /nfs/dbraw/zinc/84/13/18/414841318.db2.gz KENNLPPWQYOYOW-RYUDHWBXSA-N 2 0 269.389 0.211 10 0 CCAERP C[C@@H]([NH3+])CCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258020 545879930 /nfs/dbraw/zinc/87/99/30/545879930.db2.gz DCKKORFGVMRKDN-SECBINFHSA-N 2 0 251.334 0.483 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111247283 544561738 /nfs/dbraw/zinc/56/17/38/544561738.db2.gz SXFDPAGJRDFCPG-MWLCHTKSSA-N 2 0 279.306 0.691 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136408800 544638384 /nfs/dbraw/zinc/63/83/84/544638384.db2.gz DRKAYOULVRBIPA-CYBMUJFWSA-N 2 0 271.405 0.541 10 0 CCAERP CCN1CCO[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000226872547 544832220 /nfs/dbraw/zinc/83/22/20/544832220.db2.gz DIAPHCQUUXCYNE-BFHYXJOUSA-N 2 0 255.406 0.779 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000333399243 545039459 /nfs/dbraw/zinc/03/94/59/545039459.db2.gz PSKCIDBPVRXEMO-WOPDTQHZSA-N 2 0 266.389 0.520 10 0 CCAERP CC(C)C[NH+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000164274191 278892817 /nfs/dbraw/zinc/89/28/17/278892817.db2.gz BEWKTMCWKFPMTK-GFCCVEGCSA-N 2 0 253.390 0.642 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000335285388 279293677 /nfs/dbraw/zinc/29/36/77/279293677.db2.gz NCKCDURBSQGYGG-GFCCVEGCSA-N 2 0 268.405 0.864 10 0 CCAERP CC[C@@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631247 280087342 /nfs/dbraw/zinc/08/73/42/280087342.db2.gz MSHZPXYIVKWPPC-OCCSQVGLSA-N 2 0 286.416 0.963 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336811822 288306117 /nfs/dbraw/zinc/30/61/17/288306117.db2.gz OPUWDWQQSVHQNH-YUELXQCFSA-N 2 0 267.417 0.610 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333482905 288850252 /nfs/dbraw/zinc/85/02/52/288850252.db2.gz CHHZNYYTPPPIKJ-RNJOBUHISA-N 2 0 266.389 0.663 10 0 CCAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2C[NH2+]C2)C1 ZINC000335379876 290238437 /nfs/dbraw/zinc/23/84/37/290238437.db2.gz UPWHFPCVERSTJH-JQWIXIFHSA-N 2 0 252.362 0.084 10 0 CCAERP C[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCCC[NH2+]1 ZINC000394377366 545088057 /nfs/dbraw/zinc/08/80/57/545088057.db2.gz CPFQCGXDMICVHF-ZFWWWQNUSA-N 2 0 280.416 0.025 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000335403614 303747572 /nfs/dbraw/zinc/74/75/72/303747572.db2.gz KYOWJUIFYWWWRM-ZDUSSCGKSA-N 2 0 266.389 0.618 10 0 CCAERP [NH3+]CC1(C(=O)N2CC[NH+]3CCC2CC3)CCOCC1 ZINC000577953727 335437107 /nfs/dbraw/zinc/43/71/07/335437107.db2.gz HWVAMTJVPBPPLO-UHFFFAOYSA-N 2 0 267.373 0.049 10 0 CCAERP CC(C)C[NH+]1CCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000055081805 519726478 /nfs/dbraw/zinc/72/64/78/519726478.db2.gz JFLUCDFPSLSRDO-CQSZACIVSA-N 2 0 255.406 0.625 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000052809035 521939539 /nfs/dbraw/zinc/93/95/39/521939539.db2.gz YXWPKWVJWUIMBZ-ZDUSSCGKSA-N 2 0 271.405 0.541 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@H]1[C@H]([NH3+])CCC[C@@H]1C ZINC000061401445 523597683 /nfs/dbraw/zinc/59/76/83/523597683.db2.gz HAUHXUPPVQWKJJ-YNEHKIRRSA-N 2 0 271.405 0.444 10 0 CCAERP C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000062080911 524263347 /nfs/dbraw/zinc/26/33/47/524263347.db2.gz GVEDKERCWJOLBI-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@@H](C[NH3+])C[N@@H+]1CCCN(c2nccn2C)CC1 ZINC000050605364 524582381 /nfs/dbraw/zinc/58/23/81/524582381.db2.gz JUTQTHRDNKEVRN-LBPRGKRZSA-N 2 0 251.378 0.527 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000246735123 524921834 /nfs/dbraw/zinc/92/18/34/524921834.db2.gz YPNGZBPRAUELAC-ZIAGYGMSSA-N 2 0 295.427 0.840 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1C ZINC000157847582 525432549 /nfs/dbraw/zinc/43/25/49/525432549.db2.gz UIYFQJSWQRUVJT-KKOKHZNYSA-N 2 0 255.362 0.092 10 0 CCAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCOCC1 ZINC000054627964 527147172 /nfs/dbraw/zinc/14/71/72/527147172.db2.gz NVQMRBBLFGVZNI-AGUYFDCRSA-N 2 0 253.390 0.663 10 0 CCAERP CC(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675079949 545321290 /nfs/dbraw/zinc/32/12/90/545321290.db2.gz KEIXPKXIUPDHLS-FQUUOJAGSA-N 2 0 256.390 0.893 10 0 CCAERP COCC[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C 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WTSIKJDPEDYHMP-CYBMUJFWSA-N 2 0 297.443 0.537 10 0 CCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333362648 205256555 /nfs/dbraw/zinc/25/65/55/205256555.db2.gz LIEORQLMXGCCAB-CHWSQXEVSA-N 2 0 268.405 0.770 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638107410 374674365 /nfs/dbraw/zinc/67/43/65/374674365.db2.gz FHGUNQHESBVDII-QWHCGFSZSA-N 2 0 251.374 0.977 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(C[NH3+])nc1 ZINC000638108727 374676631 /nfs/dbraw/zinc/67/66/31/374676631.db2.gz NVMPDSGNYLRBDQ-LBPRGKRZSA-N 2 0 277.372 0.492 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638110038 374678165 /nfs/dbraw/zinc/67/81/65/374678165.db2.gz ZMUZCSVJVJAKIB-GRYCIOLGSA-N 2 0 255.362 0.045 10 0 CCAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000638109917 374678872 /nfs/dbraw/zinc/67/88/72/374678872.db2.gz ZOAJIUIMCXPFAC-OBJOEFQTSA-N 2 0 267.373 0.060 10 0 CCAERP COCCC1(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000638528765 375118518 /nfs/dbraw/zinc/11/85/18/375118518.db2.gz RRXSSDQOZRFGLV-CYBMUJFWSA-N 2 0 283.416 0.603 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000334948263 207338570 /nfs/dbraw/zinc/33/85/70/207338570.db2.gz YZOMIQVOWOLMQO-YPMHNXCESA-N 2 0 254.378 0.379 10 0 CCAERP CC[C@H]1CN(C(=O)C[NH+](C)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247044231 285041047 /nfs/dbraw/zinc/04/10/47/285041047.db2.gz YDLABRDNUBZQRG-KBPBESRZSA-N 2 0 285.432 0.630 10 0 CCAERP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000335381761 208327473 /nfs/dbraw/zinc/32/74/73/208327473.db2.gz SVCFHAQHXMLWHW-AAEUAGOBSA-N 2 0 253.390 0.912 10 0 CCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333362655 285204381 /nfs/dbraw/zinc/20/43/81/285204381.db2.gz LIEORQLMXGCCAB-STQMWFEESA-N 2 0 268.405 0.770 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171903781 285265521 /nfs/dbraw/zinc/26/55/21/285265521.db2.gz QXEUUDXHMFHPQE-UONOGXRCSA-N 2 0 280.416 0.960 10 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C[NH+]1CCC(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000044526615 411630531 /nfs/dbraw/zinc/63/05/31/411630531.db2.gz KEODIGCQBKRHMZ-UHFFFAOYSA-N 2 0 253.390 0.962 10 0 CCAERP CCCN(CC[NH+](C)C)C(=O)C1(C[NH3+])CCOCC1 ZINC000045708945 411636997 /nfs/dbraw/zinc/63/69/97/411636997.db2.gz IWGKGQVGSLXYPA-UHFFFAOYSA-N 2 0 271.405 0.542 10 0 CCAERP CC[NH+]1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000035429950 172198377 /nfs/dbraw/zinc/19/83/77/172198377.db2.gz QDWGYDJAEKTBPH-UHFFFAOYSA-N 2 0 265.386 0.996 10 0 CCAERP CC(C)[NH+]1CCN(C2(C[NH3+])CC[NH+](C)CC2)CC1 ZINC000036170715 172490066 /nfs/dbraw/zinc/49/00/66/172490066.db2.gz UKKYQVVCOWXTEA-UHFFFAOYSA-N 3 0 254.422 0.436 10 0 CCAERP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000662260399 414701527 /nfs/dbraw/zinc/70/15/27/414701527.db2.gz MFJZJCVCVGUSCE-ZIAGYGMSSA-N 2 0 265.401 0.678 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000665275387 415584175 /nfs/dbraw/zinc/58/41/75/415584175.db2.gz JOOOJEHCXOPSFY-WDEREUQCSA-N 2 0 260.403 0.541 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257940 545880259 /nfs/dbraw/zinc/88/02/59/545880259.db2.gz AGGFVSSQNWAVIR-JTQLQIEISA-N 2 0 251.334 0.339 10 0 CCAERP c1cc(NC[C@@H]2C[NH2+]CCS2)n(C2C[NH2+]C2)n1 ZINC000725260159 545881606 /nfs/dbraw/zinc/88/16/06/545881606.db2.gz OIFBYZINACYROM-JTQLQIEISA-N 2 0 253.375 0.144 10 0 CCAERP [NH3+]CCCCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258329 545882557 /nfs/dbraw/zinc/88/25/57/545882557.db2.gz OUKOGVRBJULFAE-UHFFFAOYSA-N 2 0 251.334 0.485 10 0 CCAERP CCC[C@H](C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258573 545882609 /nfs/dbraw/zinc/88/26/09/545882609.db2.gz TUWVYTBBMHESQB-SECBINFHSA-N 2 0 251.334 0.341 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000098061774 544556237 /nfs/dbraw/zinc/55/62/37/544556237.db2.gz KEZFVPLMOIJJCS-QWHCGFSZSA-N 2 0 281.400 0.450 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000098061773 544556474 /nfs/dbraw/zinc/55/64/74/544556474.db2.gz KEZFVPLMOIJJCS-CHWSQXEVSA-N 2 0 281.400 0.450 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000136426685 544638954 /nfs/dbraw/zinc/63/89/54/544638954.db2.gz BWZPBCUUHPXSFF-ZDUSSCGKSA-N 2 0 270.421 0.114 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250341903 544922214 /nfs/dbraw/zinc/92/22/14/544922214.db2.gz DAAQIIHFTSLLLS-XQQFMLRXSA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262080080 544939586 /nfs/dbraw/zinc/93/95/86/544939586.db2.gz DYJVGLNZGKGWCC-SIXLDLHFSA-N 2 0 289.423 0.677 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1C ZINC000333898323 545044343 /nfs/dbraw/zinc/04/43/43/545044343.db2.gz ZLFOWHLUXYYOHX-XJFOESAGSA-N 2 0 298.431 0.223 10 0 CCAERP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167393594 278866068 /nfs/dbraw/zinc/86/60/68/278866068.db2.gz NJNNUFZNEQICHX-ZIAGYGMSSA-N 2 0 283.416 0.685 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247556670 279319046 /nfs/dbraw/zinc/31/90/46/279319046.db2.gz QXEUUDXHMFHPQE-KBPBESRZSA-N 2 0 280.416 0.960 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000173500230 279332446 /nfs/dbraw/zinc/33/24/46/279332446.db2.gz XSCFMUJHPVSMIJ-UONOGXRCSA-N 2 0 280.416 0.960 10 0 CCAERP CC1(C)CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[C@@H]1[NH3+] ZINC000335294339 281188594 /nfs/dbraw/zinc/18/85/94/281188594.db2.gz LDTOHAMIZSKADW-UWVGGRQHSA-N 2 0 290.358 0.752 10 0 CCAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000335705797 289393383 /nfs/dbraw/zinc/39/33/83/289393383.db2.gz OCJXPPUFSBOAQO-STQMWFEESA-N 2 0 268.405 0.816 10 0 CCAERP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C12CCC2 ZINC000262074368 294034614 /nfs/dbraw/zinc/03/46/14/294034614.db2.gz CWVLZJATRCYWSA-NJMOYASZSA-N 2 0 254.374 0.360 10 0 CCAERP [NH3+]CCCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237901004 295226971 /nfs/dbraw/zinc/22/69/71/295226971.db2.gz QIDJHHSWTRMENN-ZDUSSCGKSA-N 2 0 269.389 0.296 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000247508659 300318151 /nfs/dbraw/zinc/31/81/51/300318151.db2.gz VQWDWUCOLVBDKB-JSGCOSHPSA-N 2 0 280.416 0.959 10 0 CCAERP CC[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000394041185 329095776 /nfs/dbraw/zinc/09/57/76/329095776.db2.gz FCJIGLUKOCYLKV-MCIONIFRSA-N 2 0 255.406 0.468 10 0 CCAERP CC[NH2+][C@H](CCN1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000062531914 520189628 /nfs/dbraw/zinc/18/96/28/520189628.db2.gz KIRQATCLSJTQAF-QWHCGFSZSA-N 2 0 270.421 0.256 10 0 CCAERP CC[NH2+]C[C@@H](C(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655016 519931257 /nfs/dbraw/zinc/93/12/57/519931257.db2.gz PTZNBVYTHWZPCY-HNNXBMFYSA-N 2 0 270.465 0.800 10 0 CCAERP CN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049641524 522413633 /nfs/dbraw/zinc/41/36/33/522413633.db2.gz BKTXLLXHBMGJAC-NSHDSACASA-N 2 0 275.418 0.094 10 0 CCAERP C[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000049631062 523777835 /nfs/dbraw/zinc/77/78/35/523777835.db2.gz ZYBCUAMJXQTBOU-LBPRGKRZSA-N 2 0 275.418 0.142 10 0 CCAERP C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055130376 524558828 /nfs/dbraw/zinc/55/88/28/524558828.db2.gz ARKZBTSNEZUQOS-XQHKEYJVSA-N 2 0 253.390 0.818 10 0 CCAERP C[NH2+]CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262389732 536444765 /nfs/dbraw/zinc/44/47/65/536444765.db2.gz OBGWYMIGQKCMBN-UONOGXRCSA-N 2 0 279.359 0.997 10 0 CCAERP [NH3+]C[C@@H]1CC[C@H](CN2CC[NH+](CC3CC3)CC2)O1 ZINC000052372477 527218980 /nfs/dbraw/zinc/21/89/80/527218980.db2.gz NMBDZUAFQQKADU-UONOGXRCSA-N 2 0 253.390 0.520 10 0 CCAERP CS[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1[NH+](C)C ZINC000262565900 295670220 /nfs/dbraw/zinc/67/02/20/295670220.db2.gz LFTIOAUNFWKXDB-NEPJUHHUSA-N 2 0 271.430 0.490 10 0 CCAERP CC[NH+](CC)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788808 349872438 /nfs/dbraw/zinc/87/24/38/349872438.db2.gz AGVCJTCJJCQLBI-GFCCVEGCSA-N 2 0 257.378 0.117 10 0 CCAERP C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)C[C@H]12 ZINC000101779456 185758532 /nfs/dbraw/zinc/75/85/32/185758532.db2.gz RRVWFZSKOUIJRJ-WCXIOVBPSA-N 2 0 299.418 0.967 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000262526228 137046258 /nfs/dbraw/zinc/04/62/58/137046258.db2.gz GRNGXJKHJIVBIS-AXFHLTTASA-N 2 0 291.486 0.571 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000261827891 137021405 /nfs/dbraw/zinc/02/14/05/137021405.db2.gz ADDQRBUUYSPQTR-GXFFZTMASA-N 2 0 278.381 0.604 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000263249348 137061764 /nfs/dbraw/zinc/06/17/64/137061764.db2.gz PQMCJDISXBNZPW-UKRRQHHQSA-N 2 0 272.352 0.542 10 0 CCAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000263261408 137062271 /nfs/dbraw/zinc/06/22/71/137062271.db2.gz RAUJIFFCUNFCLV-CJNGLKHVSA-N 2 0 275.396 0.825 10 0 CCAERP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263291703 137063214 /nfs/dbraw/zinc/06/32/14/137063214.db2.gz VTHNFFWEUFNTQI-YUTCNCBUSA-N 2 0 264.369 0.796 10 0 CCAERP C[N@H+](C[C@H](O)CN1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000310923214 137073138 /nfs/dbraw/zinc/07/31/38/137073138.db2.gz HMYIOFKZJQSJGH-KGLIPLIRSA-N 2 0 253.390 0.222 10 0 CCAERP CNC1=[NH+]C[C@@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000032218503 348131969 /nfs/dbraw/zinc/13/19/69/348131969.db2.gz VRAQGWMAAWWDBM-AWEZNQCLSA-N 2 0 274.368 0.783 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000040772592 348242172 /nfs/dbraw/zinc/24/21/72/348242172.db2.gz WUFUOMLYLAHRCS-CHWSQXEVSA-N 2 0 269.389 0.211 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054292201 348548133 /nfs/dbraw/zinc/54/81/33/348548133.db2.gz RPDZOMYCTPPDOJ-QWHCGFSZSA-N 2 0 253.390 0.834 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000052062635 348503574 /nfs/dbraw/zinc/50/35/74/348503574.db2.gz OYEATQVYSLECFN-ZIAGYGMSSA-N 2 0 281.400 0.450 10 0 CCAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000091409020 180148335 /nfs/dbraw/zinc/14/83/35/180148335.db2.gz CIAQCEREVIXFRC-HNNXBMFYSA-N 2 0 273.380 0.987 10 0 CCAERP CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000129718367 350221301 /nfs/dbraw/zinc/22/13/01/350221301.db2.gz KFACAUUMOIGMPV-GFCCVEGCSA-N 2 0 280.416 0.023 10 0 CCAERP CC(C)[N@H+]1C[C@H](NC(=O)NCCn2ccnc2)[C@@H](C)C1 ZINC000130793244 350248589 /nfs/dbraw/zinc/24/85/89/350248589.db2.gz DKMSCYCXLVXKKD-STQMWFEESA-N 2 0 279.388 0.911 10 0 CCAERP C[NH+](C)C1(CNC(=O)C(C)(C)N2CC[NH2+]CC2)CCCC1 ZINC000149267235 350478030 /nfs/dbraw/zinc/47/80/30/350478030.db2.gz VZEDGIZMDVXTSV-UHFFFAOYSA-N 2 0 296.459 0.661 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000157820517 350650004 /nfs/dbraw/zinc/65/00/04/350650004.db2.gz VZPWOWWVKDABGC-AGIUHOORSA-N 2 0 253.390 0.975 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[N@@H+]1C ZINC000158098366 350653103 /nfs/dbraw/zinc/65/31/03/350653103.db2.gz JHPDTOHOHHEOAR-FVCCEPFGSA-N 2 0 253.390 0.973 10 0 CCAERP C(CN1CC[NH+]2CCC[C@@H]2C1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172656183 351002952 /nfs/dbraw/zinc/00/29/52/351002952.db2.gz ZQNPSEPPMPRVON-IAGOWNOFSA-N 2 0 292.471 0.937 10 0 CCAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1(C)C ZINC000188287012 351586098 /nfs/dbraw/zinc/58/60/98/351586098.db2.gz AOZDHBKINQGMOK-SMTWKSNJSA-N 2 0 295.427 0.715 10 0 CCAERP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccnn1C ZINC000192838291 351801019 /nfs/dbraw/zinc/80/10/19/351801019.db2.gz KSMVPOSHESJOCI-LBPRGKRZSA-N 2 0 266.389 0.775 10 0 CCAERP CC(C)[NH2+]CCN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000191485780 351761078 /nfs/dbraw/zinc/76/10/78/351761078.db2.gz QXMZYKGNAZQMFY-UHFFFAOYSA-N 2 0 279.432 0.926 10 0 CCAERP CCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000236814235 352217828 /nfs/dbraw/zinc/21/78/28/352217828.db2.gz MKXOYTWGXSFUJX-JSGCOSHPSA-N 2 0 283.416 0.826 10 0 CCAERP C[C@H]1C[N@@H+](C2CCN(C(=O)C(C)(C)[NH3+])CC2)CCO1 ZINC000237662650 352277971 /nfs/dbraw/zinc/27/79/71/352277971.db2.gz VUTOWAWVUHWPIZ-NSHDSACASA-N 2 0 269.389 0.435 10 0 CCAERP CO[C@@H](C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000248404624 352438734 /nfs/dbraw/zinc/43/87/34/352438734.db2.gz AGBKADCSIBFODF-JKSUJKDBSA-N 2 0 299.459 0.748 10 0 CCAERP C[C@@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000248950227 352468864 /nfs/dbraw/zinc/46/88/64/352468864.db2.gz AZVGDCPAJNFJPZ-UPJWGTAASA-N 2 0 283.416 0.681 10 0 CCAERP O=C(C[NH2+]C[C@@H]1CCCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328634703 354243568 /nfs/dbraw/zinc/24/35/68/354243568.db2.gz MYBZYJFHRMQNGS-OCCSQVGLSA-N 2 0 281.400 0.498 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000333502184 283276651 /nfs/dbraw/zinc/27/66/51/283276651.db2.gz HWCSXTYRSXNZOM-SRVKXCTJSA-N 2 0 299.382 0.638 10 0 CCAERP C[C@@H]([NH3+])C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186575632 296013924 /nfs/dbraw/zinc/01/39/24/296013924.db2.gz LSJSUWXHQDFHJK-OCCSQVGLSA-N 2 0 276.384 0.900 10 0 CCAERP C[C@H]1C[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000631844608 370710313 /nfs/dbraw/zinc/71/03/13/370710313.db2.gz KAFSXNRSUCYCQR-RYUDHWBXSA-N 2 0 287.363 0.809 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333366380 205257119 /nfs/dbraw/zinc/25/71/19/205257119.db2.gz LVCYTKOLOGNHCW-NTZNESFSSA-N 2 0 266.389 0.378 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333450628 205330353 /nfs/dbraw/zinc/33/03/53/205330353.db2.gz XMDIPXUWLKNPHT-YRGRVCCFSA-N 2 0 280.416 0.910 10 0 CCAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392933687 285206749 /nfs/dbraw/zinc/20/67/49/285206749.db2.gz LNEZQJBPLXMMSM-LOWDOPEQSA-N 2 0 251.374 0.870 10 0 CCAERP CC1(C)OCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336903310 389029825 /nfs/dbraw/zinc/02/98/25/389029825.db2.gz VCXKUBDFCDSBKY-STQMWFEESA-N 2 0 256.390 0.990 10 0 CCAERP C[C@H](Cn1cccn1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336819089 389023835 /nfs/dbraw/zinc/02/38/35/389023835.db2.gz YEVJILDILAUHSZ-KGLIPLIRSA-N 2 0 266.389 0.708 10 0 CCAERP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100245745 389071121 /nfs/dbraw/zinc/07/11/21/389071121.db2.gz YCWLULSIZCNEPM-YRGRVCCFSA-N 2 0 253.390 0.947 10 0 CCAERP CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1C[NH+]2CCC1CC2 ZINC000311795629 389105316 /nfs/dbraw/zinc/10/53/16/389105316.db2.gz YYUDYFSGNGDNHX-OCCSQVGLSA-N 2 0 265.401 0.929 10 0 CCAERP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000111857393 389115935 /nfs/dbraw/zinc/11/59/35/389115935.db2.gz NYMSRXJNVRXHDZ-CQSZACIVSA-N 2 0 298.431 0.489 10 0 CCAERP CC[C@@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247168662 389236940 /nfs/dbraw/zinc/23/69/40/389236940.db2.gz MSHZPXYIVKWPPC-JSGCOSHPSA-N 2 0 286.416 0.963 10 0 CCAERP [NH3+]C[C@H]1CCCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333647401 389438305 /nfs/dbraw/zinc/43/83/05/389438305.db2.gz JFWFHGDMHSAEFU-NWDGAFQWSA-N 2 0 254.378 0.651 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747055 389619820 /nfs/dbraw/zinc/61/98/20/389619820.db2.gz ORNJNBGKNSDISV-CHWSQXEVSA-N 2 0 251.374 0.811 10 0 CCAERP COC[C@]1(C(=O)NC2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000643773699 390539937 /nfs/dbraw/zinc/53/99/37/390539937.db2.gz POSGUWBQJMWTOE-HNNXBMFYSA-N 2 0 283.416 0.744 10 0 CCAERP COC[C@@]1(C(=O)NCCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000649281610 390548612 /nfs/dbraw/zinc/54/86/12/390548612.db2.gz WSJJGVJYOASZJW-CQSZACIVSA-N 2 0 269.389 0.357 10 0 CCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649293785 390553878 /nfs/dbraw/zinc/55/38/78/390553878.db2.gz ISNSPBUONSHPCD-CHWSQXEVSA-N 2 0 269.389 0.213 10 0 CCAERP O=C([C@H]1C[NH2+]CCOC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000649302086 390561879 /nfs/dbraw/zinc/56/18/79/390561879.db2.gz UHGLTSXCSADEJQ-KBPBESRZSA-N 2 0 281.400 0.309 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305919 390565840 /nfs/dbraw/zinc/56/58/40/390565840.db2.gz LYAVWGXBSATFCT-QWRGUYRKSA-N 2 0 275.343 0.832 10 0 CCAERP COC[C@@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000649308528 390568244 /nfs/dbraw/zinc/56/82/44/390568244.db2.gz MKOQMVQAGVZRSF-WCQYABFASA-N 2 0 257.378 0.211 10 0 CCAERP CC[N@H+](CCNC(=O)[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000649318565 390575355 /nfs/dbraw/zinc/57/53/55/390575355.db2.gz WGWZAURECCNFNK-AWEZNQCLSA-N 2 0 269.389 0.356 10 0 CCAERP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000380941176 397483731 /nfs/dbraw/zinc/48/37/31/397483731.db2.gz YAUGTQWVZPKIKK-MCIONIFRSA-N 2 0 265.401 0.914 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104206321 297111428 /nfs/dbraw/zinc/11/14/28/297111428.db2.gz MLBLAKPLOPHTRE-ZWNOBZJWSA-N 2 0 251.374 0.585 10 0 CCAERP CC[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000168006542 287133080 /nfs/dbraw/zinc/13/30/80/287133080.db2.gz YKKADAVBEBJOJC-UKRRQHHQSA-N 2 0 297.443 0.680 10 0 CCAERP C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653105457 412220412 /nfs/dbraw/zinc/22/04/12/412220412.db2.gz WOKCQRLCSITKSC-NXEZZACHSA-N 2 0 279.306 0.595 10 0 CCAERP C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653164259 412249432 /nfs/dbraw/zinc/24/94/32/412249432.db2.gz ZWFRRXDGDFHAMF-RKDXNWHRSA-N 2 0 267.295 0.452 10 0 CCAERP C[NH+](C)CCOC(OCC[NH+](C)C)OCC[NH+](C)C ZINC000038654820 174150973 /nfs/dbraw/zinc/15/09/73/174150973.db2.gz ZJGOLYSJMPMQPD-UHFFFAOYSA-N 3 0 277.409 0.005 10 0 CCAERP CN(C)Nc1[nH+]cnc(NCC[NH+]2CCCCC2)c1N ZINC000040756247 174396371 /nfs/dbraw/zinc/39/63/71/174396371.db2.gz FLBBTXBMTVMALI-UHFFFAOYSA-N 2 0 279.392 0.845 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000665275364 415583777 /nfs/dbraw/zinc/58/37/77/415583777.db2.gz JDMPJSWUDQJEKD-RYUDHWBXSA-N 2 0 274.430 0.931 10 0 CCAERP CC[NH+]1CCN(C[C@@H](CC[NH3+])[NH+]2CCCCC2)CC1 ZINC000076705776 177065361 /nfs/dbraw/zinc/06/53/61/177065361.db2.gz USBYMSORKLYEPV-OAHLLOKOSA-N 3 0 268.449 0.827 10 0 CCAERP CC(C)[NH+]1CCN([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264377 545884621 /nfs/dbraw/zinc/88/46/21/545884621.db2.gz JTSYLNQERZQSFV-UONOGXRCSA-N 2 0 267.417 0.909 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)[C@H]2C1 ZINC000333817396 545043254 /nfs/dbraw/zinc/04/32/54/545043254.db2.gz KIFBYMJMGVFQRF-UPJWGTAASA-N 2 0 266.389 0.459 10 0 CCAERP CC1CC[NH+](CCNC(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000333938509 545044567 /nfs/dbraw/zinc/04/45/67/545044567.db2.gz MMQHSCAGMNVVFE-CYBMUJFWSA-N 2 0 268.405 0.627 10 0 CCAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000333678902 545041754 /nfs/dbraw/zinc/04/17/54/545041754.db2.gz OMELWHAUKXWEGZ-ZOBORPQBSA-N 2 0 280.416 0.897 10 0 CCAERP CSC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000187879722 261795186 /nfs/dbraw/zinc/79/51/86/261795186.db2.gz ICDWFCMBJMJLED-OCCSQVGLSA-N 2 0 290.473 0.735 10 0 CCAERP CC1(C)OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336903308 276156791 /nfs/dbraw/zinc/15/67/91/276156791.db2.gz VCXKUBDFCDSBKY-QWHCGFSZSA-N 2 0 256.390 0.990 10 0 CCAERP CCN(CC)C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862058 276316994 /nfs/dbraw/zinc/31/69/94/276316994.db2.gz BGAUNVCXEZMVGX-CQSZACIVSA-N 2 0 299.459 0.879 10 0 CCAERP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000335381764 277582108 /nfs/dbraw/zinc/58/21/08/277582108.db2.gz SVCFHAQHXMLWHW-YPMHNXCESA-N 2 0 253.390 0.912 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647567 279294863 /nfs/dbraw/zinc/29/48/63/279294863.db2.gz WLGYVODHKMJMBG-JHJVBQTASA-N 2 0 253.390 0.975 10 0 CCAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333652743 289792524 /nfs/dbraw/zinc/79/25/24/289792524.db2.gz KBPAZJOKYIHPCW-AVGNSLFASA-N 2 0 268.405 0.897 10 0 CCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)NC3C[NH2+]C3)C2)CC1 ZINC000335378323 289889938 /nfs/dbraw/zinc/88/99/38/289889938.db2.gz LAPKPNPZJBVKTE-GFCCVEGCSA-N 2 0 266.389 0.332 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335323568 300570679 /nfs/dbraw/zinc/57/06/79/300570679.db2.gz HUARFTHYSLLVTL-CHWSQXEVSA-N 2 0 265.401 0.977 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333672097 303837031 /nfs/dbraw/zinc/83/70/31/303837031.db2.gz NGPIYDQIYSAADI-CYBMUJFWSA-N 2 0 280.416 0.914 10 0 CCAERP C[NH+]1CCN([C@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959983 330384114 /nfs/dbraw/zinc/38/41/14/330384114.db2.gz NCMJAQJSNOPTFI-QWHCGFSZSA-N 2 0 283.416 0.554 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000576827158 335252940 /nfs/dbraw/zinc/25/29/40/335252940.db2.gz WBFSDEANNMMFLP-FRRDWIJNSA-N 2 0 253.390 0.642 10 0 CCAERP CCC[NH2+]Cc1cn(CC[N@H+](C)CCOC)nn1 ZINC000052572866 519960578 /nfs/dbraw/zinc/96/05/78/519960578.db2.gz GOWKYBVDCGOGSD-UHFFFAOYSA-N 2 0 255.366 0.356 10 0 CCAERP CC[NH+](CC)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567609 520737169 /nfs/dbraw/zinc/73/71/69/520737169.db2.gz DZXUCUJOYHAONX-MGPQQGTHSA-N 2 0 255.406 0.515 10 0 CCAERP CC[C@@H](C)[NH+]1CCN([C@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000055065865 522130971 /nfs/dbraw/zinc/13/09/71/522130971.db2.gz OPDWEMCZYDXKPZ-RDBSUJKOSA-N 2 0 255.406 0.779 10 0 CCAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645237 522366644 /nfs/dbraw/zinc/36/66/44/522366644.db2.gz AASQICXWMNVMHC-OLZOCXBDSA-N 2 0 270.421 0.066 10 0 CCAERP C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631553 524166096 /nfs/dbraw/zinc/16/60/96/524166096.db2.gz UEVTVUUEKRNSQH-NEPJUHHUSA-N 2 0 277.434 0.388 10 0 CCAERP C[C@H](C[NH3+])C[N@@H+]1CCCN(c2nccn2C)CC1 ZINC000050605367 524307293 /nfs/dbraw/zinc/30/72/93/524307293.db2.gz JUTQTHRDNKEVRN-GFCCVEGCSA-N 2 0 251.378 0.527 10 0 CCAERP Cc1nn(C)c(N2CC[NH+](CC(C)C)CC2)c1C[NH3+] ZINC000055080256 527675895 /nfs/dbraw/zinc/67/58/95/527675895.db2.gz DDXOGNTXIIECNU-UHFFFAOYSA-N 2 0 265.405 0.965 10 0 CCAERP CN1CC[NH2+]C[C@H]1c1noc(C2CC[NH+](C)CC2)n1 ZINC000263263874 536346062 /nfs/dbraw/zinc/34/60/62/536346062.db2.gz RGENUYFAEPOCME-NSHDSACASA-N 2 0 265.361 0.455 10 0 CCAERP C[NH2+][C@H]1CCCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000261633293 536410391 /nfs/dbraw/zinc/41/03/91/536410391.db2.gz BGECYQOVSVPQEY-JSGCOSHPSA-N 2 0 269.389 0.213 10 0 CCAERP COCCOCCOCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226466179 636986842 /nfs/dbraw/zinc/98/68/42/636986842.db2.gz LEUVDTWRUIVPMO-AWEZNQCLSA-N 2 0 274.405 0.740 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543815 349466886 /nfs/dbraw/zinc/46/68/86/349466886.db2.gz MMCOQMHRECAXEX-QWHCGFSZSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000094460232 349567775 /nfs/dbraw/zinc/56/77/75/349567775.db2.gz FNUQPIUVJCKFIF-BZPMIXESSA-N 2 0 251.374 0.824 10 0 CCAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000333262208 282267700 /nfs/dbraw/zinc/26/77/00/282267700.db2.gz FVKXEHRPJGDVGT-KGLIPLIRSA-N 2 0 298.431 0.491 10 0 CCAERP CCC[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000162130500 290738604 /nfs/dbraw/zinc/73/86/04/290738604.db2.gz ZWEAUBBEZZTLBU-KBPBESRZSA-N 2 0 284.448 0.469 10 0 CCAERP CCC[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)[NH+](C)C ZINC000162149215 290738769 /nfs/dbraw/zinc/73/87/69/290738769.db2.gz BHRVSXDZPQWOES-CYBMUJFWSA-N 2 0 285.432 0.944 10 0 CCAERP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089460910 136798756 /nfs/dbraw/zinc/79/87/56/136798756.db2.gz ZQLZEBJTHTWRQH-CHWSQXEVSA-N 2 0 253.390 0.819 10 0 CCAERP C[C@H](C[NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000262479127 137044593 /nfs/dbraw/zinc/04/45/93/137044593.db2.gz ZESZZAJEUFAQGZ-VXGBXAGGSA-N 2 0 269.389 0.293 10 0 CCAERP CC1(C)C[N@H+](CCC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000261751163 137018149 /nfs/dbraw/zinc/01/81/49/137018149.db2.gz QCZROWQJLFGNSL-LBPRGKRZSA-N 2 0 269.389 0.295 10 0 CCAERP C[C@H]([NH3+])CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000261864623 137023240 /nfs/dbraw/zinc/02/32/40/137023240.db2.gz PYKNCWCKGXPRJV-RYUDHWBXSA-N 2 0 269.389 0.435 10 0 CCAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263292596 137063103 /nfs/dbraw/zinc/06/31/03/137063103.db2.gz VUUAJKCRZHQFHV-WFASDCNBSA-N 2 0 287.367 0.246 10 0 CCAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000041680286 348258455 /nfs/dbraw/zinc/25/84/55/348258455.db2.gz ZMYIDQCGBDETRB-VXGBXAGGSA-N 2 0 257.378 0.164 10 0 CCAERP COCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104211512 185933086 /nfs/dbraw/zinc/93/30/86/185933086.db2.gz NSCXCOWSHYUUDS-CHWSQXEVSA-N 2 0 271.405 0.269 10 0 CCAERP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000170836418 350866935 /nfs/dbraw/zinc/86/69/35/350866935.db2.gz NYOGOSDIRBNHTL-CYBMUJFWSA-N 2 0 268.405 0.816 10 0 CCAERP C[NH+](C)C[C@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000179245049 351262024 /nfs/dbraw/zinc/26/20/24/351262024.db2.gz CJTHQIDKKATABM-AWEZNQCLSA-N 2 0 255.406 0.735 10 0 CCAERP C[C@@H]([NH3+])C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186575615 351504014 /nfs/dbraw/zinc/50/40/14/351504014.db2.gz LSJSUWXHQDFHJK-TZMCWYRMSA-N 2 0 276.384 0.900 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[N@H+](C)C1CC1 ZINC000220175607 351971935 /nfs/dbraw/zinc/97/19/35/351971935.db2.gz IXNUGDGOCWPKSL-NQBHXWOUSA-N 2 0 253.390 0.973 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3CSCC[NH2+]3)C[C@H]12 ZINC000248638989 352449882 /nfs/dbraw/zinc/44/98/82/352449882.db2.gz QXDLYECIZLSDCA-NOOOWODRSA-N 2 0 269.414 0.277 10 0 CCAERP C[C@H]1CN(CCCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH3+] ZINC000300168502 354059986 /nfs/dbraw/zinc/05/99/86/354059986.db2.gz VUOAHSRAFPZRFP-SMDDNHRTSA-N 2 0 287.363 0.952 10 0 CCAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000333911336 354814720 /nfs/dbraw/zinc/81/47/20/354814720.db2.gz FCMKZKGVJQKLND-YNEHKIRRSA-N 2 0 268.405 0.707 10 0 CCAERP C[N@H+](C[C@H](O)CN1CC[NH+]2CCCC[C@H]2C1)C1CC1 ZINC000336811388 355185844 /nfs/dbraw/zinc/18/58/44/355185844.db2.gz MSSVFMFAQKTQII-GJZGRUSLSA-N 2 0 267.417 0.612 10 0 CCAERP C[N@H+](C[C@@H](O)CN1CC[NH+]2CCCC[C@H]2C1)C1CC1 ZINC000336811390 355185961 /nfs/dbraw/zinc/18/59/61/355185961.db2.gz MSSVFMFAQKTQII-LSDHHAIUSA-N 2 0 267.417 0.612 10 0 CCAERP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000335939213 283109942 /nfs/dbraw/zinc/10/99/42/283109942.db2.gz TZVPGAUEWCVVRF-QWHCGFSZSA-N 2 0 251.374 0.635 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc2nnccc21 ZINC000616636548 365395043 /nfs/dbraw/zinc/39/50/43/365395043.db2.gz VQIYQYDGCIAGDJ-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cc2ccccc2nn1 ZINC000616637567 365398031 /nfs/dbraw/zinc/39/80/31/365398031.db2.gz ZBSYOAGNSKIMHK-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP CCOC(=O)c1ccc([C@H]2CN(CC[NH3+])CC[NH2+]2)cc1 ZINC000616654784 365411079 /nfs/dbraw/zinc/41/10/79/365411079.db2.gz QFNKJAWQQPUEHB-CQSZACIVSA-N 2 0 277.368 0.768 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@H](c2cccc3nnccc32)C1 ZINC000616601903 365381190 /nfs/dbraw/zinc/38/11/90/365381190.db2.gz JIFBKAOEKDGELR-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000333311582 205209115 /nfs/dbraw/zinc/20/91/15/205209115.db2.gz RXHVTOBHZABUGQ-KFWWJZLASA-N 2 0 295.427 0.731 10 0 CCAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000333350433 205242941 /nfs/dbraw/zinc/24/29/41/205242941.db2.gz AZWFADONFGGXQM-LOWVWBTDSA-N 2 0 291.399 0.449 10 0 CCAERP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333502418 205380384 /nfs/dbraw/zinc/38/03/84/205380384.db2.gz DLFJLYRMCBNRCM-CYBMUJFWSA-N 2 0 284.404 0.150 10 0 CCAERP [NH3+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000637797022 374320686 /nfs/dbraw/zinc/32/06/86/374320686.db2.gz HUCKFEBZJUKPFS-LBPRGKRZSA-N 2 0 251.374 0.812 10 0 CCAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000638072114 374623394 /nfs/dbraw/zinc/62/33/94/374623394.db2.gz QFQXCFRQBDNKMP-YDHLFZDLSA-N 2 0 285.432 0.846 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638072038 374624977 /nfs/dbraw/zinc/62/49/77/374624977.db2.gz OLDVNCAQPQGXBP-OCCSQVGLSA-N 2 0 271.405 0.457 10 0 CCAERP [NH3+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F ZINC000638397164 374991684 /nfs/dbraw/zinc/99/16/84/374991684.db2.gz PLIGAVCWBIERIO-VIFPVBQESA-N 2 0 279.306 0.868 10 0 CCAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262430609 190055071 /nfs/dbraw/zinc/05/50/71/190055071.db2.gz RPPSXGBUOUKSNK-OCCSQVGLSA-N 2 0 277.368 0.718 10 0 CCAERP CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000334887357 207246213 /nfs/dbraw/zinc/24/62/13/207246213.db2.gz YMAUBQREQKERQW-LLVKDONJSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000251830111 285149968 /nfs/dbraw/zinc/14/99/68/285149968.db2.gz PLVDYYUQKUDLMA-RVMXOQNASA-N 2 0 251.374 0.680 10 0 CCAERP CC(C)[C@](C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000187182701 388870680 /nfs/dbraw/zinc/87/06/80/388870680.db2.gz DYYQJQMGMHEPAQ-GDBMZVCRSA-N 2 0 297.443 0.632 10 0 CCAERP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000105269527 389085350 /nfs/dbraw/zinc/08/53/50/389085350.db2.gz NJAMLIJDTHDSAZ-WCQYABFASA-N 2 0 268.405 0.815 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(C)(C)O)CC1 ZINC000105903239 389089293 /nfs/dbraw/zinc/08/92/93/389089293.db2.gz DZKAQRKZBDNJRU-LBPRGKRZSA-N 2 0 258.406 0.782 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333497342 389415068 /nfs/dbraw/zinc/41/50/68/389415068.db2.gz FAOXLEKJSGVHIV-UKRRQHHQSA-N 2 0 280.416 0.914 10 0 CCAERP NC(=O)c1c[nH+]ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000399205782 389789331 /nfs/dbraw/zinc/78/93/31/389789331.db2.gz VTYPMBOUZOFMIU-MVWJERBFSA-N 2 0 260.341 0.744 10 0 CCAERP COC[C@]1(C(=O)NCC(C)(C)[NH+](C)C)CCC[NH2+]1 ZINC000649278089 390545375 /nfs/dbraw/zinc/54/53/75/390545375.db2.gz KRHOFLWCTDHAKU-ZDUSSCGKSA-N 2 0 257.378 0.211 10 0 CCAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649285178 390550135 /nfs/dbraw/zinc/55/01/35/390550135.db2.gz RINLDXSFNRZFAL-GFCCVEGCSA-N 2 0 269.389 0.165 10 0 CCAERP COC[C@@]1(C(=O)NCCCC[NH+](C)C)CCC[NH2+]1 ZINC000649295408 390555412 /nfs/dbraw/zinc/55/54/12/390555412.db2.gz HSLLRFDUFFMBFH-CYBMUJFWSA-N 2 0 257.378 0.213 10 0 CCAERP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649298100 390558473 /nfs/dbraw/zinc/55/84/73/390558473.db2.gz QNSLYKSRAGPNCR-SWLSCSKDSA-N 2 0 281.400 0.356 10 0 CCAERP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000649301395 390561153 /nfs/dbraw/zinc/56/11/53/390561153.db2.gz ZLTLGKONWWTWPM-STQMWFEESA-N 2 0 269.389 0.071 10 0 CCAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649304029 390563734 /nfs/dbraw/zinc/56/37/34/390563734.db2.gz ZSOMXOQUOBLHDK-JSGCOSHPSA-N 2 0 271.405 0.602 10 0 CCAERP COC[C@]1(C(=O)N[C@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000649308529 390568363 /nfs/dbraw/zinc/56/83/63/390568363.db2.gz MKOQMVQAGVZRSF-YPMHNXCESA-N 2 0 257.378 0.211 10 0 CCAERP COC[C@]1(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000649319600 390577583 /nfs/dbraw/zinc/57/75/83/390577583.db2.gz IJUONTUGMNDRNN-FZMZJTMJSA-N 2 0 269.389 0.354 10 0 CCAERP COC[C@]1(C(=O)N2CCC([NH+](C)C)CC2)CCC[NH2+]1 ZINC000649354045 390604371 /nfs/dbraw/zinc/60/43/71/390604371.db2.gz CVLZGXWKKHBCRD-AWEZNQCLSA-N 2 0 269.389 0.308 10 0 CCAERP CN1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000657695933 413049845 /nfs/dbraw/zinc/04/98/45/413049845.db2.gz QKAVVIUAXIDRMD-XQQFMLRXSA-N 2 0 251.374 0.681 10 0 CCAERP [NH3+]C1CCC(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000037812664 397387082 /nfs/dbraw/zinc/38/70/82/397387082.db2.gz MLYKLZYTQACEJE-BPCQOVAHSA-N 2 0 251.374 0.811 10 0 CCAERP C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000062980317 411687823 /nfs/dbraw/zinc/68/78/23/411687823.db2.gz GFRNTWSOJYLPCH-GJZGRUSLSA-N 2 0 267.417 0.783 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111267221 411702474 /nfs/dbraw/zinc/70/24/74/411702474.db2.gz CFQITPGNQMGOFI-NTZNESFSSA-N 2 0 251.374 0.442 10 0 CCAERP [NH3+][C@@H](C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1)c1ccccc1 ZINC000328626375 411759461 /nfs/dbraw/zinc/75/94/61/411759461.db2.gz LQKZVEPVFIKEHQ-TZMCWYRMSA-N 2 0 285.351 1.056 10 0 CCAERP C[NH+](C)CCNS(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000020188817 171053343 /nfs/dbraw/zinc/05/33/43/171053343.db2.gz URJZMLKRCWQFDA-UHFFFAOYSA-N 2 0 275.349 0.124 10 0 CCAERP C[NH+](C)CCCNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189105 171054031 /nfs/dbraw/zinc/05/40/31/171054031.db2.gz BVRHITSYKNAPNJ-UHFFFAOYSA-N 2 0 289.376 0.514 10 0 CCAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](CCO)CC2)c1 ZINC000020225483 171088118 /nfs/dbraw/zinc/08/81/18/171088118.db2.gz PATWPUCVROFCIE-HNNXBMFYSA-N 2 0 263.385 0.605 10 0 CCAERP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000653118422 412227274 /nfs/dbraw/zinc/22/72/74/412227274.db2.gz LJLVDBOIBKQISU-GMTAPVOTSA-N 2 0 291.317 0.691 10 0 CCAERP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000038040774 174041323 /nfs/dbraw/zinc/04/13/23/174041323.db2.gz YFPIKXQNAZSPIG-UHFFFAOYSA-N 3 0 254.422 0.354 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662620780 414733695 /nfs/dbraw/zinc/73/36/95/414733695.db2.gz BEPWRIDZAKCBKQ-NWDGAFQWSA-N 2 0 253.390 0.975 10 0 CCAERP COC[C@]1(C(=O)NCC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662857391 414849634 /nfs/dbraw/zinc/84/96/34/414849634.db2.gz APOGZVBSGHYUJN-YPMHNXCESA-N 2 0 257.378 0.211 10 0 CCAERP C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC000665230875 415569598 /nfs/dbraw/zinc/56/95/98/415569598.db2.gz XKXXWZKBOLQANY-VXGBXAGGSA-N 2 0 277.434 0.246 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000665275362 415584159 /nfs/dbraw/zinc/58/41/59/415584159.db2.gz JDMPJSWUDQJEKD-NEPJUHHUSA-N 2 0 274.430 0.931 10 0 CCAERP C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC000333640938 296922216 /nfs/dbraw/zinc/92/22/16/296922216.db2.gz UJMHOXXRWVYANM-ABAIWWIYSA-N 2 0 273.380 0.794 10 0 CCAERP CCC[C@@H](C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258574 545881838 /nfs/dbraw/zinc/88/18/38/545881838.db2.gz TUWVYTBBMHESQB-VIFPVBQESA-N 2 0 251.334 0.341 10 0 CCAERP Cc1c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cnn1C ZINC000093649366 544542877 /nfs/dbraw/zinc/54/28/77/544542877.db2.gz DKCGVQXNTOXVHL-UHFFFAOYSA-N 2 0 279.432 0.844 10 0 CCAERP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089460912 544514595 /nfs/dbraw/zinc/51/45/95/544514595.db2.gz ZQLZEBJTHTWRQH-OLZOCXBDSA-N 2 0 253.390 0.819 10 0 CCAERP C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000091667362 544527514 /nfs/dbraw/zinc/52/75/14/544527514.db2.gz ZVPSWZKIGLBJRU-OCCSQVGLSA-N 2 0 255.406 0.637 10 0 CCAERP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000227374738 544834452 /nfs/dbraw/zinc/83/44/52/544834452.db2.gz DUNHQFDIXLDBLY-CQSZACIVSA-N 2 0 252.406 0.062 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)NCC[NH+]1CCSCC1 ZINC000225813390 544829009 /nfs/dbraw/zinc/82/90/09/544829009.db2.gz PVTSNQNKDZBRJK-NSHDSACASA-N 2 0 259.419 0.525 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250347695 544921950 /nfs/dbraw/zinc/92/19/50/544921950.db2.gz QRZZMLAQNMBMJH-YNEHKIRRSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC000252087108 544928597 /nfs/dbraw/zinc/92/85/97/544928597.db2.gz GQJWKDCJRLGSNV-YVECIDJPSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@@H](C(N)=O)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305069 278217784 /nfs/dbraw/zinc/21/77/84/278217784.db2.gz CGWKHCIUZFUMJK-XQQFMLRXSA-N 2 0 283.416 0.681 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000335285042 279293871 /nfs/dbraw/zinc/29/38/71/279293871.db2.gz HZNXJSRMPNMECX-GFCCVEGCSA-N 2 0 254.378 0.476 10 0 CCAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000334938288 289393187 /nfs/dbraw/zinc/39/31/87/289393187.db2.gz RJFROVBMVGYKCB-RYUDHWBXSA-N 2 0 268.405 0.863 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000333658649 290152253 /nfs/dbraw/zinc/15/22/53/290152253.db2.gz LEMSJNUYKULFTM-AAVRWANBSA-N 2 0 280.416 0.992 10 0 CCAERP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)C12CCC2 ZINC000262074367 294034802 /nfs/dbraw/zinc/03/48/02/294034802.db2.gz CWVLZJATRCYWSA-NAWOPXAZSA-N 2 0 254.374 0.360 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000389540351 545086797 /nfs/dbraw/zinc/08/67/97/545086797.db2.gz FQMBZDPBAPSPLH-RWMBFGLXSA-N 2 0 253.390 0.962 10 0 CCAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCC3CC[NH2+]CC3)C[C@H]12 ZINC000184989634 303473742 /nfs/dbraw/zinc/47/37/42/303473742.db2.gz HEVMVFGKZRMLHX-MELADBBJSA-N 2 0 265.401 0.962 10 0 CCAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000334186288 303489497 /nfs/dbraw/zinc/48/94/97/303489497.db2.gz FIUFCTNZRZKKAW-RYUDHWBXSA-N 2 0 251.374 0.716 10 0 CCAERP CC[N@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000381166827 327134683 /nfs/dbraw/zinc/13/46/83/327134683.db2.gz URDKFGCSLDCMCK-KGLIPLIRSA-N 2 0 255.406 0.469 10 0 CCAERP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000052395822 522438758 /nfs/dbraw/zinc/43/87/58/522438758.db2.gz FDQKFCQHZOSWGR-OCCSQVGLSA-N 2 0 261.369 0.985 10 0 CCAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371388 519955876 /nfs/dbraw/zinc/95/58/76/519955876.db2.gz UJEPSQAZRODQKI-LSDHHAIUSA-N 2 0 267.417 0.924 10 0 CCAERP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1C ZINC000157847712 524916501 /nfs/dbraw/zinc/91/65/01/524916501.db2.gz UIYFQJSWQRUVJT-QCNOEVLYSA-N 2 0 255.362 0.092 10 0 CCAERP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173913980 536503715 /nfs/dbraw/zinc/50/37/15/536503715.db2.gz GXQHAZDCHQYHBV-CYBMUJFWSA-N 2 0 286.420 0.300 10 0 CCAERP CC(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675079953 545321314 /nfs/dbraw/zinc/32/13/14/545321314.db2.gz KEIXPKXIUPDHLS-IGQOVBAYSA-N 2 0 256.390 0.893 10 0 CCAERP OCCC[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000310558903 625452221 /nfs/dbraw/zinc/45/22/21/625452221.db2.gz JFEJSPYRTYYCPG-ZIAGYGMSSA-N 2 0 256.390 0.680 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCCC[NH3+])C[C@@H]1C ZINC000167977101 636986715 /nfs/dbraw/zinc/98/67/15/636986715.db2.gz PERLGQYCWNBHCB-UONOGXRCSA-N 2 0 285.432 0.809 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@@H]2CCOC2=O)CC1 ZINC000120474407 645348024 /nfs/dbraw/zinc/34/80/24/645348024.db2.gz XCFDVAKFBLTFCY-DZGCQCFKSA-N 2 0 298.427 0.964 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252562415 649828729 /nfs/dbraw/zinc/82/87/29/649828729.db2.gz WWHAVNLGGVGYLV-XUXIUFHCSA-N 2 0 281.400 0.341 10 0 CCAERP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000091394526 349461321 /nfs/dbraw/zinc/46/13/21/349461321.db2.gz XUOPEIFTIRXGNC-OLZOCXBDSA-N 2 0 253.390 0.929 10 0 CCAERP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333681231 290693944 /nfs/dbraw/zinc/69/39/44/290693944.db2.gz OVXZEIKEXAAPMZ-RYUDHWBXSA-N 2 0 254.378 0.522 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000168249763 334955924 /nfs/dbraw/zinc/95/59/24/334955924.db2.gz AEPCAWYVALWLIU-UHFFFAOYSA-N 2 0 283.416 0.731 10 0 CCAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085370681 136794298 /nfs/dbraw/zinc/79/42/98/136794298.db2.gz TVTQFGWJZZAZNZ-STQMWFEESA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1C[NH2+]C1 ZINC000262469187 137044044 /nfs/dbraw/zinc/04/40/44/137044044.db2.gz YDSSFXSUSZAFHJ-MFKMUULPSA-N 2 0 271.430 0.395 10 0 CCAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262514044 137045716 /nfs/dbraw/zinc/04/57/16/137045716.db2.gz MPMLXSHHLWXKAM-OLZOCXBDSA-N 2 0 283.416 0.290 10 0 CCAERP C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000262265933 137033732 /nfs/dbraw/zinc/03/37/32/137033732.db2.gz RZGIYODULLFFBF-SWLSCSKDSA-N 2 0 273.380 0.985 10 0 CCAERP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)[N@H+](C)Cc1ccccc1 ZINC000262326887 137038502 /nfs/dbraw/zinc/03/85/02/137038502.db2.gz GFMPPVCXJWJXMN-BPLDGKMQSA-N 2 0 291.395 0.203 10 0 CCAERP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263291701 137063090 /nfs/dbraw/zinc/06/30/90/137063090.db2.gz VTHNFFWEUFNTQI-IACUBPJLSA-N 2 0 264.369 0.796 10 0 CCAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1C[NH2+]C1 ZINC000263335102 137064185 /nfs/dbraw/zinc/06/41/85/137064185.db2.gz WBMOKKDYILRGNE-HNNXBMFYSA-N 2 0 287.407 0.887 10 0 CCAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037825979 348211630 /nfs/dbraw/zinc/21/16/30/348211630.db2.gz RZHILAHYCAHBTR-GJZGRUSLSA-N 2 0 297.443 0.680 10 0 CCAERP CC(C)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290927 348548090 /nfs/dbraw/zinc/54/80/90/348548090.db2.gz WWXCEDNMJJBYHJ-CYBMUJFWSA-N 2 0 253.390 0.929 10 0 CCAERP CCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000252321424 535100857 /nfs/dbraw/zinc/10/08/57/535100857.db2.gz AOCFWYLDKQYKIZ-UONOGXRCSA-N 2 0 299.459 0.926 10 0 CCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261710659 535112619 /nfs/dbraw/zinc/11/26/19/535112619.db2.gz JFMGRSRKECWANO-QLFBSQMISA-N 2 0 297.443 0.834 10 0 CCAERP CCC[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+](C)C ZINC000161601937 350725949 /nfs/dbraw/zinc/72/59/49/350725949.db2.gz CIRHMZMVWHESSA-AWEZNQCLSA-N 2 0 285.432 0.945 10 0 CCAERP CCC[C@@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000162040011 350734351 /nfs/dbraw/zinc/73/43/51/350734351.db2.gz MABXRVASYIDMJP-KBPBESRZSA-N 2 0 284.448 0.469 10 0 CCAERP CCC[C@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000184077878 351401895 /nfs/dbraw/zinc/40/18/95/351401895.db2.gz PRSBHUGDQQAHDD-LSDHHAIUSA-N 2 0 298.475 0.859 10 0 CCAERP CC(C)[N@H+]1C[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C1 ZINC000188946174 351641669 /nfs/dbraw/zinc/64/16/69/351641669.db2.gz BYTYGGPIXKIORJ-YFKTTZPYSA-N 2 0 257.353 0.531 10 0 CCAERP C[N@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000188759922 351626446 /nfs/dbraw/zinc/62/64/46/351626446.db2.gz ZDVNAOBQHQYXNX-CMPLNLGQSA-N 2 0 257.353 0.677 10 0 CCAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000225554179 352009370 /nfs/dbraw/zinc/00/93/70/352009370.db2.gz RZHILAHYCAHBTR-HUUCEWRRSA-N 2 0 297.443 0.680 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247556678 352420592 /nfs/dbraw/zinc/42/05/92/352420592.db2.gz QXEUUDXHMFHPQE-KGLIPLIRSA-N 2 0 280.416 0.960 10 0 CCAERP CO[C@@H](C)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000248404623 352439424 /nfs/dbraw/zinc/43/94/24/352439424.db2.gz AGBKADCSIBFODF-HOTGVXAUSA-N 2 0 299.459 0.748 10 0 CCAERP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250633647 352507223 /nfs/dbraw/zinc/50/72/23/352507223.db2.gz RPDZOMYCTPPDOJ-OLZOCXBDSA-N 2 0 253.390 0.834 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000251833286 352511401 /nfs/dbraw/zinc/51/14/01/352511401.db2.gz PSNCRBOWNGNBOK-AVGNSLFASA-N 2 0 251.374 0.824 10 0 CCAERP CC[C@H](C)NC(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333768638 354790397 /nfs/dbraw/zinc/79/03/97/354790397.db2.gz DXYCYWVKCMERRG-MJBXVCDLSA-N 2 0 295.427 0.602 10 0 CCAERP C[C@@]1(C(=O)N2CC[NH+]3CCC2CC3)CCCC[NH2+]1 ZINC000335038173 354944925 /nfs/dbraw/zinc/94/49/25/354944925.db2.gz OJDVFBIAMJJANM-AWEZNQCLSA-N 2 0 251.374 0.825 10 0 CCAERP O=C(NC[C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335305575 354993197 /nfs/dbraw/zinc/99/31/97/354993197.db2.gz QSLATJVYJNDHOO-STQMWFEESA-N 2 0 266.389 0.476 10 0 CCAERP C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336819088 296008273 /nfs/dbraw/zinc/00/82/73/296008273.db2.gz YEVJILDILAUHSZ-KBPBESRZSA-N 2 0 266.389 0.708 10 0 CCAERP C[C@@H]1C[N@H+](CCn2nc3ccccn3c2=O)C[C@H]1C[NH3+] ZINC000631841656 370708233 /nfs/dbraw/zinc/70/82/33/370708233.db2.gz NMUJTXJRWBENQE-VXGBXAGGSA-N 2 0 275.356 0.023 10 0 CCAERP C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000400349053 296116718 /nfs/dbraw/zinc/11/67/18/296116718.db2.gz JCXIQFZPCLIUAV-CHWSQXEVSA-N 2 0 255.406 0.685 10 0 CCAERP C[NH+](C)C1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634770185 372218730 /nfs/dbraw/zinc/21/87/30/372218730.db2.gz BWDLLWPEROIIIF-WFASDCNBSA-N 2 0 265.401 0.929 10 0 CCAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000333350431 205242252 /nfs/dbraw/zinc/24/22/52/205242252.db2.gz AZWFADONFGGXQM-GVXVVHGQSA-N 2 0 291.399 0.449 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333366381 205257308 /nfs/dbraw/zinc/25/73/08/205257308.db2.gz LVCYTKOLOGNHCW-WZRBSPASSA-N 2 0 266.389 0.378 10 0 CCAERP [NH3+]C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000333637674 205533653 /nfs/dbraw/zinc/53/36/53/205533653.db2.gz HQFWTPDMJCPPLM-AEGPPILISA-N 2 0 288.395 0.732 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638528478 375118018 /nfs/dbraw/zinc/11/80/18/375118018.db2.gz INWMHLHRYVKGPT-OPRDCNLKSA-N 2 0 279.306 0.595 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973027 388940843 /nfs/dbraw/zinc/94/08/43/388940843.db2.gz UIJUINRWHQBTRJ-QWHCGFSZSA-N 2 0 251.374 0.683 10 0 CCAERP CCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000252321422 389263963 /nfs/dbraw/zinc/26/39/63/389263963.db2.gz AOCFWYLDKQYKIZ-KBPBESRZSA-N 2 0 299.459 0.926 10 0 CCAERP CC[C@H](O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161938054 389411642 /nfs/dbraw/zinc/41/16/42/389411642.db2.gz CFHSOVJCHIRUSE-CABCVRRESA-N 2 0 269.433 0.859 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)[N@H+]1CCO ZINC000333658666 389438619 /nfs/dbraw/zinc/43/86/19/389438619.db2.gz LESOSSDRDCIWRQ-HZSPNIEDSA-N 2 0 298.431 0.225 10 0 CCAERP CCc1nnc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)[nH]1 ZINC000181689763 389691471 /nfs/dbraw/zinc/69/14/71/389691471.db2.gz SNPAHBJZOCBCMF-LBPRGKRZSA-N 2 0 295.431 0.892 10 0 CCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649318492 390575277 /nfs/dbraw/zinc/57/52/77/390575277.db2.gz PCRILRMCOVZELK-VXGBXAGGSA-N 2 0 257.378 0.069 10 0 CCAERP Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CN2 ZINC000069327522 292022040 /nfs/dbraw/zinc/02/20/40/292022040.db2.gz VLOVPPYMCJRVGY-KBPBESRZSA-N 2 0 293.415 0.280 10 0 CCAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCO[C@@H](C)C2)CC1 ZINC000019441167 170802563 /nfs/dbraw/zinc/80/25/63/170802563.db2.gz QEKFZRXCFRJBJB-ZDUSSCGKSA-N 2 0 255.406 0.909 10 0 CCAERP CN1CC[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022152294 171359615 /nfs/dbraw/zinc/35/96/15/171359615.db2.gz HTODMBVWAGOXQD-UHFFFAOYSA-N 2 0 276.384 0.721 10 0 CCAERP [NH3+]Cc1cccc(NC(=O)CC[NH+]2CCC(O)CC2)c1 ZINC000022163106 171364881 /nfs/dbraw/zinc/36/48/81/171364881.db2.gz SABSWLHSCXLGFI-UHFFFAOYSA-N 2 0 277.368 0.931 10 0 CCAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112457 412223465 /nfs/dbraw/zinc/22/34/65/412223465.db2.gz ZEKFNUYPTVITPG-OPRDCNLKSA-N 2 0 279.306 0.595 10 0 CCAERP CC[NH+](CC)CCn1cc(NC(=O)CCC[NH3+])cn1 ZINC000037770715 173702753 /nfs/dbraw/zinc/70/27/53/173702753.db2.gz QDESCYJNRFFYTM-UHFFFAOYSA-N 2 0 267.377 0.902 10 0 CCAERP C[C@H](c1ccc(O)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030887 174023033 /nfs/dbraw/zinc/02/30/33/174023033.db2.gz UYDFXTBHBZKUFU-GFCCVEGCSA-N 2 0 277.368 0.817 10 0 CCAERP C[C@H](CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+](C)C ZINC000038089271 174102454 /nfs/dbraw/zinc/10/24/54/174102454.db2.gz OCLYQKMKVGAJDK-MROQNXINSA-N 2 0 253.390 0.973 10 0 CCAERP CC[NH2+]C[C@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258055 545879637 /nfs/dbraw/zinc/87/96/37/545879637.db2.gz DUAVFITWQLKRPW-VIFPVBQESA-N 2 0 251.334 0.212 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258226 545881566 /nfs/dbraw/zinc/88/15/66/545881566.db2.gz LLZYEQNSCRQDIP-VIFPVBQESA-N 2 0 269.374 0.046 10 0 CCAERP [NH3+]C[C@@H]1[C@@H](CNc2ccnn2C2C[NH2+]C2)C1(F)F ZINC000725259495 545882036 /nfs/dbraw/zinc/88/20/36/545882036.db2.gz CLURWRCPDIJPFB-RKDXNWHRSA-N 2 0 257.288 0.279 10 0 CCAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C[NH3+])C1 ZINC000261715739 287552555 /nfs/dbraw/zinc/55/25/55/287552555.db2.gz GNHZBLLXWRNWCU-FVCCEPFGSA-N 2 0 253.390 0.947 10 0 CCAERP COC[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173681866 277257589 /nfs/dbraw/zinc/25/75/89/277257589.db2.gz JQQRIQHJOARJGF-HOTGVXAUSA-N 2 0 299.459 0.748 10 0 CCAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175979515 277758831 /nfs/dbraw/zinc/75/88/31/277758831.db2.gz SGGIQISNAMMYAP-HUUCEWRRSA-N 2 0 297.443 0.942 10 0 CCAERP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)[C@@H]1CC[NH2+]C1 ZINC000333597897 278374075 /nfs/dbraw/zinc/37/40/75/278374075.db2.gz PYROOBDLGIEFJQ-OXHZDVMGSA-N 2 0 264.373 0.838 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188738917 279322527 /nfs/dbraw/zinc/32/25/27/279322527.db2.gz SETYIMONKLDBAW-JTQLQIEISA-N 2 0 277.372 0.270 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100245760 280273200 /nfs/dbraw/zinc/27/32/00/280273200.db2.gz YCWLULSIZCNEPM-DYEKYZERSA-N 2 0 253.390 0.947 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000388659911 545086450 /nfs/dbraw/zinc/08/64/50/545086450.db2.gz BDUJMFQRNVNPNZ-GJZGRUSLSA-N 2 0 269.433 0.858 10 0 CCAERP C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)C1CC[NH+](C)CC1 ZINC000392882550 545087585 /nfs/dbraw/zinc/08/75/85/545087585.db2.gz JFWOJCSGBDIGNB-LOWVWBTDSA-N 2 0 253.390 0.973 10 0 CCAERP CC[NH2+]Cc1cc(CN2CCC[N@H+](C)CC2)on1 ZINC000052424230 519988665 /nfs/dbraw/zinc/98/86/65/519988665.db2.gz HIFKVFVQTGREIQ-UHFFFAOYSA-N 2 0 252.362 0.922 10 0 CCAERP C[NH+](C)CCN1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000061643186 521766455 /nfs/dbraw/zinc/76/64/55/521766455.db2.gz RBTSDZLGRPPXAD-ZDUSSCGKSA-N 2 0 272.462 0.000 10 0 CCAERP CC[NH2+]CC(C)(C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653758 519911561 /nfs/dbraw/zinc/91/15/61/519911561.db2.gz BKRSALRJOQVAQS-UHFFFAOYSA-N 2 0 270.465 0.801 10 0 CCAERP CCC[NH2+]C[C@H](O)CN1CC[NH+](CC(C)C)CC1 ZINC000055078611 519933470 /nfs/dbraw/zinc/93/34/70/519933470.db2.gz AIGCJFFPBWUWIC-AWEZNQCLSA-N 2 0 257.422 0.621 10 0 CCAERP CCOCCOC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557137 519999752 /nfs/dbraw/zinc/99/97/52/519999752.db2.gz SQSKLSCJRUOEKP-CHWSQXEVSA-N 2 0 262.394 0.330 10 0 CCAERP CC[NH2+]Cc1cn(CC[NH+]2CCSCC2)nn1 ZINC000052425618 520012794 /nfs/dbraw/zinc/01/27/94/520012794.db2.gz AEWUGGVJZLYMCH-UHFFFAOYSA-N 2 0 255.391 0.436 10 0 CCAERP CC[NH2+][C@@H](CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061643797 520082255 /nfs/dbraw/zinc/08/22/55/520082255.db2.gz QCYHLOCSCKZBKL-AWEZNQCLSA-N 2 0 256.438 0.554 10 0 CCAERP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])CCOC)[NH+](C)C ZINC000052809792 521617388 /nfs/dbraw/zinc/61/73/88/521617388.db2.gz PARSDINHDHKNJQ-OLZOCXBDSA-N 2 0 273.421 0.833 10 0 CCAERP C[NH2+]Cc1cn(CC[N@H+](CCOC)C2CC2)nn1 ZINC000052542451 522142785 /nfs/dbraw/zinc/14/27/85/522142785.db2.gz ILBHIZGJRYQFTM-UHFFFAOYSA-N 2 0 253.350 0.108 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000061401434 523596417 /nfs/dbraw/zinc/59/64/17/523596417.db2.gz HAUHXUPPVQWKJJ-RWMBFGLXSA-N 2 0 271.405 0.444 10 0 CCAERP C[C@H](CN1CCOCC1)[NH2+]CCC[NH+]1CCCC1 ZINC000049504534 524358117 /nfs/dbraw/zinc/35/81/17/524358117.db2.gz KQTITWARUSLFJG-CQSZACIVSA-N 2 0 255.406 0.783 10 0 CCAERP C[C@@H]([NH3+])[C@@H](N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642419 525004969 /nfs/dbraw/zinc/00/49/69/525004969.db2.gz GRTSNEREEKBFJN-ZIAGYGMSSA-N 2 0 270.465 0.928 10 0 CCAERP NS(=O)(=O)CCC[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602399 527145587 /nfs/dbraw/zinc/14/55/87/527145587.db2.gz LYHGOUKGCJKOFS-FGWVZKOKSA-N 2 0 261.391 0.009 10 0 CCAERP C[NH+](C)CC(=O)NC[C@H]1[NH2+]CCOc2ccccc21 ZINC000675058085 545320638 /nfs/dbraw/zinc/32/06/38/545320638.db2.gz ROJWIOBZOJEQFZ-GFCCVEGCSA-N 2 0 263.341 0.388 10 0 CCAERP CCC[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675080013 545321266 /nfs/dbraw/zinc/32/12/66/545321266.db2.gz KUHGHDBMVAWLSP-FQUUOJAGSA-N 2 0 256.390 0.894 10 0 CCAERP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000261897475 535763973 /nfs/dbraw/zinc/76/39/73/535763973.db2.gz ABSOIHMGTDHPLV-KFWWJZLASA-N 2 0 291.395 0.376 10 0 CCAERP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261752844 536876867 /nfs/dbraw/zinc/87/68/67/536876867.db2.gz MWKYUDNSBCDQAJ-FRRDWIJNSA-N 2 0 269.389 0.198 10 0 CCAERP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1[NH+](C)C ZINC000310558879 623347640 /nfs/dbraw/zinc/34/76/40/623347640.db2.gz ISWMZHRJFCTZBK-RDBSUJKOSA-N 2 0 255.406 0.325 10 0 CCAERP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252862367 624481608 /nfs/dbraw/zinc/48/16/08/624481608.db2.gz NXZHFCSOJWHDCP-CRWXNKLISA-N 2 0 256.390 0.832 10 0 CCAERP COC[C@H](C)OC[C@@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226468807 636986068 /nfs/dbraw/zinc/98/60/68/636986068.db2.gz SORCNXLGEFBIRM-MJBXVCDLSA-N 2 0 274.405 0.473 10 0 CCAERP CCN1CCO[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000227236651 637014746 /nfs/dbraw/zinc/01/47/46/637014746.db2.gz BAFPJFRRUUGVOT-LBPRGKRZSA-N 2 0 254.378 0.764 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227411527 637025604 /nfs/dbraw/zinc/02/56/04/637025604.db2.gz IEEPUJQHIIYNCI-AVGNSLFASA-N 2 0 269.389 0.435 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000228540440 637062227 /nfs/dbraw/zinc/06/22/27/637062227.db2.gz NDSDUHPTUMWIQV-RAIGVLPGSA-N 2 0 251.374 0.809 10 0 CCAERP [NH3+][C@H](Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1)C1CC1 ZINC000252538528 649827995 /nfs/dbraw/zinc/82/79/95/649827995.db2.gz ARWGHQNVVUDUBZ-QJPTWQEYSA-N 2 0 278.356 0.885 10 0 CCAERP O=C(COC1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000113705046 349818619 /nfs/dbraw/zinc/81/86/19/349818619.db2.gz NQSIEOOCFRVXDH-LBPRGKRZSA-N 2 0 267.373 0.062 10 0 CCAERP COCCN1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000119523235 349939931 /nfs/dbraw/zinc/93/99/31/349939931.db2.gz DYXMQENAOHZVDG-HNNXBMFYSA-N 2 0 297.443 0.897 10 0 CCAERP C[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262332914 137038980 /nfs/dbraw/zinc/03/89/80/137038980.db2.gz GXLHOTBOAXFVTJ-SWHYSGLUSA-N 2 0 279.359 0.982 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000263261409 137062011 /nfs/dbraw/zinc/06/20/11/137062011.db2.gz RAUJIFFCUNFCLV-CZUORRHYSA-N 2 0 275.396 0.825 10 0 CCAERP C[C@H](CNC(=O)C1C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000263227261 137060789 /nfs/dbraw/zinc/06/07/89/137060789.db2.gz AHCUSYPJZWNFNS-GFCCVEGCSA-N 2 0 273.380 0.769 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000054307973 348549659 /nfs/dbraw/zinc/54/96/59/348549659.db2.gz TXLJWMOFVZQARW-CHWSQXEVSA-N 2 0 251.374 0.683 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111272866 186386024 /nfs/dbraw/zinc/38/60/24/186386024.db2.gz YMAFOSGHTXWEIQ-DGCLKSJQSA-N 2 0 253.390 0.642 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188942520 351641981 /nfs/dbraw/zinc/64/19/81/351641981.db2.gz VDNNEHWTHRNOSD-SDDRHHMPSA-N 2 0 259.369 0.779 10 0 CCAERP C[NH2+]CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189019144 351646831 /nfs/dbraw/zinc/64/68/31/351646831.db2.gz MIINRDOJXWWSHK-GXFFZTMASA-N 2 0 283.322 0.746 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(Cc3nccc(N)n3)CC[C@H]21 ZINC000246414226 352365899 /nfs/dbraw/zinc/36/58/99/352365899.db2.gz BSHTZEUBYGKVFG-VXGBXAGGSA-N 2 0 261.373 0.975 10 0 CCAERP COCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247475498 352415893 /nfs/dbraw/zinc/41/58/93/352415893.db2.gz ICJGBDQFUFNZQJ-ZDUSSCGKSA-N 2 0 284.404 0.054 10 0 CCAERP [NH3+][C@@H]1CC[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249103110 303470530 /nfs/dbraw/zinc/47/05/30/303470530.db2.gz KPNBWXARDIDUEJ-IJLUTSLNSA-N 2 0 251.374 0.857 10 0 CCAERP O=C(NC[C@H]1CCC[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000333781708 354793355 /nfs/dbraw/zinc/79/33/55/354793355.db2.gz DVBHTGSHUGSQKJ-CQSZACIVSA-N 2 0 280.416 0.912 10 0 CCAERP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335037017 354943695 /nfs/dbraw/zinc/94/36/95/354943695.db2.gz ZMLVXCUGBUMZNL-KGLIPLIRSA-N 2 0 265.401 0.927 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000333624665 283276833 /nfs/dbraw/zinc/27/68/33/283276833.db2.gz AJBAHCDOMDEQJE-QWRGUYRKSA-N 2 0 285.355 0.121 10 0 CCAERP O=C1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCN1 ZINC000396725161 357764345 /nfs/dbraw/zinc/76/43/45/357764345.db2.gz XYQPISMCNFSCNH-QWHCGFSZSA-N 2 0 269.389 0.092 10 0 CCAERP C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000409424066 358111710 /nfs/dbraw/zinc/11/17/10/358111710.db2.gz BDAGHGRDNSQBCH-JTQLQIEISA-N 2 0 257.403 0.373 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cc2ccccc2nn1 ZINC000616636973 365397221 /nfs/dbraw/zinc/39/72/21/365397221.db2.gz ZBSYOAGNSKIMHK-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333450625 205329974 /nfs/dbraw/zinc/32/99/74/205329974.db2.gz XMDIPXUWLKNPHT-BZPMIXESSA-N 2 0 280.416 0.910 10 0 CCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000333466041 205345483 /nfs/dbraw/zinc/34/54/83/205345483.db2.gz ZYDYMUCOPCJMEJ-CHWSQXEVSA-N 2 0 268.405 0.849 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638072037 374624548 /nfs/dbraw/zinc/62/45/48/374624548.db2.gz OLDVNCAQPQGXBP-JSGCOSHPSA-N 2 0 271.405 0.457 10 0 CCAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000638237343 374830575 /nfs/dbraw/zinc/83/05/75/374830575.db2.gz QWRVLDBSVNALCO-NWDGAFQWSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000247080837 285042565 /nfs/dbraw/zinc/04/25/65/285042565.db2.gz OWJJQEPWRUQMSI-RBSFLKMASA-N 3 0 269.433 0.906 10 0 CCAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000040770506 388854127 /nfs/dbraw/zinc/85/41/27/388854127.db2.gz LCSNEQWNHAWQAF-GJZGRUSLSA-N 2 0 296.459 0.374 10 0 CCAERP [NH2+]=C1Nc2nc3ccccc3n2[C@@]2(C[NH+]3CCC2CC3)N1 ZINC000072417414 388962626 /nfs/dbraw/zinc/96/26/26/388962626.db2.gz QMOGQTCMVWJIHI-OAHLLOKOSA-N 2 0 282.351 0.964 10 0 CCAERP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100245755 389071116 /nfs/dbraw/zinc/07/11/16/389071116.db2.gz YCWLULSIZCNEPM-BZPMIXESSA-N 2 0 253.390 0.947 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1([NH3+])CCCC1 ZINC000094459939 389040392 /nfs/dbraw/zinc/04/03/92/389040392.db2.gz PCFYPMWVUGBZBJ-NWDGAFQWSA-N 2 0 251.374 0.953 10 0 CCAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000151263746 389275936 /nfs/dbraw/zinc/27/59/36/389275936.db2.gz YTSCGLFXHRJYBJ-IHRRRGAJSA-N 2 0 256.390 0.848 10 0 CCAERP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000164418718 389434709 /nfs/dbraw/zinc/43/47/09/389434709.db2.gz LJGMMTLBUWEQHV-KBPBESRZSA-N 2 0 277.368 0.087 10 0 CCAERP C[NH+](C)C1(CNC(=O)[C@H]2C[NH2+]CCOC2)CCCCC1 ZINC000643618404 390473743 /nfs/dbraw/zinc/47/37/43/390473743.db2.gz NLTHBOAFFXSDTQ-ZDUSSCGKSA-N 2 0 283.416 0.603 10 0 CCAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643775494 390541036 /nfs/dbraw/zinc/54/10/36/390541036.db2.gz WSZKIMPAOAUMJI-STQMWFEESA-N 2 0 269.389 0.165 10 0 CCAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CCCC1 ZINC000649277578 390545388 /nfs/dbraw/zinc/54/53/88/390545388.db2.gz GLESVHNMNZUAEA-GFCCVEGCSA-N 2 0 269.389 0.213 10 0 CCAERP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000649333338 390590326 /nfs/dbraw/zinc/59/03/26/390590326.db2.gz NCXDJFBZWUAYCB-SCRDCRAPSA-N 2 0 269.389 0.354 10 0 CCAERP COC[C@@]1(C(=O)NCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000649282165 390548647 /nfs/dbraw/zinc/54/86/47/390548647.db2.gz KVSVCMZJLSJOIS-CQSZACIVSA-N 2 0 269.389 0.357 10 0 CCAERP COCCC1(C(=O)NC[C@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000649305985 390565590 /nfs/dbraw/zinc/56/55/90/390565590.db2.gz SFFOUGHUPNXDDN-LBPRGKRZSA-N 2 0 271.405 0.459 10 0 CCAERP C[C@H](CN1CCOCC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089471 390576163 /nfs/dbraw/zinc/57/61/63/390576163.db2.gz AHKIAWBOCARQMZ-MCIONIFRSA-N 2 0 255.406 0.685 10 0 CCAERP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000388642370 397508251 /nfs/dbraw/zinc/50/82/51/397508251.db2.gz YAUGTQWVZPKIKK-BFHYXJOUSA-N 2 0 265.401 0.914 10 0 CCAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)COCC[NH3+] ZINC000309731496 411745476 /nfs/dbraw/zinc/74/54/76/411745476.db2.gz PHCMFHGRLDDLRO-CYBMUJFWSA-N 2 0 279.384 0.598 10 0 CCAERP C[NH+](C)C1CN([C@H](C[NH3+])C(F)(F)C(F)(F)F)C1 ZINC000616570096 411840584 /nfs/dbraw/zinc/84/05/84/411840584.db2.gz PXMHVVXMBBHRSR-SSDOTTSWSA-N 2 0 261.238 0.757 10 0 CCAERP C[NH+](C)CCNS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000021507268 171308478 /nfs/dbraw/zinc/30/84/78/171308478.db2.gz DRAHFXXWKVETPL-UHFFFAOYSA-N 2 0 271.386 0.126 10 0 CCAERP C[NH2+]Cc1c(N2CC[NH+](C)CC2)nc2sccn12 ZINC000035429616 172197900 /nfs/dbraw/zinc/19/79/00/172197900.db2.gz YPTSSUVJTUUPPW-UHFFFAOYSA-N 2 0 265.386 0.867 10 0 CCAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc2C1 ZINC000038031133 174025367 /nfs/dbraw/zinc/02/53/67/174025367.db2.gz ZINPPMIBRCDYHG-MRXNPFEDSA-N 2 0 287.407 0.908 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264149 414702492 /nfs/dbraw/zinc/70/24/92/414702492.db2.gz RLQZXRCZYZTPQP-ZIAGYGMSSA-N 2 0 267.417 0.924 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662738728 414750614 /nfs/dbraw/zinc/75/06/14/414750614.db2.gz YIXFSTLARDNONW-LPWJVIDDSA-N 2 0 251.374 0.809 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662461068 414720237 /nfs/dbraw/zinc/72/02/37/414720237.db2.gz YWAZXMRVTQNVID-XQQFMLRXSA-N 2 0 251.374 0.681 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662845072 414836835 /nfs/dbraw/zinc/83/68/35/414836835.db2.gz DGUBDCPMYZFZPQ-OLZOCXBDSA-N 2 0 283.416 0.459 10 0 CCAERP Cn1c(C[NH3+])nnc1SCCC[NH+]1CCCC1 ZINC000071374183 176139415 /nfs/dbraw/zinc/13/94/15/176139415.db2.gz WJCDJGZAUPMHDJ-UHFFFAOYSA-N 2 0 255.391 0.852 10 0 CCAERP CC[NH+]1CCN([C@H](CC[NH3+])C[NH+]2CCCC2)CC1 ZINC000076658673 177047641 /nfs/dbraw/zinc/04/76/41/177047641.db2.gz BJJIOHSGOMOCIH-CQSZACIVSA-N 3 0 254.422 0.437 10 0 CCAERP CC[NH2+][C@H](C)CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257988 545880161 /nfs/dbraw/zinc/88/01/61/545880161.db2.gz CAHQGKZFCIHFKD-SECBINFHSA-N 2 0 251.334 0.354 10 0 CCAERP C[C@@H](CC[NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258206 545879688 /nfs/dbraw/zinc/87/96/88/545879688.db2.gz KPAAFXNKRANVBK-VIFPVBQESA-N 2 0 251.334 0.341 10 0 CCAERP [NH3+]C[C@H]1[C@@H](CNc2ccnn2C2C[NH2+]C2)C1(F)F ZINC000725259493 545881928 /nfs/dbraw/zinc/88/19/28/545881928.db2.gz CLURWRCPDIJPFB-DTWKUNHWSA-N 2 0 257.288 0.279 10 0 CCAERP COCC[NH+]1CCN([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264460 545884405 /nfs/dbraw/zinc/88/44/05/545884405.db2.gz PFUIALXAPKMLLD-UONOGXRCSA-N 2 0 283.416 0.147 10 0 CCAERP C[NH+](C)C[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1ccccc1 ZINC000098061581 544554390 /nfs/dbraw/zinc/55/43/90/544554390.db2.gz BONZJBTWLHDYOR-CQSZACIVSA-N 2 0 291.395 0.784 10 0 CCAERP C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000161226312 544704580 /nfs/dbraw/zinc/70/45/80/544704580.db2.gz KHQXOMREGJKQBB-AGIUHOORSA-N 2 0 253.390 0.975 10 0 CCAERP COC[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000159786205 277260811 /nfs/dbraw/zinc/26/08/11/277260811.db2.gz CPALNVFLQMUSTJ-LBPRGKRZSA-N 2 0 255.362 0.047 10 0 CCAERP CC1(C)CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1[NH3+] ZINC000334920397 281187174 /nfs/dbraw/zinc/18/71/74/281187174.db2.gz DWZVFXVNQVWFCZ-WCQYABFASA-N 2 0 280.416 0.992 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000251533869 288304159 /nfs/dbraw/zinc/30/41/59/288304159.db2.gz ALOZUOLBHBCHHU-NDBYEHHHSA-N 2 0 251.374 0.809 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCCC[NH3+])C[C@H]1C ZINC000246489824 290091347 /nfs/dbraw/zinc/09/13/47/290091347.db2.gz PERLGQYCWNBHCB-KGLIPLIRSA-N 2 0 285.432 0.809 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000245629718 290114002 /nfs/dbraw/zinc/11/40/02/290114002.db2.gz PTFOEAUUNXVBKC-ILXRZTDVSA-N 2 0 269.433 0.858 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@@H]12 ZINC000333653996 295320510 /nfs/dbraw/zinc/32/05/10/295320510.db2.gz KICUCNGFLVSIJA-FDYHWXHSSA-N 2 0 266.389 0.507 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333713373 303837357 /nfs/dbraw/zinc/83/73/57/303837357.db2.gz SPTUTACGDPGSPK-UTUOFQBUSA-N 2 0 252.362 0.132 10 0 CCAERP C[NH+]1CCN([C@@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959982 330384168 /nfs/dbraw/zinc/38/41/68/330384168.db2.gz NCMJAQJSNOPTFI-OLZOCXBDSA-N 2 0 283.416 0.554 10 0 CCAERP CC[NH2+]CC1(C[N@H+](CCO)C2CC2)CCOCC1 ZINC000052198047 519912858 /nfs/dbraw/zinc/91/28/58/519912858.db2.gz UDFCUAMDQSJXNU-UHFFFAOYSA-N 2 0 256.390 0.849 10 0 CCAERP CCC[NH2+]C[C@@H](C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061655000 519920006 /nfs/dbraw/zinc/92/00/06/519920006.db2.gz YLGYXNKREWZRFT-OAHLLOKOSA-N 2 0 270.465 0.801 10 0 CCAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)COC)nn1 ZINC000052511686 519961117 /nfs/dbraw/zinc/96/11/17/519961117.db2.gz OSCBAGZYYJDOPY-GFCCVEGCSA-N 2 0 269.393 0.744 10 0 CCAERP CC[NH2+][C@H](CCN1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000062523655 520188237 /nfs/dbraw/zinc/18/82/37/520188237.db2.gz FIBQGOFKQDZPCC-GFCCVEGCSA-N 2 0 270.421 0.256 10 0 CCAERP CCO[C@@H](C[NH3+])CC[N@H+](CC(N)=O)C1CCCC1 ZINC000062741123 520307498 /nfs/dbraw/zinc/30/74/98/520307498.db2.gz SBUGJZHEZSYNKV-GFCCVEGCSA-N 2 0 257.378 0.470 10 0 CCAERP C[NH2+]CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000049629958 522014564 /nfs/dbraw/zinc/01/45/64/522014564.db2.gz WWMUFGHRCOJQNK-LBPRGKRZSA-N 2 0 277.434 0.390 10 0 CCAERP CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049645803 519793840 /nfs/dbraw/zinc/79/38/40/519793840.db2.gz VTDXEQDJHDKMEG-GFCCVEGCSA-N 2 0 277.434 0.244 10 0 CCAERP CCC1(C[NH2+][C@@]2(C)CCS(=O)(=O)C2)CC[NH2+]CC1 ZINC000062851068 519843415 /nfs/dbraw/zinc/84/34/15/519843415.db2.gz MBULUQDGQRHOAN-LBPRGKRZSA-N 2 0 274.430 0.933 10 0 CCAERP CCC[NH2+]C[C@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061654989 519931576 /nfs/dbraw/zinc/93/15/76/519931576.db2.gz XOOJDMUDCBVUOU-HNNXBMFYSA-N 2 0 270.465 0.944 10 0 CCAERP CCC[NH2+]C[C@H]1CCN(CC[N@H+](C)CCOC)C1 ZINC000061379317 519935890 /nfs/dbraw/zinc/93/58/90/519935890.db2.gz GTULSOQDPKKPJI-CQSZACIVSA-N 2 0 257.422 0.886 10 0 CCAERP CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000616569671 545103083 /nfs/dbraw/zinc/10/30/83/545103083.db2.gz JLPYBCSNTVCVCM-AAEUAGOBSA-N 2 0 253.390 0.833 10 0 CCAERP C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051120148 524590723 /nfs/dbraw/zinc/59/07/23/524590723.db2.gz ZDQSQRZWZXFIGF-JTQLQIEISA-N 2 0 263.345 0.581 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1C ZINC000157847855 525260133 /nfs/dbraw/zinc/26/01/33/525260133.db2.gz UIYFQJSWQRUVJT-KXNHARMFSA-N 2 0 255.362 0.092 10 0 CCAERP CSCC[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643127 525527261 /nfs/dbraw/zinc/52/72/61/525527261.db2.gz UHKSQEZQKJEQLN-ZDUSSCGKSA-N 2 0 274.478 0.246 10 0 CCAERP COC(C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)OC ZINC000136761574 616314477 /nfs/dbraw/zinc/31/44/77/616314477.db2.gz YWFYYNBHGOMGNK-GFCCVEGCSA-N 2 0 274.405 0.630 10 0 CCAERP O[C@H](CN1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000311254039 623684295 /nfs/dbraw/zinc/68/42/95/623684295.db2.gz QEEVCZXMWCGOST-GJZGRUSLSA-N 2 0 267.417 0.613 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251582300 649812615 /nfs/dbraw/zinc/81/26/15/649812615.db2.gz CKSYNRSNVGOOPF-WOPDTQHZSA-N 2 0 255.362 0.045 10 0 CCAERP Cc1c(C[NH2+]CCCN2CC[NH+](C)CC2)cnn1C ZINC000093649295 349548463 /nfs/dbraw/zinc/54/84/63/349548463.db2.gz RNDAXKVAUHUVSL-UHFFFAOYSA-N 2 0 265.405 0.456 10 0 CCAERP CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845859 349724941 /nfs/dbraw/zinc/72/49/41/349724941.db2.gz SGYADYMDGGRTTR-AWEZNQCLSA-N 2 0 255.406 0.733 10 0 CCAERP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000117045943 349880634 /nfs/dbraw/zinc/88/06/34/349880634.db2.gz OGXVSHPBGKNLQB-JSGCOSHPSA-N 2 0 298.431 0.441 10 0 CCAERP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1C[NH2+]C1 ZINC000164286592 295731013 /nfs/dbraw/zinc/73/10/13/295731013.db2.gz CIKPAWFOBCLIAW-OCCSQVGLSA-N 2 0 265.401 0.929 10 0 CCAERP C(C1CCOCC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257737654 137005547 /nfs/dbraw/zinc/00/55/47/137005547.db2.gz SARAYJGHGWVYGE-AWEZNQCLSA-N 2 0 253.390 0.393 10 0 CCAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263121193 137058749 /nfs/dbraw/zinc/05/87/49/137058749.db2.gz AWZRXAQQEPZSHG-GYSYKLTISA-N 2 0 295.358 0.713 10 0 CCAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261824859 137021630 /nfs/dbraw/zinc/02/16/30/137021630.db2.gz PQINJKRRYWIRGP-WOPDTQHZSA-N 2 0 257.378 0.325 10 0 CCAERP C[C@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)[C@@H]1CCC[NH2+]C1 ZINC000263217855 137060558 /nfs/dbraw/zinc/06/05/58/137060558.db2.gz LFHMNXWMWUSUAQ-JHJVBQTASA-N 2 0 293.415 0.824 10 0 CCAERP C[NH+]1CCC(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054292195 348548109 /nfs/dbraw/zinc/54/81/09/348548109.db2.gz DUWLKHAITUEUBO-CYBMUJFWSA-N 2 0 253.390 0.834 10 0 CCAERP Cc1nn(C)c(C)c1[C@@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000053994321 348538171 /nfs/dbraw/zinc/53/81/71/348538171.db2.gz GYJZSWZWJIOUFO-GFCCVEGCSA-N 2 0 251.378 0.284 10 0 CCAERP CC[NH+]1CCC(CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000127896321 350180966 /nfs/dbraw/zinc/18/09/66/350180966.db2.gz CYFXSPRMAPOQKE-UHFFFAOYSA-N 2 0 269.389 0.342 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129786580 350222826 /nfs/dbraw/zinc/22/28/26/350222826.db2.gz CTDRXWMSLJUSBK-CYBMUJFWSA-N 2 0 282.432 0.223 10 0 CCAERP [NH3+]C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000159319423 350675745 /nfs/dbraw/zinc/67/57/45/350675745.db2.gz YIQVTAHGQAQMGT-ZIAGYGMSSA-N 2 0 259.353 0.727 10 0 CCAERP CCC[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000162040338 350734561 /nfs/dbraw/zinc/73/45/61/350734561.db2.gz MABXRVASYIDMJP-ZIAGYGMSSA-N 2 0 284.448 0.469 10 0 CCAERP C[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189019125 351646983 /nfs/dbraw/zinc/64/69/83/351646983.db2.gz MIINRDOJXWWSHK-MFKMUULPSA-N 2 0 283.322 0.746 10 0 CCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000189193178 351658047 /nfs/dbraw/zinc/65/80/47/351658047.db2.gz QIXCGLMHIFWMOB-QWHCGFSZSA-N 2 0 283.416 0.744 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227801983 352058668 /nfs/dbraw/zinc/05/86/68/352058668.db2.gz DNNIFKSZFODQCB-QWHCGFSZSA-N 2 0 269.389 0.295 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000251657126 352510724 /nfs/dbraw/zinc/51/07/24/352510724.db2.gz GRPYBGRGSYWEPZ-KGLIPLIRSA-N 2 0 294.443 0.365 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C[C@@H]1CC[NH+](C)C1 ZINC000311127641 354197810 /nfs/dbraw/zinc/19/78/10/354197810.db2.gz IMZQZOLZNUJDFY-ZIAGYGMSSA-N 2 0 257.422 0.571 10 0 CCAERP O=C(N[C@H]1CCC[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000333626706 354765845 /nfs/dbraw/zinc/76/58/45/354765845.db2.gz FWNNEUTVIBYBKV-AWEZNQCLSA-N 2 0 280.416 0.912 10 0 CCAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335038749 354944812 /nfs/dbraw/zinc/94/48/12/354944812.db2.gz SDAHWKCCCBVOEM-RYUDHWBXSA-N 2 0 251.374 0.811 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000335378296 354995194 /nfs/dbraw/zinc/99/51/94/354995194.db2.gz KWIFCWJMZGCRGW-RISCZKNCSA-N 2 0 278.400 0.617 10 0 CCAERP Cc1noc(CCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000567890451 358607166 /nfs/dbraw/zinc/60/71/66/358607166.db2.gz QKCRFSTXKRACOP-QJPTWQEYSA-N 2 0 250.346 0.980 10 0 CCAERP [NH3+]CCNC(=O)[C@@H]([NH3+])Cc1ccc2ccccc2c1 ZINC000584626828 359183493 /nfs/dbraw/zinc/18/34/93/359183493.db2.gz XUAKYHWPPOXLEA-AWEZNQCLSA-N 2 0 257.337 0.785 10 0 CCAERP CC(=O)Nc1cccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616634767 365393681 /nfs/dbraw/zinc/39/36/81/365393681.db2.gz XJBBAOUFLYXBOH-AWEZNQCLSA-N 2 0 262.357 0.550 10 0 CCAERP CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000616636748 365397804 /nfs/dbraw/zinc/39/78/04/365397804.db2.gz OAAYENPSPQUOEG-CQSZACIVSA-N 2 0 277.368 0.768 10 0 CCAERP O=C([C@H]1C[NH2+]CCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000043799798 296137174 /nfs/dbraw/zinc/13/71/74/296137174.db2.gz UXEYPDVVUVIWJU-CYBMUJFWSA-N 2 0 267.373 0.062 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765786 372212324 /nfs/dbraw/zinc/21/23/24/372212324.db2.gz DQXORCRQRDMPFA-YDHLFZDLSA-N 2 0 265.401 0.977 10 0 CCAERP C[N@@H+]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634770335 372219917 /nfs/dbraw/zinc/21/99/17/372219917.db2.gz HZRMGOHHXTTZIN-JSGCOSHPSA-N 2 0 251.374 0.540 10 0 CCAERP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000333358165 205250613 /nfs/dbraw/zinc/25/06/13/205250613.db2.gz KRTIULIMRXNWEZ-RYUDHWBXSA-N 2 0 268.405 0.910 10 0 CCAERP C[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH3+] ZINC000333941373 205852041 /nfs/dbraw/zinc/85/20/41/205852041.db2.gz OYSSEGFZSJZKOR-FZMZJTMJSA-N 2 0 280.416 0.849 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638107778 374674308 /nfs/dbraw/zinc/67/43/08/374674308.db2.gz GPXBOXRFRSUAOK-ZFWWWQNUSA-N 2 0 283.416 0.685 10 0 CCAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392933688 285206567 /nfs/dbraw/zinc/20/65/67/285206567.db2.gz LNEZQJBPLXMMSM-RNJOBUHISA-N 2 0 251.374 0.870 10 0 CCAERP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000334946781 285211930 /nfs/dbraw/zinc/21/19/30/285211930.db2.gz ZBLJCCPZHAGMBA-CYBMUJFWSA-N 2 0 268.405 0.866 10 0 CCAERP COc1cc2c[nH+]c(NN3CC[NH2+]CC3)nc2cc1OC ZINC000044563915 388871456 /nfs/dbraw/zinc/87/14/56/388871456.db2.gz VYOFIWXUHWOWQO-UHFFFAOYSA-N 2 0 289.339 0.879 10 0 CCAERP C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336819090 389024233 /nfs/dbraw/zinc/02/42/33/389024233.db2.gz YEVJILDILAUHSZ-UONOGXRCSA-N 2 0 266.389 0.708 10 0 CCAERP C[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306764434 389091090 /nfs/dbraw/zinc/09/10/90/389091090.db2.gz HFSCMCUTLURADX-NUEKZKHPSA-N 2 0 275.396 0.525 10 0 CCAERP CCC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000120616971 389143546 /nfs/dbraw/zinc/14/35/46/389143546.db2.gz YNQXQTMRDQFBSQ-WCQYABFASA-N 2 0 259.394 0.146 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCCC1 ZINC000226542948 389148693 /nfs/dbraw/zinc/14/86/93/389148693.db2.gz KHQXOMREGJKQBB-YNEHKIRRSA-N 2 0 253.390 0.975 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249103112 389252703 /nfs/dbraw/zinc/25/27/03/389252703.db2.gz KPNBWXARDIDUEJ-QJPTWQEYSA-N 2 0 251.374 0.857 10 0 CCAERP Cn1cncc1[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000333003829 389401445 /nfs/dbraw/zinc/40/14/45/389401445.db2.gz LDLZKOBZVNWOPB-SCRDCRAPSA-N 2 0 292.383 0.851 10 0 CCAERP CC[C@@H](O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161938181 389412290 /nfs/dbraw/zinc/41/22/90/389412290.db2.gz CFHSOVJCHIRUSE-HUUCEWRRSA-N 2 0 269.433 0.859 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCCO)CC1 ZINC000171631131 389478714 /nfs/dbraw/zinc/47/87/14/389478714.db2.gz WQNYVAQTHCJWSY-CYBMUJFWSA-N 2 0 258.406 0.784 10 0 CCAERP C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000333672164 389439867 /nfs/dbraw/zinc/43/98/67/389439867.db2.gz NHDZGXNMGAUABO-SRVKXCTJSA-N 2 0 254.378 0.520 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000333897364 389448552 /nfs/dbraw/zinc/44/85/52/389448552.db2.gz AZSFOBNXGIVBMB-SRVKXCTJSA-N 2 0 254.378 0.520 10 0 CCAERP CNC(=O)NC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000335448094 389565629 /nfs/dbraw/zinc/56/56/29/389565629.db2.gz MFHHTPYGQZPWGZ-NSHDSACASA-N 2 0 254.378 0.379 10 0 CCAERP CCc1nnc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)[nH]1 ZINC000181689742 389691167 /nfs/dbraw/zinc/69/11/67/389691167.db2.gz SNPAHBJZOCBCMF-GFCCVEGCSA-N 2 0 295.431 0.892 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000648152398 390314667 /nfs/dbraw/zinc/31/46/67/390314667.db2.gz YEVRUOPADLHZLM-VHSXEESVSA-N 2 0 261.316 0.394 10 0 CCAERP COC[C@@]1(C(=O)NCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000649281289 390548050 /nfs/dbraw/zinc/54/80/50/390548050.db2.gz YTBPZZQHPCCQMA-OAHLLOKOSA-N 2 0 283.416 0.747 10 0 CCAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000649286083 390551840 /nfs/dbraw/zinc/55/18/40/390551840.db2.gz ROUSBZYAZNPXRA-DZGCQCFKSA-N 2 0 283.416 0.698 10 0 CCAERP C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000649303325 390562426 /nfs/dbraw/zinc/56/24/26/390562426.db2.gz SZJPTRSSMHNHDS-KGLIPLIRSA-N 2 0 283.416 0.461 10 0 CCAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649303963 390564480 /nfs/dbraw/zinc/56/44/80/390564480.db2.gz VMHFSHCDALJUNK-VXGBXAGGSA-N 2 0 257.378 0.069 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649306053 390565123 /nfs/dbraw/zinc/56/51/23/390565123.db2.gz XTPBWWGYUCSHGV-JSGCOSHPSA-N 2 0 269.389 0.356 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649305626 390565413 /nfs/dbraw/zinc/56/54/13/390565413.db2.gz XTXDPJMSFIGAIX-CYBMUJFWSA-N 2 0 269.389 0.071 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112930 412225194 /nfs/dbraw/zinc/22/51/94/412225194.db2.gz NCISYAFIWBPLQV-HBNTYKKESA-N 2 0 293.333 0.985 10 0 CCAERP COCCN(CCC[NH+](C)C)C(=O)C1CC[NH2+]CC1 ZINC000037826770 173784046 /nfs/dbraw/zinc/78/40/46/173784046.db2.gz WNCSFXKBIUQXQD-UHFFFAOYSA-N 2 0 271.405 0.413 10 0 CCAERP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000038083212 174093063 /nfs/dbraw/zinc/09/30/63/174093063.db2.gz ZBQNOCWRKVDNBY-RYUDHWBXSA-N 2 0 274.430 0.741 10 0 CCAERP CN(Cc1csc(C[NH3+])n1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191805 176072240 /nfs/dbraw/zinc/07/22/40/176072240.db2.gz DOTJUPIITCRTMF-SNVBAGLBSA-N 2 0 254.403 0.985 10 0 CCAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261795517 287316558 /nfs/dbraw/zinc/31/65/58/287316558.db2.gz MGDDUVCNEFPSJB-NDBYEHHHSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000091667361 544527189 /nfs/dbraw/zinc/52/71/89/544527189.db2.gz ZVPSWZKIGLBJRU-JSGCOSHPSA-N 2 0 255.406 0.637 10 0 CCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333754010 545042812 /nfs/dbraw/zinc/04/28/12/545042812.db2.gz ALQGOQQGPXCHBL-OLZOCXBDSA-N 2 0 268.405 0.770 10 0 CCAERP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333832321 545043731 /nfs/dbraw/zinc/04/37/31/545043731.db2.gz MSMTWRQXKHBGOS-LBPRGKRZSA-N 2 0 268.405 0.770 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000333652447 545041271 /nfs/dbraw/zinc/04/12/71/545041271.db2.gz KAIFPVFJHZQVIL-XQQFMLRXSA-N 2 0 268.405 0.910 10 0 CCAERP CC1CCC([NH+]2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)CC1 ZINC000262484389 276190243 /nfs/dbraw/zinc/19/02/43/276190243.db2.gz YMMIUNXZZAIFJS-NEXFUWMNSA-N 2 0 295.427 0.432 10 0 CCAERP CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151111440 277230272 /nfs/dbraw/zinc/23/02/72/277230272.db2.gz TUGFTPNQBIQXTR-LBPRGKRZSA-N 2 0 262.357 0.870 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc[nH]2)CC1 ZINC000179516401 278395513 /nfs/dbraw/zinc/39/55/13/278395513.db2.gz WNZWIPOUYQPVAA-GFCCVEGCSA-N 2 0 266.389 0.934 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175368477 279309801 /nfs/dbraw/zinc/30/98/01/279309801.db2.gz MNGCFSDJPUZGKM-ZIAGYGMSSA-N 2 0 298.431 0.443 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000335284712 279318463 /nfs/dbraw/zinc/31/84/63/279318463.db2.gz AMJRTUMVCVDPFW-NEPJUHHUSA-N 2 0 254.378 0.603 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000389644759 545086665 /nfs/dbraw/zinc/08/66/65/545086665.db2.gz MDNFLYHRSNXGGB-RWMBFGLXSA-N 2 0 253.390 0.975 10 0 CCAERP C[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)C1C[NH2+]C1 ZINC000164497555 298049547 /nfs/dbraw/zinc/04/95/47/298049547.db2.gz TUPBOEGQJHBAPC-LBPRGKRZSA-N 2 0 265.401 0.929 10 0 CCAERP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000227140498 298190676 /nfs/dbraw/zinc/19/06/76/298190676.db2.gz DSRIHCLZHIFHTH-DRZSPHRISA-N 2 0 251.374 0.585 10 0 CCAERP CC[NH2+]C[C@H](C)C(=O)N(CCC[NH+](C)C)CCOC ZINC000061266101 519958728 /nfs/dbraw/zinc/95/87/28/519958728.db2.gz MCWMDCZKTPYNIG-ZDUSSCGKSA-N 2 0 273.421 0.659 10 0 CCAERP CCC[NH+]1CCN(Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061657852 519859038 /nfs/dbraw/zinc/85/90/38/519859038.db2.gz ZOMJDGSBIATLBC-UHFFFAOYSA-N 2 0 261.373 0.893 10 0 CCAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000061645153 521829378 /nfs/dbraw/zinc/82/93/78/521829378.db2.gz CXDVFTUEVODIAC-STQMWFEESA-N 2 0 253.390 0.929 10 0 CCAERP C[NH+](C)C[C@H]1CCCN1C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000061653002 521869742 /nfs/dbraw/zinc/86/97/42/521869742.db2.gz MDIUVDOREBUYTG-OCCSQVGLSA-N 2 0 268.405 0.008 10 0 CCAERP CC[C@@H](C)[NH+]1CCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000055072041 522124800 /nfs/dbraw/zinc/12/48/00/522124800.db2.gz GJAQNJTUDJMEGY-ZIAGYGMSSA-N 2 0 255.406 0.768 10 0 CCAERP CC[C@H]([NH2+]C)[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061643855 522557409 /nfs/dbraw/zinc/55/74/09/522557409.db2.gz VYSDONYXKMJSNO-KBPBESRZSA-N 2 0 256.438 0.552 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000049184830 525584168 /nfs/dbraw/zinc/58/41/68/525584168.db2.gz KOAUBYVJEJMYMH-QWRGUYRKSA-N 2 0 259.419 0.667 10 0 CCAERP [NH3+]Cc1ccc(OCCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000061710198 527255778 /nfs/dbraw/zinc/25/57/78/527255778.db2.gz HYHYIDIWWCRPJR-CYBMUJFWSA-N 2 0 250.342 0.981 10 0 CCAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000261897480 535763488 /nfs/dbraw/zinc/76/34/88/535763488.db2.gz ABSOIHMGTDHPLV-ZNMIVQPWSA-N 2 0 291.395 0.376 10 0 CCAERP C[NH+](C)CCCOc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263296039 535839218 /nfs/dbraw/zinc/83/92/18/535839218.db2.gz MJTCWYUSVWHZSB-UHFFFAOYSA-N 2 0 291.395 0.853 10 0 CCAERP OCC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000399016279 581207089 /nfs/dbraw/zinc/20/70/89/581207089.db2.gz DHLHUUZNZZXSCJ-CABCVRRESA-N 2 0 267.417 0.660 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CCOC ZINC000220940834 615130789 /nfs/dbraw/zinc/13/07/89/615130789.db2.gz IJUBGNROTYQVFB-NEPJUHHUSA-N 2 0 257.378 0.293 10 0 CCAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311240972 623684256 /nfs/dbraw/zinc/68/42/56/623684256.db2.gz ZEKHDMSVEJEQGJ-MCIONIFRSA-N 2 0 256.390 0.848 10 0 CCAERP CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000049645717 624491239 /nfs/dbraw/zinc/49/12/39/624491239.db2.gz IDWRWGFOJHKAPR-ZDUSSCGKSA-N 2 0 289.445 0.390 10 0 CCAERP [NH2+]=C(NC[C@H](O)C[NH+]1CCCCC1)NC1CCCC1 ZINC000171145559 637118344 /nfs/dbraw/zinc/11/83/44/637118344.db2.gz ZAVXPFUCMGLJLH-ZDUSSCGKSA-N 2 0 268.405 0.890 10 0 CCAERP C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000089745718 649663093 /nfs/dbraw/zinc/66/30/93/649663093.db2.gz MQBXXUSOUCVRCG-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668524 649709073 /nfs/dbraw/zinc/70/90/73/649709073.db2.gz WWHAVNLGGVGYLV-DGAVXFQQSA-N 2 0 281.400 0.341 10 0 CCAERP CC(C)OC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250583692 649776345 /nfs/dbraw/zinc/77/63/45/649776345.db2.gz LARZTTIVRWDAKU-QNMSZWNNSA-N 2 0 256.390 0.987 10 0 CCAERP C[N@@H+](Cc1ccncc1)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000097035373 649828285 /nfs/dbraw/zinc/82/82/85/649828285.db2.gz YDNZSWRSDLPTAV-HNNXBMFYSA-N 2 0 278.400 0.122 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252562414 649828862 /nfs/dbraw/zinc/82/88/62/649828862.db2.gz WWHAVNLGGVGYLV-FQUUOJAGSA-N 2 0 281.400 0.341 10 0 CCAERP CC[N@H+](CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CC1 ZINC000117043132 349880780 /nfs/dbraw/zinc/88/07/80/349880780.db2.gz JGMDEGOKQUVVJC-CQSZACIVSA-N 2 0 298.431 0.443 10 0 CCAERP C[NH+]1CCC(CCNC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000157228678 290709753 /nfs/dbraw/zinc/70/97/53/290709753.db2.gz WWQVLLAZPLOYNA-UHFFFAOYSA-N 2 0 296.459 0.518 10 0 CCAERP CCC[NH2+]CCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000261669675 137015102 /nfs/dbraw/zinc/01/51/02/137015102.db2.gz OZKFFFTZNGEMTR-CYBMUJFWSA-N 2 0 257.378 0.118 10 0 CCAERP CN1CCO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250372267 137001563 /nfs/dbraw/zinc/00/15/63/137001563.db2.gz JAJBDHWXQTWVNA-BFHYXJOUSA-N 2 0 253.390 0.533 10 0 CCAERP CCC[C@](C)([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262509905 137045414 /nfs/dbraw/zinc/04/54/14/137045414.db2.gz BAYZJZMYFIUVKU-ZFWWWQNUSA-N 2 0 285.432 0.857 10 0 CCAERP C[NH+](C)CCOc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263284419 137063157 /nfs/dbraw/zinc/06/31/57/137063157.db2.gz KIGAJWVZUXRKIP-UHFFFAOYSA-N 2 0 277.368 0.463 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000263304794 137063406 /nfs/dbraw/zinc/06/34/06/137063406.db2.gz XQGIXUDTJIIBOE-KGLIPLIRSA-N 2 0 257.337 0.905 10 0 CCAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000263347926 137064644 /nfs/dbraw/zinc/06/46/44/137064644.db2.gz ZSPYSXJOPPVTKZ-UHFFFAOYSA-N 2 0 273.380 0.770 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000040636603 348240093 /nfs/dbraw/zinc/24/00/93/348240093.db2.gz ZJGXRGVWVCARRQ-HUUCEWRRSA-N 2 0 295.427 0.698 10 0 CCAERP CCN(CC)CC[NH2+]CCN(C)CCC[NH+](C)C ZINC000104190108 185921707 /nfs/dbraw/zinc/92/17/07/185921707.db2.gz WOGNVTROKOPBNF-UHFFFAOYSA-N 2 0 258.454 0.801 10 0 CCAERP CCCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862070 186079400 /nfs/dbraw/zinc/07/94/00/186079400.db2.gz BJOPGMWRQYYEOV-ZDUSSCGKSA-N 2 0 285.432 0.537 10 0 CCAERP CC[C@@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)[NH+](C)C ZINC000151566582 350504414 /nfs/dbraw/zinc/50/44/14/350504414.db2.gz JJXBSCOZZYAKCZ-OLZOCXBDSA-N 2 0 269.389 0.306 10 0 CCAERP O=C(C[NH2+]CC1CC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747610 351244424 /nfs/dbraw/zinc/24/44/24/351244424.db2.gz YSQZTDMJKNAGRX-UHFFFAOYSA-N 2 0 251.374 0.683 10 0 CCAERP CC[N@H+](CC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000246374753 352363222 /nfs/dbraw/zinc/36/32/22/352363222.db2.gz YTPNSYJKNJAUJW-ZDUSSCGKSA-N 2 0 251.374 0.777 10 0 CCAERP CCCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000261953227 283021512 /nfs/dbraw/zinc/02/15/12/283021512.db2.gz HZDQQTUCNSODNU-JHJVBQTASA-N 2 0 253.390 0.962 10 0 CCAERP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCC[NH2+]C2)[N@H+](C)C1 ZINC000333824733 354800349 /nfs/dbraw/zinc/80/03/49/354800349.db2.gz LLPHWQVKPYDHHY-RDBSUJKOSA-N 2 0 298.431 0.489 10 0 CCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333836287 354803080 /nfs/dbraw/zinc/80/30/80/354803080.db2.gz UHOUIGVEOMYNRB-QWHCGFSZSA-N 2 0 280.416 0.912 10 0 CCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333836286 354803393 /nfs/dbraw/zinc/80/33/93/354803393.db2.gz UHOUIGVEOMYNRB-OLZOCXBDSA-N 2 0 280.416 0.912 10 0 CCAERP CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000334451381 354868629 /nfs/dbraw/zinc/86/86/29/354868629.db2.gz VRRIXMBVHABUSF-AWEZNQCLSA-N 2 0 280.416 0.960 10 0 CCAERP O=C1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CCN1 ZINC000396725160 357764282 /nfs/dbraw/zinc/76/42/82/357764282.db2.gz XYQPISMCNFSCNH-OLZOCXBDSA-N 2 0 269.389 0.092 10 0 CCAERP C[N@H+](CCO)C1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000408348133 358044753 /nfs/dbraw/zinc/04/47/53/358044753.db2.gz ZGOQKDGZZNAKFR-UHFFFAOYSA-N 2 0 298.431 0.179 10 0 CCAERP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1C[NH2+]C1 ZINC000335395115 291282593 /nfs/dbraw/zinc/28/25/93/291282593.db2.gz ITLIICPRGHGMAU-JQWIXIFHSA-N 2 0 252.362 0.226 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000335536808 212234755 /nfs/dbraw/zinc/23/47/55/212234755.db2.gz SGUVRCOTUPRVGL-JSGCOSHPSA-N 2 0 265.401 0.929 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638116312 374682204 /nfs/dbraw/zinc/68/22/04/374682204.db2.gz MDJKMNMISNWLIS-UMVBOHGHSA-N 2 0 281.400 0.437 10 0 CCAERP COC[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247475570 285205785 /nfs/dbraw/zinc/20/57/85/285205785.db2.gz JQQRIQHJOARJGF-HZPDHXFCSA-N 2 0 299.459 0.748 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000335285716 285265727 /nfs/dbraw/zinc/26/57/27/285265727.db2.gz RTXIUCTZSKTIBZ-NEPJUHHUSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000151290617 389277047 /nfs/dbraw/zinc/27/70/47/389277047.db2.gz PSOATKIHGQBJTJ-TZMCWYRMSA-N 2 0 266.389 0.918 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000333640650 389437884 /nfs/dbraw/zinc/43/78/84/389437884.db2.gz IDQVGDPIUYPUHT-GRYCIOLGSA-N 2 0 254.378 0.507 10 0 CCAERP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333733631 389441322 /nfs/dbraw/zinc/44/13/22/389441322.db2.gz WNRKPOVCJKKSHD-DGCLKSJQSA-N 2 0 268.405 0.897 10 0 CCAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399092377 389788129 /nfs/dbraw/zinc/78/81/29/389788129.db2.gz XBWUSQKRAHFUHC-XQLPTFJDSA-N 2 0 286.416 0.018 10 0 CCAERP O=C([C@H]1C[NH2+]CCOC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000649322273 390580013 /nfs/dbraw/zinc/58/00/13/390580013.db2.gz KQOSDKVNIAZNSQ-KBPBESRZSA-N 2 0 281.400 0.309 10 0 CCAERP CC(C)[NH+](CCNC(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000649276953 390544866 /nfs/dbraw/zinc/54/48/66/390544866.db2.gz VTFNBUINUZZPTB-ZDUSSCGKSA-N 2 0 271.405 0.457 10 0 CCAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643781799 390547648 /nfs/dbraw/zinc/54/76/48/390547648.db2.gz JZFZADNQGQSFKZ-AWEZNQCLSA-N 2 0 285.432 0.803 10 0 CCAERP COCCC1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000649298070 390557030 /nfs/dbraw/zinc/55/70/30/390557030.db2.gz NURPKSHZEWWALF-ZDUSSCGKSA-N 2 0 283.416 0.461 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649335094 390591674 /nfs/dbraw/zinc/59/16/74/390591674.db2.gz FCAOBZMWKXURKY-GRYCIOLGSA-N 2 0 287.354 0.926 10 0 CCAERP COC1(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC[NH2+]CC1 ZINC000377074463 292096842 /nfs/dbraw/zinc/09/68/42/292096842.db2.gz TYLKDXRJPPYLSE-CYBMUJFWSA-N 2 0 285.432 0.848 10 0 CCAERP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000388642371 397507123 /nfs/dbraw/zinc/50/71/23/397507123.db2.gz YAUGTQWVZPKIKK-MJBXVCDLSA-N 2 0 265.401 0.914 10 0 CCAERP C[C@@H]([NH3+])c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000020187798 171052614 /nfs/dbraw/zinc/05/26/14/171052614.db2.gz UVZAMOMZLNSUNE-SNVBAGLBSA-N 2 0 271.386 0.546 10 0 CCAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000020308973 171143692 /nfs/dbraw/zinc/14/36/92/171143692.db2.gz DYZHJPRUAVTTLC-QWRGUYRKSA-N 2 0 272.393 0.670 10 0 CCAERP CC[NH+](CC)CCNC(=O)COc1ccc(C[NH3+])cc1 ZINC000022164924 171365414 /nfs/dbraw/zinc/36/54/14/171365414.db2.gz MHPWVLWQLVDHIY-UHFFFAOYSA-N 2 0 279.384 0.982 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662738615 414750416 /nfs/dbraw/zinc/75/04/16/414750416.db2.gz YIXFSTLARDNONW-FDYHWXHSSA-N 2 0 251.374 0.809 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662461069 414720410 /nfs/dbraw/zinc/72/04/10/414720410.db2.gz YWAZXMRVTQNVID-YNEHKIRRSA-N 2 0 251.374 0.681 10 0 CCAERP C[NH+](C)C1CCN(S(=O)(=O)CCCC[NH3+])CC1 ZINC000042525365 174775343 /nfs/dbraw/zinc/77/53/43/174775343.db2.gz FZRYKSXFRDDMAG-UHFFFAOYSA-N 2 0 263.407 0.081 10 0 CCAERP O=C(CN1CCO[C@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043425526 175039907 /nfs/dbraw/zinc/03/99/07/175039907.db2.gz RFBGWMPAJRDUHV-STQMWFEESA-N 2 0 267.373 0.062 10 0 CCAERP CC[NH+]1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071188586 176063431 /nfs/dbraw/zinc/06/34/31/176063431.db2.gz MYOYCBOWPMQCOV-CQSZACIVSA-N 3 0 268.449 0.683 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262671 545882314 /nfs/dbraw/zinc/88/23/14/545882314.db2.gz KLNVOQCWCYHMFM-RKDXNWHRSA-N 2 0 267.295 0.676 10 0 CCAERP COCC[NH+]1CCN([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264461 545884323 /nfs/dbraw/zinc/88/43/23/545884323.db2.gz PFUIALXAPKMLLD-ZIAGYGMSSA-N 2 0 283.416 0.147 10 0 CCAERP C[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000333632958 287541269 /nfs/dbraw/zinc/54/12/69/287541269.db2.gz GXPCUXGXRNOVLR-UPJWGTAASA-N 2 0 268.405 0.755 10 0 CCAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000089746426 544517069 /nfs/dbraw/zinc/51/70/69/544517069.db2.gz ZNPCZPLHICWPJW-GJZGRUSLSA-N 2 0 296.459 0.374 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111247285 544562310 /nfs/dbraw/zinc/56/23/10/544562310.db2.gz SXFDPAGJRDFCPG-GXSJLCMTSA-N 2 0 279.306 0.691 10 0 CCAERP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161020392 544703976 /nfs/dbraw/zinc/70/39/76/544703976.db2.gz LJIDHPYUZIYNRB-QWHCGFSZSA-N 2 0 253.390 0.977 10 0 CCAERP CC[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246235080 544908977 /nfs/dbraw/zinc/90/89/77/544908977.db2.gz IFCAZEIARMIWAO-NWDGAFQWSA-N 2 0 271.405 0.417 10 0 CCAERP O[C@H]1C[NH2+]C[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000262094967 544939224 /nfs/dbraw/zinc/93/92/24/544939224.db2.gz HVCULPPTSYPBOZ-WBVHZDCISA-N 2 0 289.423 0.821 10 0 CCAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262099702 544939239 /nfs/dbraw/zinc/93/92/39/544939239.db2.gz IORYSMGYEIZNRL-SUNKGSAMSA-N 2 0 295.358 0.713 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)C2CC2)CC1 ZINC000105862691 278289329 /nfs/dbraw/zinc/28/93/29/278289329.db2.gz KWGHUSMPAIVGMD-ZDUSSCGKSA-N 2 0 297.443 0.632 10 0 CCAERP CC[NH+]1CCN(CC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261893114 279352699 /nfs/dbraw/zinc/35/26/99/279352699.db2.gz VLQRXBPUMYTPCA-ZIAGYGMSSA-N 2 0 282.432 0.210 10 0 CCAERP CC1(C)CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[C@H]1[NH3+] ZINC000335294346 281188656 /nfs/dbraw/zinc/18/86/56/281188656.db2.gz LDTOHAMIZSKADW-ZJUUUORDSA-N 2 0 290.358 0.752 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333482904 288855415 /nfs/dbraw/zinc/85/54/15/288855415.db2.gz CHHZNYYTPPPIKJ-QNWHQSFQSA-N 2 0 266.389 0.663 10 0 CCAERP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C1C[NH2+]C1 ZINC000262379360 289251852 /nfs/dbraw/zinc/25/18/52/289251852.db2.gz MUEJCRSWOJXPBU-NWDGAFQWSA-N 2 0 253.390 0.642 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333502948 297544661 /nfs/dbraw/zinc/54/46/61/297544661.db2.gz FNUODIZDWOJNOX-QWHCGFSZSA-N 2 0 280.416 0.912 10 0 CCAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000334926581 297799553 /nfs/dbraw/zinc/79/95/53/297799553.db2.gz RGILFGOKJPQNKZ-GHMZBOCLSA-N 2 0 254.378 0.779 10 0 CCAERP C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1[NH3+] ZINC000333542651 300139140 /nfs/dbraw/zinc/13/91/40/300139140.db2.gz JLHPHIRMORZFGD-APYLGABCSA-N 2 0 280.416 0.990 10 0 CCAERP O=C(C1CC[NH2+]CC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186506116 303559760 /nfs/dbraw/zinc/55/97/60/303559760.db2.gz SFJHKIYASHRMFG-GFCCVEGCSA-N 2 0 251.374 0.729 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000576827160 335252895 /nfs/dbraw/zinc/25/28/95/335252895.db2.gz WBFSDEANNMMFLP-JHJVBQTASA-N 2 0 253.390 0.642 10 0 CCAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371390 519954164 /nfs/dbraw/zinc/95/41/64/519954164.db2.gz UJEPSQAZRODQKI-GJZGRUSLSA-N 2 0 267.417 0.924 10 0 CCAERP CC(C)[NH2+]CCS(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000049640705 519722234 /nfs/dbraw/zinc/72/22/34/519722234.db2.gz AXFAYPMKXLBZFL-UHFFFAOYSA-N 2 0 279.450 0.492 10 0 CCAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055077017 519728163 /nfs/dbraw/zinc/72/81/63/519728163.db2.gz SBKNYDVXDMBAQJ-CQSZACIVSA-N 2 0 265.405 0.694 10 0 CCAERP CCC[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052422009 519858712 /nfs/dbraw/zinc/85/87/12/519858712.db2.gz RBQLVLNPMOHUEG-KBPBESRZSA-N 2 0 255.406 0.781 10 0 CCAERP CCC[NH2+][C@H](CN1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000055070538 520083292 /nfs/dbraw/zinc/08/32/92/520083292.db2.gz CPXZPZUFZJFRBR-QWHCGFSZSA-N 2 0 270.421 0.256 10 0 CCAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)Cn1ccnc1 ZINC000049235176 520737286 /nfs/dbraw/zinc/73/72/86/520737286.db2.gz DKAMZQRLXAZFJE-QWHCGFSZSA-N 2 0 254.378 0.564 10 0 CCAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000061645155 521833065 /nfs/dbraw/zinc/83/30/65/521833065.db2.gz CXDVFTUEVODIAC-OLZOCXBDSA-N 2 0 253.390 0.929 10 0 CCAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000157216510 523760321 /nfs/dbraw/zinc/76/03/21/523760321.db2.gz IZMAHTJVETYLQK-QWHCGFSZSA-N 2 0 253.390 0.962 10 0 CCAERP C[NH+](C)C1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000049643790 524040903 /nfs/dbraw/zinc/04/09/03/524040903.db2.gz DSTNKFCTCFZICT-LLVKDONJSA-N 2 0 275.418 0.094 10 0 CCAERP C[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055126712 524265221 /nfs/dbraw/zinc/26/52/21/524265221.db2.gz PEWCIPVKIAKFHO-RAIGVLPGSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055126710 524346605 /nfs/dbraw/zinc/34/66/05/524346605.db2.gz PEWCIPVKIAKFHO-KGYLQXTDSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@H]([NH3+])c1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655507 524868028 /nfs/dbraw/zinc/86/80/28/524868028.db2.gz MQBLCMAHNGOHIM-NSHDSACASA-N 2 0 283.445 0.846 10 0 CCAERP CN1CCO[C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000104779725 349718021 /nfs/dbraw/zinc/71/80/21/349718021.db2.gz NRQFGMAECJHWOT-CQSZACIVSA-N 2 0 296.415 0.243 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758128 349776553 /nfs/dbraw/zinc/77/65/53/349776553.db2.gz YUDZNTRZNGWMPN-LBPRGKRZSA-N 2 0 269.389 0.356 10 0 CCAERP C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1C[NH2+]C1 ZINC000262469185 137044270 /nfs/dbraw/zinc/04/42/70/137044270.db2.gz YDSSFXSUSZAFHJ-GWCFXTLKSA-N 2 0 271.430 0.395 10 0 CCAERP CCC[C@](C)([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000262509903 137045225 /nfs/dbraw/zinc/04/52/25/137045225.db2.gz BAYZJZMYFIUVKU-HIFRSBDPSA-N 2 0 285.432 0.857 10 0 CCAERP Cn1cnc2cc(CNC[C@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263180977 137059547 /nfs/dbraw/zinc/05/95/47/137059547.db2.gz GUJDTVZKXCUACW-SMDDNHRTSA-N 2 0 260.341 0.243 10 0 CCAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261767130 137019012 /nfs/dbraw/zinc/01/90/12/137019012.db2.gz KCPHBGWUGYNNPV-BFHYXJOUSA-N 2 0 282.432 0.114 10 0 CCAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000344120339 137178612 /nfs/dbraw/zinc/17/86/12/137178612.db2.gz ZLEMBLPWFCSYTI-UPJWGTAASA-N 2 0 268.401 0.846 10 0 CCAERP C[NH+](C)[C@@H](CNC(=O)C1C[NH2+]C1)c1cccs1 ZINC000091409316 180148302 /nfs/dbraw/zinc/14/83/02/180148302.db2.gz MEAFWPKKBZFJSV-JTQLQIEISA-N 2 0 253.371 0.686 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000223927083 351992677 /nfs/dbraw/zinc/99/26/77/351992677.db2.gz OPOKBABQUHXAML-JHJVBQTASA-N 2 0 251.374 0.539 10 0 CCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000247372757 352411062 /nfs/dbraw/zinc/41/10/62/352411062.db2.gz FHDWJOWTKBNHJS-UKRRQHHQSA-N 2 0 292.427 0.960 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)C(F)(F)F)CC1 ZINC000248584317 352447048 /nfs/dbraw/zinc/44/70/48/352447048.db2.gz PNRFODHIORXHFT-ZYHUDNBSSA-N 2 0 298.349 0.934 10 0 CCAERP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCCC[NH2+]C2)[N@H+](C)C1 ZINC000333824732 354800552 /nfs/dbraw/zinc/80/05/52/354800552.db2.gz LLPHWQVKPYDHHY-IHRRRGAJSA-N 2 0 298.431 0.489 10 0 CCAERP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842467 370707689 /nfs/dbraw/zinc/70/76/89/370707689.db2.gz ATQSNXITYAZSCX-KOLCDFICSA-N 2 0 255.387 0.745 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634763109 372211262 /nfs/dbraw/zinc/21/12/62/372211262.db2.gz OBKXWMLLMJCGOU-WFASDCNBSA-N 2 0 265.401 0.977 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765708 372212981 /nfs/dbraw/zinc/21/29/81/372212981.db2.gz AHSOZGRDWPVJDC-SCRDCRAPSA-N 2 0 251.374 0.587 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188774783 388941052 /nfs/dbraw/zinc/94/10/52/388941052.db2.gz HVQJOFQRNMJRGH-WDEREUQCSA-N 2 0 289.383 0.364 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000262163370 285330658 /nfs/dbraw/zinc/33/06/58/285330658.db2.gz TVCLMTHHYBRRBI-OOCWMUITSA-N 2 0 274.455 0.536 10 0 CCAERP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000095088016 389041827 /nfs/dbraw/zinc/04/18/27/389041827.db2.gz XUXCIOSNEHZUNR-GFCCVEGCSA-N 2 0 253.390 0.914 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000226694715 389148584 /nfs/dbraw/zinc/14/85/84/389148584.db2.gz QYGLJIVLERTQJO-YNEHKIRRSA-N 2 0 269.389 0.210 10 0 CCAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2C[NH2+]C2)C1 ZINC000263307792 389299868 /nfs/dbraw/zinc/29/98/68/389299868.db2.gz OSKNBSLVAYATJT-VXGBXAGGSA-N 2 0 253.390 0.690 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000332861409 389382896 /nfs/dbraw/zinc/38/28/96/389382896.db2.gz FTZKQHUHQOCZBW-MELADBBJSA-N 2 0 298.431 0.177 10 0 CCAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1C[NH3+] ZINC000333544221 389421396 /nfs/dbraw/zinc/42/13/96/389421396.db2.gz JOYFJYLHJGSEBW-FDYHWXHSSA-N 2 0 253.390 0.818 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333938886 389450684 /nfs/dbraw/zinc/45/06/84/389450684.db2.gz MWEFUTCVLURYAO-UMSGYPCISA-N 2 0 266.389 0.459 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000335028459 389531244 /nfs/dbraw/zinc/53/12/44/389531244.db2.gz LCTWCHLCSIYPQN-WPGIIJABSA-N 2 0 250.386 0.981 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000335284257 389544333 /nfs/dbraw/zinc/54/43/33/389544333.db2.gz FBUOHTHQUKYIQC-PWSUYJOCSA-N 2 0 252.362 0.084 10 0 CCAERP CC(C)[N@H+](C)CC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181411979 389685215 /nfs/dbraw/zinc/68/52/15/389685215.db2.gz KWPDMYQPVIORTL-CYBMUJFWSA-N 2 0 279.388 0.233 10 0 CCAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649276643 390544584 /nfs/dbraw/zinc/54/45/84/390544584.db2.gz VHWXCBAZTWGUHS-KGLIPLIRSA-N 2 0 285.432 0.849 10 0 CCAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649278786 390545811 /nfs/dbraw/zinc/54/58/11/390545811.db2.gz BTJYMTZQKNIWHJ-CYBMUJFWSA-N 2 0 269.389 0.023 10 0 CCAERP COC[C@]1(C(=O)NCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000649293344 390554279 /nfs/dbraw/zinc/55/42/79/390554279.db2.gz NKVCKQCGQIUFIS-HNNXBMFYSA-N 2 0 283.416 0.603 10 0 CCAERP COC[C@@]1(C(=O)N2CCC(C[NH+](C)C)CC2)CCC[NH2+]1 ZINC000649294459 390555962 /nfs/dbraw/zinc/55/59/62/390555962.db2.gz WNMMKFYHOARWRU-OAHLLOKOSA-N 2 0 283.416 0.555 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649335295 390591365 /nfs/dbraw/zinc/59/13/65/390591365.db2.gz QIKBVGDJHMDERL-WOPDTQHZSA-N 2 0 251.374 0.680 10 0 CCAERP COC[C@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000649308526 390568358 /nfs/dbraw/zinc/56/83/58/390568358.db2.gz MKOQMVQAGVZRSF-AAEUAGOBSA-N 2 0 257.378 0.211 10 0 CCAERP COCCN(C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000386231793 397501114 /nfs/dbraw/zinc/50/11/14/397501114.db2.gz PZCVJCBHJYWHBU-XQQFMLRXSA-N 2 0 260.378 0.083 10 0 CCAERP COCCN(C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000386231791 397501645 /nfs/dbraw/zinc/50/16/45/397501645.db2.gz PZCVJCBHJYWHBU-JHJVBQTASA-N 2 0 260.378 0.083 10 0 CCAERP Cn1cc([C@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)cn1 ZINC000311639948 411750128 /nfs/dbraw/zinc/75/01/28/411750128.db2.gz KTQSDVJSPPSBJT-CQSZACIVSA-N 2 0 263.389 0.462 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022211667 171374121 /nfs/dbraw/zinc/37/41/21/171374121.db2.gz ULQMCTSHSUDSBF-UHFFFAOYSA-N 2 0 285.413 0.765 10 0 CCAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653112679 412223819 /nfs/dbraw/zinc/22/38/19/412223819.db2.gz GSIQBYBIWIYHOK-JMJZKYOTSA-N 2 0 291.317 0.737 10 0 CCAERP C[NH+](C)C1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653125646 412233802 /nfs/dbraw/zinc/23/38/02/412233802.db2.gz NHJRMZNEWFEWRR-GHMZBOCLSA-N 2 0 293.333 0.937 10 0 CCAERP C[NH+]1CCC(N(CCO)C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000037824899 173779784 /nfs/dbraw/zinc/77/97/84/173779784.db2.gz VDRLWJWRXZQGTQ-CYBMUJFWSA-N 2 0 269.389 0.044 10 0 CCAERP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cc2cncn2cn1 ZINC000039073353 174162638 /nfs/dbraw/zinc/16/26/38/174162638.db2.gz OIVBJQRGGRXZFB-FXPVBKGRSA-N 2 0 257.297 0.210 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000662911049 414885500 /nfs/dbraw/zinc/88/55/00/414885500.db2.gz QTSRXZURMTVLOG-JSGCOSHPSA-N 2 0 269.389 0.356 10 0 CCAERP FC1(F)C[NH2+]C[C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725259666 545881934 /nfs/dbraw/zinc/88/19/34/545881934.db2.gz GDMSLIBCVQATME-QMMMGPOBSA-N 2 0 257.288 0.294 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157793804 544685872 /nfs/dbraw/zinc/68/58/72/544685872.db2.gz LTTZUSAXSYSJKS-FDYHWXHSSA-N 2 0 251.374 0.585 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000252087104 544929091 /nfs/dbraw/zinc/92/90/91/544929091.db2.gz GQJWKDCJRLGSNV-LPWJVIDDSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262086835 544939443 /nfs/dbraw/zinc/93/94/43/544939443.db2.gz GEOQUYOUTRRJGL-OSMZGAPFSA-N 2 0 252.333 0.927 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000311020631 545011507 /nfs/dbraw/zinc/01/15/07/545011507.db2.gz LPIDAJFRYRQWPZ-KBPBESRZSA-N 2 0 258.406 0.924 10 0 CCAERP C[NH+]1CCC2(C[NH2+]C[C@@H]2C(=O)OCC2CC2)CC1 ZINC000211934544 289909779 /nfs/dbraw/zinc/90/97/79/289909779.db2.gz BRAXZUJNNWGUJC-GFCCVEGCSA-N 2 0 252.358 0.871 10 0 CCAERP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000261872315 277744312 /nfs/dbraw/zinc/74/43/12/277744312.db2.gz SLLWKNABXXQOEN-NRWUCQMLSA-N 2 0 251.374 0.572 10 0 CCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261767135 278191478 /nfs/dbraw/zinc/19/14/78/278191478.db2.gz KCPHBGWUGYNNPV-MGPQQGTHSA-N 2 0 282.432 0.114 10 0 CCAERP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000261897473 279045504 /nfs/dbraw/zinc/04/55/04/279045504.db2.gz ABSOIHMGTDHPLV-ILXRZTDVSA-N 2 0 291.395 0.376 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458276 279261826 /nfs/dbraw/zinc/26/18/26/279261826.db2.gz PEEXCWIGFLXXDM-DGCLKSJQSA-N 2 0 253.390 0.962 10 0 CCAERP CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[C@H]1[NH3+] ZINC000335294334 281182599 /nfs/dbraw/zinc/18/25/99/281182599.db2.gz LDTOHAMIZSKADW-NXEZZACHSA-N 2 0 290.358 0.752 10 0 CCAERP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1C[NH2+]C1 ZINC000164286706 289272827 /nfs/dbraw/zinc/27/28/27/289272827.db2.gz CIKPAWFOBCLIAW-GXTWGEPZSA-N 2 0 265.401 0.929 10 0 CCAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333652747 289791929 /nfs/dbraw/zinc/79/19/29/289791929.db2.gz KBPAZJOKYIHPCW-RWMBFGLXSA-N 2 0 268.405 0.897 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)[C@@H]2C1 ZINC000333817394 290152172 /nfs/dbraw/zinc/15/21/72/290152172.db2.gz KIFBYMJMGVFQRF-FRRDWIJNSA-N 2 0 266.389 0.459 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000389540348 545086674 /nfs/dbraw/zinc/08/66/74/545086674.db2.gz FQMBZDPBAPSPLH-AVGNSLFASA-N 2 0 253.390 0.962 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392816899 329018787 /nfs/dbraw/zinc/01/87/87/329018787.db2.gz MRXGOEZSUADRHK-CHWSQXEVSA-N 2 0 251.374 0.753 10 0 CCAERP CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H](N2CC[NH2+]CC2)C1 ZINC000536961310 330384468 /nfs/dbraw/zinc/38/44/68/330384468.db2.gz YZIPTYWWQUNRHL-RYUDHWBXSA-N 2 0 269.389 0.211 10 0 CCAERP CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)CCCC[NH3+] ZINC000049204904 519793645 /nfs/dbraw/zinc/79/36/45/519793645.db2.gz MHXMDXUAXPFSDP-LLVKDONJSA-N 2 0 265.423 0.231 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CCC[NH3+] ZINC000049558380 519776103 /nfs/dbraw/zinc/77/61/03/519776103.db2.gz GTIVTBJAXYBQOS-NSHDSACASA-N 2 0 265.423 0.231 10 0 CCAERP C[NH+](C)C[C@H]1CCCN1[C@]1(C[NH3+])CN2CCC1CC2 ZINC000061643000 521873611 /nfs/dbraw/zinc/87/36/11/521873611.db2.gz ZKHPDFQNFYDTAH-HUUCEWRRSA-N 2 0 266.433 0.436 10 0 CCAERP C[C@H]([NH3+])[C@@H](N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642418 524836226 /nfs/dbraw/zinc/83/62/26/524836226.db2.gz GRTSNEREEKBFJN-UONOGXRCSA-N 2 0 270.465 0.928 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049220940 525585942 /nfs/dbraw/zinc/58/59/42/525585942.db2.gz GTTINJJEAPMRDP-WDEREUQCSA-N 2 0 261.435 0.769 10 0 CCAERP O=C([C@H]1CCC[N@@H+]1[C@@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000061590667 526540569 /nfs/dbraw/zinc/54/05/69/526540569.db2.gz RAAYMDIRKDCIID-CHWSQXEVSA-N 2 0 283.441 0.778 10 0 CCAERP [NH3+]C1CCC([NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000055144256 527140552 /nfs/dbraw/zinc/14/05/52/527140552.db2.gz KEQIHUWLOWFEBT-UHFFFAOYSA-N 2 0 261.373 0.869 10 0 CCAERP Cc1nccn1CC[NH+]1CCN(CCC[NH3+])CC1 ZINC000049329595 527426146 /nfs/dbraw/zinc/42/61/46/527426146.db2.gz UOEDTHQKWWGBJW-UHFFFAOYSA-N 2 0 251.378 0.158 10 0 CCAERP [NH3+]C[C@]1([C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000669377313 545206022 /nfs/dbraw/zinc/20/60/22/545206022.db2.gz MGLYWXSENOHVKE-CVEARBPZSA-N 2 0 276.380 0.989 10 0 CCAERP OCC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000399016283 581207035 /nfs/dbraw/zinc/20/70/35/581207035.db2.gz DHLHUUZNZZXSCJ-LSDHHAIUSA-N 2 0 267.417 0.660 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900378407 614214478 /nfs/dbraw/zinc/21/44/78/614214478.db2.gz QUGJBPGQRAYGAF-IPYPFGDCSA-N 2 0 285.432 0.534 10 0 CCAERP Cc1cc(N)nc(N2CCO[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000892388734 623124022 /nfs/dbraw/zinc/12/40/22/623124022.db2.gz GBJCWUMSQUBYSU-SNVBAGLBSA-N 2 0 251.334 0.134 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668117 649708783 /nfs/dbraw/zinc/70/87/83/649708783.db2.gz JPEIBLIDBMJXNY-BFHYXJOUSA-N 2 0 281.400 0.356 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251687431 649815262 /nfs/dbraw/zinc/81/52/62/649815262.db2.gz IEEPUJQHIIYNCI-UPJWGTAASA-N 2 0 269.389 0.435 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544177 349466597 /nfs/dbraw/zinc/46/65/97/349466597.db2.gz DNNIFKSZFODQCB-OLZOCXBDSA-N 2 0 269.389 0.295 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111269955 349768680 /nfs/dbraw/zinc/76/86/80/349768680.db2.gz JXTQPIUXAGUSSM-CHWSQXEVSA-N 2 0 269.389 0.023 10 0 CCAERP C[C@H]1CCN(C(=O)CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000261661589 137014320 /nfs/dbraw/zinc/01/43/20/137014320.db2.gz CANCYATYCYJOLD-WCQYABFASA-N 2 0 253.390 0.962 10 0 CCAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262507878 137045169 /nfs/dbraw/zinc/04/51/69/137045169.db2.gz LPVBLPURLLFWBQ-HUUCEWRRSA-N 2 0 297.443 0.584 10 0 CCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000263283158 137062807 /nfs/dbraw/zinc/06/28/07/137062807.db2.gz UOJBZBFJTPDHDP-MXASKKJJSA-N 2 0 289.423 0.992 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054290999 348548144 /nfs/dbraw/zinc/54/81/44/348548144.db2.gz FYASOLXPIYQHIS-QWHCGFSZSA-N 2 0 253.390 0.834 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000062972146 348673534 /nfs/dbraw/zinc/67/35/34/348673534.db2.gz XIXUCJCUTCEKKV-OLZOCXBDSA-N 2 0 253.390 0.929 10 0 CCAERP C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000104211495 185933005 /nfs/dbraw/zinc/93/30/05/185933005.db2.gz DWENHCMZCBCBPN-AAEUAGOBSA-N 2 0 253.390 0.642 10 0 CCAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136206030 350418729 /nfs/dbraw/zinc/41/87/29/350418729.db2.gz VAEQQYPOUHDNFB-JSGCOSHPSA-N 2 0 253.390 0.977 10 0 CCAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000169285292 350837843 /nfs/dbraw/zinc/83/78/43/350837843.db2.gz UXNQOZROCJVART-KGLIPLIRSA-N 2 0 281.400 0.437 10 0 CCAERP COCC[NH+]1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000180993552 351298408 /nfs/dbraw/zinc/29/84/08/351298408.db2.gz SFHQUMLMUVUKMC-OAHLLOKOSA-N 2 0 283.416 0.746 10 0 CCAERP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CC[NH+](C)CC1 ZINC000192832298 351800167 /nfs/dbraw/zinc/80/01/67/351800167.db2.gz DYWFGWPGROSDCH-WZYMTQMTSA-N 3 0 280.460 0.837 10 0 CCAERP COc1c(C[NH2+]CCOCC[NH+](C)C)c(C)nn1C ZINC000230004663 352100187 /nfs/dbraw/zinc/10/01/87/352100187.db2.gz RZPIQWKCOQDBTI-UHFFFAOYSA-N 2 0 270.377 0.405 10 0 CCAERP CCN1CCN(C(=O)[C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247235831 352406358 /nfs/dbraw/zinc/40/63/58/352406358.db2.gz RSLHVEUQTRUGNQ-GJZGRUSLSA-N 2 0 294.443 0.319 10 0 CCAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000248955449 352469443 /nfs/dbraw/zinc/46/94/43/352469443.db2.gz BYTYGGPIXKIORJ-WRWGMCAJSA-N 2 0 257.353 0.531 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)O1 ZINC000262030058 352571264 /nfs/dbraw/zinc/57/12/64/352571264.db2.gz PIZGHCKOFYSUQR-MJBXVCDLSA-N 2 0 281.400 0.437 10 0 CCAERP [NH3+][C@H]1COC[C@H]1Nc1ccncc1Br ZINC000306498783 354175104 /nfs/dbraw/zinc/17/51/04/354175104.db2.gz GYWXDUKTJZJUSY-IONNQARKSA-N 2 0 258.119 0.982 10 0 CCAERP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333681229 354776105 /nfs/dbraw/zinc/77/61/05/354776105.db2.gz OVXZEIKEXAAPMZ-NEPJUHHUSA-N 2 0 254.378 0.522 10 0 CCAERP C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000333948737 354819389 /nfs/dbraw/zinc/81/93/89/354819389.db2.gz WPIQAUGDOSWJCW-RFGFWPKPSA-N 2 0 298.431 0.081 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C)CC2)C1 ZINC000334434282 354864510 /nfs/dbraw/zinc/86/45/10/354864510.db2.gz NMFBEPXDWXDGNC-LBPRGKRZSA-N 2 0 254.378 0.428 10 0 CCAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C[NH3+] ZINC000630094219 369953358 /nfs/dbraw/zinc/95/33/58/369953358.db2.gz RYVALQDWQPUFQG-OLZOCXBDSA-N 2 0 265.401 0.916 10 0 CCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333448661 205328865 /nfs/dbraw/zinc/32/88/65/205328865.db2.gz XEPZLRFOMHCFCD-QWHCGFSZSA-N 2 0 284.404 0.148 10 0 CCAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000638115841 374682607 /nfs/dbraw/zinc/68/26/07/374682607.db2.gz JPKFNDHOIYYTRK-XFMPKHEZSA-N 2 0 281.400 0.449 10 0 CCAERP CC(C)N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1=O ZINC000571055519 291787823 /nfs/dbraw/zinc/78/78/23/291787823.db2.gz LEXHFGCYVAMGRX-XQQFMLRXSA-N 2 0 253.390 0.973 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000335286177 208104892 /nfs/dbraw/zinc/10/48/92/208104892.db2.gz WNSZCEPBQCZODR-UKRRQHHQSA-N 2 0 280.416 0.866 10 0 CCAERP CC[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106386540 389092786 /nfs/dbraw/zinc/09/27/86/389092786.db2.gz JCLRFTQCRWNDAE-JKSUJKDBSA-N 2 0 299.459 0.484 10 0 CCAERP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC000305767991 389089213 /nfs/dbraw/zinc/08/92/13/389089213.db2.gz TYXXNECPYLTMOG-SWLSCSKDSA-N 2 0 295.427 0.432 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000311652275 389104508 /nfs/dbraw/zinc/10/45/08/389104508.db2.gz FASMYXHSYMOIQV-IACUBPJLSA-N 2 0 265.401 0.927 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000226688704 389148605 /nfs/dbraw/zinc/14/86/05/389148605.db2.gz LRISWWISVQRVAR-YNEHKIRRSA-N 2 0 269.389 0.354 10 0 CCAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000227794864 389151631 /nfs/dbraw/zinc/15/16/31/389151631.db2.gz WLGFTSIKFKFHSX-JHJVBQTASA-N 2 0 251.374 0.811 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCn2ccnc2)CC1 ZINC000161680945 389409095 /nfs/dbraw/zinc/40/90/95/389409095.db2.gz QFTSROUKHRRJOF-AWEZNQCLSA-N 3 0 280.416 0.908 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000334276500 389464860 /nfs/dbraw/zinc/46/48/60/389464860.db2.gz CQMJJVKWMOJXRY-LBPRGKRZSA-N 2 0 251.374 0.588 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000333544223 389421551 /nfs/dbraw/zinc/42/15/51/389421551.db2.gz JOYFJYLHJGSEBW-QNWHQSFQSA-N 2 0 253.390 0.818 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334171218 389458794 /nfs/dbraw/zinc/45/87/94/389458794.db2.gz BFIXEQSVWFBWMZ-NWDGAFQWSA-N 2 0 251.374 0.716 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000647971239 390235359 /nfs/dbraw/zinc/23/53/59/390235359.db2.gz ZQONXQGEKJVOPZ-KBPBESRZSA-N 2 0 257.422 0.571 10 0 CCAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000648153784 390315500 /nfs/dbraw/zinc/31/55/00/390315500.db2.gz NIOXRUGKFDDELQ-YPMHNXCESA-N 2 0 251.374 0.668 10 0 CCAERP COC[C@@]1(C(=O)NCC[N@H+](C)C2CCCC2)CCC[NH2+]1 ZINC000649323303 390581021 /nfs/dbraw/zinc/58/10/21/390581021.db2.gz UQENIQIOOYOHEX-OAHLLOKOSA-N 2 0 283.416 0.746 10 0 CCAERP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643774183 390540161 /nfs/dbraw/zinc/54/01/61/390540161.db2.gz PEWWQWBWYNTNMA-CYBMUJFWSA-N 2 0 283.416 0.555 10 0 CCAERP CC(C)C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000649285189 390550392 /nfs/dbraw/zinc/55/03/92/390550392.db2.gz SVMRLKUMKBLHAC-OLZOCXBDSA-N 2 0 271.405 0.315 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649298963 390558533 /nfs/dbraw/zinc/55/85/33/390558533.db2.gz OMDSBMIEGTUKHQ-CHWSQXEVSA-N 2 0 271.405 0.315 10 0 CCAERP COC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000649301342 390560129 /nfs/dbraw/zinc/56/01/29/390560129.db2.gz WBUUQZZHZDDWJK-HIFRSBDPSA-N 2 0 283.416 0.603 10 0 CCAERP COC[C@@]1(C(=O)N2CCC[C@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000649318376 390575969 /nfs/dbraw/zinc/57/59/69/390575969.db2.gz CRDATDGRWYHBMQ-GXTWGEPZSA-N 2 0 269.389 0.308 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000037643498 397384185 /nfs/dbraw/zinc/38/41/85/397384185.db2.gz YSLZYYYAZUBOKL-HIFPTAJRSA-N 2 0 253.390 0.962 10 0 CCAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1(C)C ZINC000249049490 286416039 /nfs/dbraw/zinc/41/60/39/286416039.db2.gz AOZDHBKINQGMOK-CQLYOCRWSA-N 2 0 295.427 0.715 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653105857 412219981 /nfs/dbraw/zinc/21/99/81/412219981.db2.gz MOEBLICQVRYWCT-GHMZBOCLSA-N 2 0 293.333 0.985 10 0 CCAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653347654 412292306 /nfs/dbraw/zinc/29/23/06/412292306.db2.gz JVHNVUCJVONAGR-GMTAPVOTSA-N 2 0 293.333 0.794 10 0 CCAERP C[NH+](C)CCNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679161 172349571 /nfs/dbraw/zinc/34/95/71/172349571.db2.gz FTDYZZOGRBHKNU-UHFFFAOYSA-N 2 0 277.415 0.089 10 0 CCAERP C[C@@H]([NH2+]CCN1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000037210159 173031451 /nfs/dbraw/zinc/03/14/51/173031451.db2.gz GJJFPUJLVVWQEG-KGLIPLIRSA-N 2 0 255.406 0.639 10 0 CCAERP C[NH2+]CCCC(=O)N(CCC[NH+](C)C)CCOC ZINC000037826814 173783818 /nfs/dbraw/zinc/78/38/18/173783818.db2.gz JZOCNQDSEGCZMI-UHFFFAOYSA-N 2 0 259.394 0.413 10 0 CCAERP COCCOCCOCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662267691 414703161 /nfs/dbraw/zinc/70/31/61/414703161.db2.gz XSTBUJWWEPKQCY-RRFJBIMHSA-N 2 0 286.416 0.725 10 0 CCAERP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH+](C)C ZINC000662278341 414704892 /nfs/dbraw/zinc/70/48/92/414704892.db2.gz FZFMIRZFZAUATH-JHJVBQTASA-N 2 0 253.390 0.389 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])C1CCOCC1 ZINC000071188398 176062787 /nfs/dbraw/zinc/06/27/87/176062787.db2.gz QKKXDFANVNXYLC-JSGCOSHPSA-N 2 0 255.406 0.624 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1(C[NH3+])CCOCC1 ZINC000071189084 176064316 /nfs/dbraw/zinc/06/43/16/176064316.db2.gz IDWIOQYQBSNPDQ-LBPRGKRZSA-N 2 0 269.389 0.152 10 0 CCAERP COCCC[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192320 176073525 /nfs/dbraw/zinc/07/35/25/176073525.db2.gz CFYONRVERCLXIX-UONOGXRCSA-N 2 0 257.422 0.885 10 0 CCAERP C[NH+](C)CC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262944 545883693 /nfs/dbraw/zinc/88/36/93/545883693.db2.gz VJXKWGAYGYZAJK-DTWKUNHWSA-N 2 0 267.295 0.595 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089461839 544514346 /nfs/dbraw/zinc/51/43/46/544514346.db2.gz KEULMXKAVVUUQI-VXGBXAGGSA-N 2 0 257.378 0.056 10 0 CCAERP C[NH2+]CCCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000178761279 277021580 /nfs/dbraw/zinc/02/15/80/277021580.db2.gz UGIRZUSRCXTEIR-AWEZNQCLSA-N 2 0 283.416 0.557 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000261662699 279655670 /nfs/dbraw/zinc/65/56/70/279655670.db2.gz FSPXQSFWMNRITI-ZNMIVQPWSA-N 2 0 295.427 0.827 10 0 CCAERP CC[C@@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247390484 280089016 /nfs/dbraw/zinc/08/90/16/280089016.db2.gz XBHBYXXOADRXCI-AAEUAGOBSA-N 2 0 271.405 0.275 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000116278155 290084766 /nfs/dbraw/zinc/08/47/66/290084766.db2.gz JDNHYBDYOJKKDM-GXTWGEPZSA-N 2 0 283.416 0.242 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000333652449 297544697 /nfs/dbraw/zinc/54/46/97/297544697.db2.gz KAIFPVFJHZQVIL-YNEHKIRRSA-N 2 0 268.405 0.910 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399095972 545089014 /nfs/dbraw/zinc/08/90/14/545089014.db2.gz SNQGOLSZUZOMQU-XQLPTFJDSA-N 2 0 270.417 0.780 10 0 CCAERP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)C1CC[NH+](C)CC1 ZINC000392882548 545087540 /nfs/dbraw/zinc/08/75/40/545087540.db2.gz JFWOJCSGBDIGNB-GMXVVIOVSA-N 2 0 253.390 0.973 10 0 CCAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000334926582 297715096 /nfs/dbraw/zinc/71/50/96/297715096.db2.gz RGILFGOKJPQNKZ-MNOVXSKESA-N 2 0 254.378 0.779 10 0 CCAERP C[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000333636536 300143275 /nfs/dbraw/zinc/14/32/75/300143275.db2.gz TXDCKSOSFFGOPF-WCQYABFASA-N 2 0 268.405 0.707 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049641501 520686177 /nfs/dbraw/zinc/68/61/77/520686177.db2.gz DUFWIEMPOWOOMK-LBPRGKRZSA-N 2 0 277.434 0.247 10 0 CCAERP CC(C)[NH2+]CCS(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000049641519 519721909 /nfs/dbraw/zinc/72/19/09/519721909.db2.gz UUDCVTGAUWVFKE-UHFFFAOYSA-N 2 0 277.434 0.340 10 0 CCAERP CCC[C@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC[NH2+]C1 ZINC000062972101 521298729 /nfs/dbraw/zinc/29/87/29/521298729.db2.gz INGDLYCDEBAXLA-OCCSQVGLSA-N 2 0 253.390 0.929 10 0 CCAERP CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCC[NH3+])C1 ZINC000049204341 521649545 /nfs/dbraw/zinc/64/95/45/521649545.db2.gz LIEWECXUJJCENG-NSHDSACASA-N 2 0 263.407 0.129 10 0 CCAERP C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055136282 525362377 /nfs/dbraw/zinc/36/23/77/525362377.db2.gz WCENWYOSIQNWPH-LPWJVIDDSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000055124325 525664277 /nfs/dbraw/zinc/66/42/77/525664277.db2.gz KIXWBZXPVKLDFZ-AVGNSLFASA-N 2 0 253.390 0.914 10 0 CCAERP NNc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc[nH+]1 ZINC000051096589 527273228 /nfs/dbraw/zinc/27/32/28/527273228.db2.gz ZHULFBZRCMRFMA-LLVKDONJSA-N 2 0 261.329 0.191 10 0 CCAERP O[C@H](C[NH2+]C1CC1)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675080851 545321311 /nfs/dbraw/zinc/32/13/11/545321311.db2.gz WTPNHWAUQMWICP-ZRJCITRHSA-N 2 0 254.374 0.647 10 0 CCAERP CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310912037 623592467 /nfs/dbraw/zinc/59/24/67/623592467.db2.gz DEEFNDCVRTVHDC-CRWXNKLISA-N 2 0 256.390 0.833 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCC[NH3+])C[C@H]1C ZINC000249092322 649740707 /nfs/dbraw/zinc/74/07/07/649740707.db2.gz WLLOQVZLVFHLJG-OLZOCXBDSA-N 2 0 271.405 0.419 10 0 CCAERP [NH3+]CCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188980214 136923282 /nfs/dbraw/zinc/92/32/82/136923282.db2.gz SGHRLLQZGDHDEJ-GWCFXTLKSA-N 2 0 283.322 0.875 10 0 CCAERP CN(C(=O)C1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261556748 137007906 /nfs/dbraw/zinc/00/79/06/137007906.db2.gz WGEVRLNYOJMUNN-OAHLLOKOSA-N 2 0 273.380 0.939 10 0 CCAERP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261708098 137016548 /nfs/dbraw/zinc/01/65/48/137016548.db2.gz FZYUVCXCYLOPDI-RBSFLKMASA-N 2 0 296.459 0.504 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000263272179 137062456 /nfs/dbraw/zinc/06/24/56/137062456.db2.gz SIGYDXDJLRNQPJ-NZEXEKPDSA-N 2 0 252.358 0.114 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000045135555 348334144 /nfs/dbraw/zinc/33/41/44/348334144.db2.gz SXKQPCKXDGCYRR-CYBMUJFWSA-N 2 0 283.416 0.588 10 0 CCAERP CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308320 348549556 /nfs/dbraw/zinc/54/95/56/348549556.db2.gz WYVOBHKHAYOADC-LBPRGKRZSA-N 2 0 253.390 0.977 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000125809892 350130324 /nfs/dbraw/zinc/13/03/24/350130324.db2.gz ZLVCFBQDSUEYTK-VXGBXAGGSA-N 2 0 269.389 0.354 10 0 CCAERP CC(C)[N@H+](C)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131280125 350270234 /nfs/dbraw/zinc/27/02/34/350270234.db2.gz CAJKJZFYVHDQMU-UHFFFAOYSA-N 2 0 270.421 0.127 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136201721 350417801 /nfs/dbraw/zinc/41/78/01/350417801.db2.gz NLRRQYODFOFEOF-OCCSQVGLSA-N 2 0 253.390 0.977 10 0 CCAERP COCC[NH2+]CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000092496118 180397488 /nfs/dbraw/zinc/39/74/88/180397488.db2.gz GFRUPAXNRGUEIG-UHFFFAOYSA-N 2 0 269.389 0.309 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000167515543 350811206 /nfs/dbraw/zinc/81/12/06/350811206.db2.gz TWKYXMIIAPCSGU-UPJWGTAASA-N 2 0 251.374 0.539 10 0 CCAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C1CC1 ZINC000171907341 350942929 /nfs/dbraw/zinc/94/29/29/350942929.db2.gz IRVKPXIJELSGGI-GXTWGEPZSA-N 2 0 280.416 0.959 10 0 CCAERP C[C@H]([NH3+])C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186571935 351503959 /nfs/dbraw/zinc/50/39/59/351503959.db2.gz LSJSUWXHQDFHJK-JSGCOSHPSA-N 2 0 276.384 0.900 10 0 CCAERP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CC[NH+](C)CC1 ZINC000192832288 351800020 /nfs/dbraw/zinc/80/00/20/351800020.db2.gz DYWFGWPGROSDCH-HNSVSWJLSA-N 3 0 280.460 0.837 10 0 CCAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@@H]([NH+](C)C)C2)C1(C)C ZINC000231677120 352132323 /nfs/dbraw/zinc/13/23/23/352132323.db2.gz NCYGGACAYMEIHQ-LALPHHSUSA-N 2 0 283.416 0.681 10 0 CCAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000333936511 354817840 /nfs/dbraw/zinc/81/78/40/354817840.db2.gz KNAAOEONPMEBCU-OLZOCXBDSA-N 2 0 268.405 0.851 10 0 CCAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000404962265 357822231 /nfs/dbraw/zinc/82/22/31/357822231.db2.gz QIYLCJFQHYBILR-STQMWFEESA-N 2 0 253.390 0.929 10 0 CCAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH3+] ZINC000630094220 369952940 /nfs/dbraw/zinc/95/29/40/369952940.db2.gz RYVALQDWQPUFQG-QWHCGFSZSA-N 2 0 265.401 0.916 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000333399241 205288401 /nfs/dbraw/zinc/28/84/01/205288401.db2.gz PSKCIDBPVRXEMO-IJLUTSLNSA-N 2 0 266.389 0.520 10 0 CCAERP COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC[NH2+]1 ZINC000638109201 374675501 /nfs/dbraw/zinc/67/55/01/374675501.db2.gz SKSXZGRMBAYPSD-DZGCQCFKSA-N 2 0 281.400 0.452 10 0 CCAERP COCCC1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000638728448 375324491 /nfs/dbraw/zinc/32/44/91/375324491.db2.gz RRXSSDQOZRFGLV-ZDUSSCGKSA-N 2 0 283.416 0.603 10 0 CCAERP C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000334949536 207342334 /nfs/dbraw/zinc/34/23/34/207342334.db2.gz UQRDUIZRJKTHGZ-RYUDHWBXSA-N 2 0 266.389 0.640 10 0 CCAERP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000246189524 285008591 /nfs/dbraw/zinc/00/85/91/285008591.db2.gz WDWWBALADAGTIP-STQMWFEESA-N 2 0 285.457 0.976 10 0 CCAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251830116 285149913 /nfs/dbraw/zinc/14/99/13/285149913.db2.gz PLVDYYUQKUDLMA-XQHKEYJVSA-N 2 0 251.374 0.680 10 0 CCAERP CCC[C@@H](C(=O)NCC[N@H+](CC)CCO)[NH+](C)C ZINC000183976089 388767013 /nfs/dbraw/zinc/76/70/13/388767013.db2.gz BHQVPTFWEDIGMD-LBPRGKRZSA-N 2 0 259.394 0.147 10 0 CCAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)C[C@@H]12 ZINC000184989883 388782136 /nfs/dbraw/zinc/78/21/36/388782136.db2.gz ORSQHNGXCNEBJU-RRFJBIMHSA-N 2 0 285.391 0.678 10 0 CCAERP CC(C)[NH2+]CCN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000193457813 389070085 /nfs/dbraw/zinc/07/00/85/389070085.db2.gz WWXTUCKJOZFFCN-KBPBESRZSA-N 2 0 255.406 0.637 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195132348 389116393 /nfs/dbraw/zinc/11/63/93/389116393.db2.gz JHIYMISTMBDCGE-STQMWFEESA-N 2 0 268.405 0.864 10 0 CCAERP COC[C@@]1(C(=O)N(C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000643768069 390538302 /nfs/dbraw/zinc/53/83/02/390538302.db2.gz QBZDBGWMDAXBHL-CQSZACIVSA-N 2 0 269.389 0.308 10 0 CCAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649276642 390544808 /nfs/dbraw/zinc/54/48/08/390544808.db2.gz VHWXCBAZTWGUHS-KBPBESRZSA-N 2 0 285.432 0.849 10 0 CCAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649285427 390550997 /nfs/dbraw/zinc/55/09/97/390550997.db2.gz ZFZQVWSKTUYXND-CYBMUJFWSA-N 2 0 283.416 0.554 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000649301392 390561798 /nfs/dbraw/zinc/56/17/98/390561798.db2.gz ZLTLGKONWWTWPM-CHWSQXEVSA-N 2 0 269.389 0.071 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]12 ZINC000567270826 390685536 /nfs/dbraw/zinc/68/55/36/390685536.db2.gz PZRFSMPSUOAFOO-ZOBORPQBSA-N 2 0 254.374 0.851 10 0 CCAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000572481118 390785241 /nfs/dbraw/zinc/78/52/41/390785241.db2.gz QYQVQIOPSXDUMU-LSDHHAIUSA-N 2 0 275.396 0.967 10 0 CCAERP CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000616570137 411840343 /nfs/dbraw/zinc/84/03/43/411840343.db2.gz MAPPONXIJLKBCH-WCQYABFASA-N 2 0 253.390 0.914 10 0 CCAERP CC[C@H](CC[NH3+])N1CCC[N@H+](C[C@@H](C)C(N)=O)CC1 ZINC000037227042 173047470 /nfs/dbraw/zinc/04/74/70/173047470.db2.gz SGQQWEBTAMDTRY-CHWSQXEVSA-N 2 0 270.421 0.243 10 0 CCAERP COCCOCCOCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662267699 414703283 /nfs/dbraw/zinc/70/32/83/414703283.db2.gz XSTBUJWWEPKQCY-ZNMIVQPWSA-N 2 0 286.416 0.725 10 0 CCAERP CCC[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071191052 176067768 /nfs/dbraw/zinc/06/77/68/176067768.db2.gz QZHAEBNFEUBCNG-OLZOCXBDSA-N 2 0 270.421 0.114 10 0 CCAERP CC(=O)N1CC[NH+](C2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC000725270107 545887929 /nfs/dbraw/zinc/88/79/29/545887929.db2.gz HHHWSPMOTYINRX-MOKVOYLWSA-N 2 0 251.374 0.811 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458283 544514728 /nfs/dbraw/zinc/51/47/28/544514728.db2.gz PEEXCWIGFLXXDM-AAEUAGOBSA-N 2 0 253.390 0.962 10 0 CCAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461888 544515108 /nfs/dbraw/zinc/51/51/08/544515108.db2.gz OVNZKENLXYJEKF-AGIUHOORSA-N 2 0 253.390 0.914 10 0 CCAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000089460655 544515113 /nfs/dbraw/zinc/51/51/13/544515113.db2.gz FOAKHTCPBLIAJB-OLZOCXBDSA-N 2 0 253.390 0.964 10 0 CCAERP C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000220564260 544816426 /nfs/dbraw/zinc/81/64/26/544816426.db2.gz GFRNTWSOJYLPCH-LSDHHAIUSA-N 2 0 267.417 0.783 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250219623 544922438 /nfs/dbraw/zinc/92/24/38/544922438.db2.gz DPVLBWQAXFMRDX-RWMBFGLXSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000252479110 544929661 /nfs/dbraw/zinc/92/96/61/544929661.db2.gz KHQXOMREGJKQBB-RWMBFGLXSA-N 2 0 253.390 0.975 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000252651278 544930485 /nfs/dbraw/zinc/93/04/85/544930485.db2.gz GVQHRYJNGHIPSR-YNEHKIRRSA-N 2 0 253.390 0.833 10 0 CCAERP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C1 ZINC000091304067 277189024 /nfs/dbraw/zinc/18/90/24/277189024.db2.gz XFYAVPDNNNKVPI-MNOVXSKESA-N 2 0 255.362 0.886 10 0 CCAERP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261634358 279069434 /nfs/dbraw/zinc/06/94/34/279069434.db2.gz DBKHQPASPNYCKO-MDZLAQPJSA-N 2 0 257.378 0.372 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@H](C)C2C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000262467692 280374404 /nfs/dbraw/zinc/37/44/04/280374404.db2.gz XZDUDORNEWUIAI-OUCADQQQSA-N 2 0 283.416 0.146 10 0 CCAERP CC1(C)CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000261752672 281206071 /nfs/dbraw/zinc/20/60/71/281206071.db2.gz DWOOJKFVHRTALN-TYNCELHUSA-N 2 0 265.401 0.962 10 0 CCAERP C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333491976 289216160 /nfs/dbraw/zinc/21/61/60/289216160.db2.gz DKSQWODHHFHBBA-STQMWFEESA-N 2 0 284.404 0.101 10 0 CCAERP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261832889 289766251 /nfs/dbraw/zinc/76/62/51/289766251.db2.gz NHJVHIWGDCIARI-STQMWFEESA-N 2 0 269.389 0.295 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000333777739 290098325 /nfs/dbraw/zinc/09/83/25/290098325.db2.gz DFAMYEZFXIRXFY-MELADBBJSA-N 2 0 298.431 0.225 10 0 CCAERP [NH3+]C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333944162 295252781 /nfs/dbraw/zinc/25/27/81/295252781.db2.gz RREJYIKYQUJHRY-AVGNSLFASA-N 2 0 266.389 0.746 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)O1 ZINC000333559749 295274766 /nfs/dbraw/zinc/27/47/66/295274766.db2.gz LEMUEWVLQAGFQB-KFWWJZLASA-N 2 0 289.379 0.666 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000228221752 295321982 /nfs/dbraw/zinc/32/19/82/295321982.db2.gz WLGFTSIKFKFHSX-XQQFMLRXSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000247508665 297097977 /nfs/dbraw/zinc/09/79/77/297097977.db2.gz VQWDWUCOLVBDKB-OCCSQVGLSA-N 2 0 280.416 0.959 10 0 CCAERP O=C(C1CC[NH2+]CC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186506133 303559814 /nfs/dbraw/zinc/55/98/14/303559814.db2.gz SFJHKIYASHRMFG-LBPRGKRZSA-N 2 0 251.374 0.729 10 0 CCAERP CC[NH2+]C[C@@H](C)C(=O)N(CCC[NH+](C)C)CCOC ZINC000061266098 519933240 /nfs/dbraw/zinc/93/32/40/519933240.db2.gz MCWMDCZKTPYNIG-CYBMUJFWSA-N 2 0 273.421 0.659 10 0 CCAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)CCCOC)C(N)=O ZINC000062034757 520034257 /nfs/dbraw/zinc/03/42/57/520034257.db2.gz VKZCVRCKZDFNKC-AWEZNQCLSA-N 2 0 273.421 0.979 10 0 CCAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061271378 520065425 /nfs/dbraw/zinc/06/54/25/520065425.db2.gz LYQHRUMIRLIOIZ-RYUDHWBXSA-N 2 0 253.390 0.975 10 0 CCAERP CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])CCOC)[NH+](C)C ZINC000052809791 521604211 /nfs/dbraw/zinc/60/42/11/521604211.db2.gz PARSDINHDHKNJQ-CHWSQXEVSA-N 2 0 273.421 0.833 10 0 CCAERP CCCN(CCn1cc(C[NH2+]C)nn1)CC[NH+](C)C ZINC000052544205 521656811 /nfs/dbraw/zinc/65/68/11/521656811.db2.gz ZPNRIQWDRLYHKE-UHFFFAOYSA-N 2 0 268.409 0.271 10 0 CCAERP COCC[C@@H]([NH3+])C(=O)NCCCC[N@H+](C)C(C)C ZINC000052810336 521821398 /nfs/dbraw/zinc/82/13/98/521821398.db2.gz WLFBCLKANPROIM-GFCCVEGCSA-N 2 0 259.394 0.587 10 0 CCAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)COC)O1 ZINC000052572427 522093754 /nfs/dbraw/zinc/09/37/54/522093754.db2.gz CUVTUBHBTGXZPE-MJBXVCDLSA-N 2 0 274.405 0.737 10 0 CCAERP CC[C@H](C)[NH2+]C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655323 524003572 /nfs/dbraw/zinc/00/35/72/524003572.db2.gz UXVWASHABJICBI-GJZGRUSLSA-N 2 0 270.465 0.942 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000157767629 527238984 /nfs/dbraw/zinc/23/89/84/527238984.db2.gz BXPKOAIAQOAAKE-XQHKEYJVSA-N 2 0 267.373 0.236 10 0 CCAERP COCCN1CC[NH+]([C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675052864 545320470 /nfs/dbraw/zinc/32/04/70/545320470.db2.gz BIRLEOIMWGMBTR-KBPBESRZSA-N 2 0 255.406 0.768 10 0 CCAERP CC[NH+]1CCN(CC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261893112 535652497 /nfs/dbraw/zinc/65/24/97/535652497.db2.gz VLQRXBPUMYTPCA-UONOGXRCSA-N 2 0 282.432 0.210 10 0 CCAERP O[C@@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000311254040 623683346 /nfs/dbraw/zinc/68/33/46/623683346.db2.gz QEEVCZXMWCGOST-HUUCEWRRSA-N 2 0 267.417 0.613 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000124099879 646264596 /nfs/dbraw/zinc/26/45/96/646264596.db2.gz NDSDUHPTUMWIQV-RTXFEEFZSA-N 2 0 251.374 0.809 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCC[NH3+])C[C@@H]1C ZINC000249092325 649740658 /nfs/dbraw/zinc/74/06/58/649740658.db2.gz WLLOQVZLVFHLJG-STQMWFEESA-N 2 0 271.405 0.419 10 0 CCAERP CS[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000262462500 295671284 /nfs/dbraw/zinc/67/12/84/295671284.db2.gz VZIFKKNXUSIDSG-RVMXOQNASA-N 2 0 285.457 0.879 10 0 CCAERP COCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845997 349725693 /nfs/dbraw/zinc/72/56/93/349725693.db2.gz DVTXBAZBUCMNKG-INIZCTEOSA-N 2 0 299.459 0.750 10 0 CCAERP O=C1NCCCC[C@@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000120203126 349973329 /nfs/dbraw/zinc/97/33/29/349973329.db2.gz OGHSIIPHYAXUPR-HNNXBMFYSA-N 2 0 295.427 0.699 10 0 CCAERP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000262438731 137043306 /nfs/dbraw/zinc/04/33/06/137043306.db2.gz SOJMJNVEEXJRLX-CABCVRRESA-N 2 0 295.427 0.434 10 0 CCAERP COc1c(C)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000263151917 137059377 /nfs/dbraw/zinc/05/93/77/137059377.db2.gz DBZASCDMOZLRLQ-ZIAGYGMSSA-N 2 0 264.369 0.982 10 0 CCAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263292592 137063016 /nfs/dbraw/zinc/06/30/16/137063016.db2.gz VUUAJKCRZHQFHV-DOMZBBRYSA-N 2 0 287.367 0.246 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000263304796 137063419 /nfs/dbraw/zinc/06/34/19/137063419.db2.gz XQGIXUDTJIIBOE-ZIAGYGMSSA-N 2 0 257.337 0.905 10 0 CCAERP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000037766057 348202392 /nfs/dbraw/zinc/20/23/92/348202392.db2.gz OCOFPFBDJFSFIY-JSGCOSHPSA-N 2 0 293.367 0.288 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291002 348548086 /nfs/dbraw/zinc/54/80/86/348548086.db2.gz FYASOLXPIYQHIS-STQMWFEESA-N 2 0 253.390 0.834 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)C1(C[NH3+])CCOCC1 ZINC000063121277 348677683 /nfs/dbraw/zinc/67/76/83/348677683.db2.gz AJELRMTZVWATEL-UHFFFAOYSA-N 2 0 283.416 0.542 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000083704059 349309986 /nfs/dbraw/zinc/30/99/86/349309986.db2.gz PSNCRBOWNGNBOK-UPJWGTAASA-N 2 0 251.374 0.824 10 0 CCAERP c1nc(CC[NH2+]CCN2CCC[NH2+]CC2)cs1 ZINC000104446339 186004802 /nfs/dbraw/zinc/00/48/02/186004802.db2.gz QKSQQIBEKSRABD-UHFFFAOYSA-N 2 0 254.403 0.571 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129806550 350223008 /nfs/dbraw/zinc/22/30/08/350223008.db2.gz GRPYBGRGSYWEPZ-UONOGXRCSA-N 2 0 294.443 0.365 10 0 CCAERP Cc1nccn1C[C@H]1CCCN1C(=O)C[NH2+]C1CC1 ZINC000154674737 350595598 /nfs/dbraw/zinc/59/55/98/350595598.db2.gz BBLZOLOMCJQZMU-CYBMUJFWSA-N 2 0 262.357 0.935 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[N@@H+]1C ZINC000158098059 350653599 /nfs/dbraw/zinc/65/35/99/350653599.db2.gz JHPDTOHOHHEOAR-FDYHWXHSSA-N 2 0 253.390 0.973 10 0 CCAERP C[NH2+]CCCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000178761270 351244952 /nfs/dbraw/zinc/24/49/52/351244952.db2.gz UGIRZUSRCXTEIR-CQSZACIVSA-N 2 0 283.416 0.557 10 0 CCAERP CC[N@H+](CC(=O)N1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000179168955 351260063 /nfs/dbraw/zinc/26/00/63/351260063.db2.gz YTPNSYJKNJAUJW-CYBMUJFWSA-N 2 0 251.374 0.777 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000251826896 352511698 /nfs/dbraw/zinc/51/16/98/352511698.db2.gz PGYAESKANASDMX-AAEUAGOBSA-N 2 0 251.374 0.824 10 0 CCAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000335939211 283040020 /nfs/dbraw/zinc/04/00/20/283040020.db2.gz TZVPGAUEWCVVRF-CHWSQXEVSA-N 2 0 251.374 0.635 10 0 CCAERP C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH3+] ZINC000333941374 354818352 /nfs/dbraw/zinc/81/83/52/354818352.db2.gz OYSSEGFZSJZKOR-RISCZKNCSA-N 2 0 280.416 0.849 10 0 CCAERP C[C@H]1CN(C(=O)NC2C[NH2+]C2)CC[N@@H+](C2CCC2)C1 ZINC000335395909 354995859 /nfs/dbraw/zinc/99/58/59/354995859.db2.gz NDFSMMGXSSBXLJ-LLVKDONJSA-N 2 0 266.389 0.474 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)[nH+]1 ZINC000333923598 283276965 /nfs/dbraw/zinc/27/69/65/283276965.db2.gz SITJFSBXULRVRP-WDEREUQCSA-N 2 0 285.355 0.263 10 0 CCAERP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167397610 296015838 /nfs/dbraw/zinc/01/58/38/296015838.db2.gz VMXTVXHCSWDBRA-KGLIPLIRSA-N 2 0 281.400 0.309 10 0 CCAERP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841382 370708079 /nfs/dbraw/zinc/70/80/79/370708079.db2.gz JZMJHOKDKMBFFB-SRVKXCTJSA-N 2 0 257.378 0.054 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@H](c2ccc3nnccc3c2)C1 ZINC000616634028 365393345 /nfs/dbraw/zinc/39/33/45/365393345.db2.gz KRWWDDAOWBCGIL-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638072721 374624143 /nfs/dbraw/zinc/62/41/43/374624143.db2.gz VCRRRUCOPATOFG-UKRRQHHQSA-N 2 0 285.432 0.834 10 0 CCAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334327004 206375424 /nfs/dbraw/zinc/37/54/24/206375424.db2.gz BXWNQKNVTOCLQA-OCCSQVGLSA-N 2 0 280.416 0.959 10 0 CCAERP CC1(C)CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000335093907 207643455 /nfs/dbraw/zinc/64/34/55/207643455.db2.gz LEGARTWCGGSXDQ-FZMZJTMJSA-N 2 0 253.390 0.962 10 0 CCAERP COC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171973335 285244661 /nfs/dbraw/zinc/24/46/61/285244661.db2.gz HZXOUMMLAPJJPB-OCCSQVGLSA-N 2 0 274.405 0.018 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000311652273 389104581 /nfs/dbraw/zinc/10/45/81/389104581.db2.gz FASMYXHSYMOIQV-FPMFFAJLSA-N 2 0 265.401 0.927 10 0 CCAERP CC[NH+]1CCN([C@@H]2CCN(CC[NH2+]C(C)C)C2)CC1 ZINC000191488397 285334590 /nfs/dbraw/zinc/33/45/90/285334590.db2.gz RKSRWCZDOVOCTR-OAHLLOKOSA-N 2 0 268.449 0.696 10 0 CCAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000151263647 389276368 /nfs/dbraw/zinc/27/63/68/389276368.db2.gz YTSCGLFXHRJYBJ-MJBXVCDLSA-N 2 0 256.390 0.848 10 0 CCAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000333394486 389411792 /nfs/dbraw/zinc/41/17/92/389411792.db2.gz PERNYEFLTNGHDV-WXHSDQCUSA-N 2 0 266.389 0.602 10 0 CCAERP [NH3+]C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333944163 389450430 /nfs/dbraw/zinc/45/04/30/389450430.db2.gz RREJYIKYQUJHRY-RWMBFGLXSA-N 2 0 266.389 0.746 10 0 CCAERP COCCC1(C(=O)NCCC[NH+](C)C)CC[NH2+]CC1 ZINC000649276327 390544216 /nfs/dbraw/zinc/54/42/16/390544216.db2.gz NCLLCHNXBKLHHY-UHFFFAOYSA-N 2 0 271.405 0.461 10 0 CCAERP COC[C@]1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCC[NH2+]1 ZINC000649335219 390591477 /nfs/dbraw/zinc/59/14/77/390591477.db2.gz LYZFSLHVPYGLKJ-YDHLFZDLSA-N 2 0 281.400 0.450 10 0 CCAERP COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000649310380 390569238 /nfs/dbraw/zinc/56/92/38/390569238.db2.gz AQWZFPFEMBYMNW-JSGCOSHPSA-N 2 0 269.389 0.213 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300521734 411743524 /nfs/dbraw/zinc/74/35/24/411743524.db2.gz LTTZUSAXSYSJKS-FVCCEPFGSA-N 2 0 251.374 0.585 10 0 CCAERP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000035632933 172316057 /nfs/dbraw/zinc/31/60/57/172316057.db2.gz RWUBMNMIHZHEJG-NSHDSACASA-N 2 0 285.413 0.807 10 0 CCAERP COC[C@]1(C(=O)NCC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662857376 414849387 /nfs/dbraw/zinc/84/93/87/414849387.db2.gz APOGZVBSGHYUJN-AAEUAGOBSA-N 2 0 257.378 0.211 10 0 CCAERP O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043425525 175040233 /nfs/dbraw/zinc/04/02/33/175040233.db2.gz RFBGWMPAJRDUHV-QWHCGFSZSA-N 2 0 267.373 0.062 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000665275060 415583975 /nfs/dbraw/zinc/58/39/75/415583975.db2.gz BCXZENKZAIGWGK-NSHDSACASA-N 2 0 260.403 0.685 10 0 CCAERP CCO[C@H](C[NH3+])CCNc1ccnn1C1C[NH2+]C1 ZINC000725258280 545881388 /nfs/dbraw/zinc/88/13/88/545881388.db2.gz MTZKOLSJAUAKIK-NSHDSACASA-N 2 0 253.350 0.193 10 0 CCAERP CC1([NH+]2CCOCC2)CCC([NH+](CCO)CCO)CC1 ZINC000725262992 545883244 /nfs/dbraw/zinc/88/32/44/545883244.db2.gz ZXCJOCUOEWMERM-UHFFFAOYSA-N 2 0 286.416 0.307 10 0 CCAERP CC[NH2+]CCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260475 545882140 /nfs/dbraw/zinc/88/21/40/545882140.db2.gz TYKYWDWZJUNIDM-UHFFFAOYSA-N 2 0 251.334 0.356 10 0 CCAERP COCC[NH+]1CCN([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264459 545885014 /nfs/dbraw/zinc/88/50/14/545885014.db2.gz PFUIALXAPKMLLD-KGLIPLIRSA-N 2 0 283.416 0.147 10 0 CCAERP CN(C)[C@@H]1CCC[N@@H+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273945 545889482 /nfs/dbraw/zinc/88/94/82/545889482.db2.gz XGHNTDWYUCBKCG-CQSZACIVSA-N 2 0 254.422 0.436 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000136401809 544638813 /nfs/dbraw/zinc/63/88/13/544638813.db2.gz GBFUTRSELOMNHT-HNNXBMFYSA-N 2 0 297.443 0.931 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C ZINC000261787273 544936859 /nfs/dbraw/zinc/93/68/59/544936859.db2.gz PVOMOXOWJXZTOC-XDQVBPFNSA-N 2 0 283.416 0.417 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000261712829 544937038 /nfs/dbraw/zinc/93/70/38/544937038.db2.gz JJXIRRLIHARYBN-YNEHKIRRSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000333746635 545042339 /nfs/dbraw/zinc/04/23/39/545042339.db2.gz YLFAHEBDGSVZGW-UPJWGTAASA-N 2 0 268.405 0.897 10 0 CCAERP [NH3+]CCCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000098131055 649862040 /nfs/dbraw/zinc/86/20/40/649862040.db2.gz NJZPSJRRFRVTAU-HNNXBMFYSA-N 2 0 263.385 0.686 10 0 CCAERP C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000062980721 275393376 /nfs/dbraw/zinc/39/33/76/275393376.db2.gz MGKPZJPUCNBHDD-HNNXBMFYSA-N 2 0 267.417 0.783 10 0 CCAERP CC1CC[NH+](CCN2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000153843674 278541816 /nfs/dbraw/zinc/54/18/16/278541816.db2.gz HXCQKAQOJPYQSX-OAHLLOKOSA-N 2 0 269.433 0.981 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261807624 295271997 /nfs/dbraw/zinc/27/19/97/295271997.db2.gz NBTOJECEGXPZPJ-ITGHMWBKSA-N 2 0 265.401 0.947 10 0 CCAERP CC[N@H+](C)C[C@@H](O)CN(C)C[C@H]1CCC[NH+]1CC ZINC000386178547 545085915 /nfs/dbraw/zinc/08/59/15/545085915.db2.gz TZEWFYZDFNVLDC-ZIAGYGMSSA-N 2 0 257.422 0.715 10 0 CCAERP CS[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1[NH+](C)C ZINC000262565920 295643773 /nfs/dbraw/zinc/64/37/73/295643773.db2.gz LFTIOAUNFWKXDB-VXGBXAGGSA-N 2 0 271.430 0.490 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333475180 297538860 /nfs/dbraw/zinc/53/88/60/297538860.db2.gz BJRRPBQKKSNBQJ-CYDGBPFRSA-N 2 0 266.389 0.378 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000389644757 545086770 /nfs/dbraw/zinc/08/67/70/545086770.db2.gz MDNFLYHRSNXGGB-AVGNSLFASA-N 2 0 253.390 0.975 10 0 CCAERP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCCC[NH2+]1 ZINC000394377365 545088190 /nfs/dbraw/zinc/08/81/90/545088190.db2.gz CPFQCGXDMICVHF-UKRRQHHQSA-N 2 0 280.416 0.025 10 0 CCAERP C[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1[NH3+] ZINC000334927119 300141649 /nfs/dbraw/zinc/14/16/49/300141649.db2.gz TUWLHXSZRBFOJJ-QWRGUYRKSA-N 2 0 254.378 0.637 10 0 CCAERP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333647403 303419242 /nfs/dbraw/zinc/41/92/42/303419242.db2.gz JFWFHGDMHSAEFU-VXGBXAGGSA-N 2 0 254.378 0.651 10 0 CCAERP CC[NH+](CC)C[C@H](C)NC(=O)CN1CCC[NH2+]CC1 ZINC000061274510 520729857 /nfs/dbraw/zinc/72/98/57/520729857.db2.gz FBVDKHFLJSJVEC-ZDUSSCGKSA-N 2 0 270.421 0.128 10 0 CCAERP CC[NH2+]C[C@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000061236934 519960666 /nfs/dbraw/zinc/96/06/66/519960666.db2.gz LISZEKYXMALWGL-LBPRGKRZSA-N 2 0 253.390 0.786 10 0 CCAERP CC[NH2+][C@@H](C)CCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643819 520072370 /nfs/dbraw/zinc/07/23/70/520072370.db2.gz JYLVJLJGKMNXJQ-HNNXBMFYSA-N 3 0 270.465 0.944 10 0 CCAERP C[NH2+]C(C)(C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000061318437 521935651 /nfs/dbraw/zinc/93/56/51/521935651.db2.gz DVHBDVZETPXEEO-UHFFFAOYSA-N 2 0 270.421 0.127 10 0 CCAERP C[NH+](C)C1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000049643789 524040455 /nfs/dbraw/zinc/04/04/55/524040455.db2.gz DSTNKFCTCFZICT-NSHDSACASA-N 2 0 275.418 0.094 10 0 CCAERP [NH3+]Cc1cn(CC[N@@H+]2CCc3ccccc3C2)nn1 ZINC000052419125 527262877 /nfs/dbraw/zinc/26/28/77/527262877.db2.gz DIXGAKYSDIITSL-UHFFFAOYSA-N 2 0 257.341 0.795 10 0 CCAERP C[C@H]([NH3+])C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000409425207 581217587 /nfs/dbraw/zinc/21/75/87/581217587.db2.gz FKYUIPPVYPIPSD-JTQLQIEISA-N 2 0 257.403 0.373 10 0 CCAERP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1[NH+](C)C ZINC000310558669 625452010 /nfs/dbraw/zinc/45/20/10/625452010.db2.gz ISWMZHRJFCTZBK-HZSPNIEDSA-N 2 0 255.406 0.325 10 0 CCAERP COC(=O)[C@]12C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]1COCC2 ZINC000261820259 631632521 /nfs/dbraw/zinc/63/25/21/631632521.db2.gz QKLRSXLPUIIBIR-VNHYZAJKSA-N 2 0 282.384 0.498 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000262163368 631995149 /nfs/dbraw/zinc/99/51/49/631995149.db2.gz TVCLMTHHYBRRBI-LZQZFOIKSA-N 2 0 274.455 0.536 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000090954327 349445457 /nfs/dbraw/zinc/44/54/57/349445457.db2.gz XECDIODDAPDDEI-SECBINFHSA-N 2 0 268.386 0.420 10 0 CCAERP CCCCNC(=O)NC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326131 362222350 /nfs/dbraw/zinc/22/23/50/362222350.db2.gz KHEDJZLAXYLHST-WDEREUQCSA-N 2 0 270.377 0.139 10 0 CCAERP C[C@H]([NH3+])C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186571916 136912548 /nfs/dbraw/zinc/91/25/48/136912548.db2.gz LSJSUWXHQDFHJK-GXTWGEPZSA-N 2 0 276.384 0.900 10 0 CCAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262514064 137045567 /nfs/dbraw/zinc/04/55/67/137045567.db2.gz MPMLXSHHLWXKAM-STQMWFEESA-N 2 0 283.416 0.290 10 0 CCAERP Cn1cnc2cc(CNC[C@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC000263180974 137059776 /nfs/dbraw/zinc/05/97/76/137059776.db2.gz GUJDTVZKXCUACW-FZMZJTMJSA-N 2 0 260.341 0.243 10 0 CCAERP O=C(C1C[NH2+]C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000262167265 137029466 /nfs/dbraw/zinc/02/94/66/137029466.db2.gz BWISTQAGUKPFBX-SMDDNHRTSA-N 2 0 263.385 0.681 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000311688563 137075491 /nfs/dbraw/zinc/07/54/91/137075491.db2.gz KIWWWDQFVBXETR-HUUCEWRRSA-N 2 0 269.433 0.858 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054307502 348549417 /nfs/dbraw/zinc/54/94/17/348549417.db2.gz XNMBBGGJRBXMKW-QWHCGFSZSA-N 2 0 265.401 0.977 10 0 CCAERP CCC[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000162130278 350737678 /nfs/dbraw/zinc/73/76/78/350737678.db2.gz ZWEAUBBEZZTLBU-KGLIPLIRSA-N 2 0 284.448 0.469 10 0 CCAERP O=C(N[C@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccc2c[nH+]cn2c1 ZINC000168302032 350823584 /nfs/dbraw/zinc/82/35/84/350823584.db2.gz XCNRJOGZXODPOH-BIMULSAOSA-N 2 0 256.309 0.815 10 0 CCAERP COCCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000173504597 351041984 /nfs/dbraw/zinc/04/19/84/351041984.db2.gz VFKQOPSHYFXAOT-CQSZACIVSA-N 2 0 298.431 0.444 10 0 CCAERP C[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189019167 351647107 /nfs/dbraw/zinc/64/71/07/351647107.db2.gz MIINRDOJXWWSHK-GWCFXTLKSA-N 2 0 283.322 0.746 10 0 CCAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000237934440 352289978 /nfs/dbraw/zinc/28/99/78/352289978.db2.gz REZWGJHNWSNZMO-RRFJBIMHSA-N 2 0 295.427 0.685 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000250533872 352505941 /nfs/dbraw/zinc/50/59/41/352505941.db2.gz YGKUKUVPARTEEE-AGIUHOORSA-N 2 0 253.390 0.960 10 0 CCAERP O[C@H](C[NH2+]C[C@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000251096567 352509732 /nfs/dbraw/zinc/50/97/32/352509732.db2.gz JGHWQKNTJMISKK-MGPQQGTHSA-N 2 0 256.390 0.584 10 0 CCAERP [NH3+][C@@H]1COC[C@H]1Nc1ccncc1Br ZINC000306498784 354175090 /nfs/dbraw/zinc/17/50/90/354175090.db2.gz GYWXDUKTJZJUSY-VXNVDRBHSA-N 2 0 258.119 0.982 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000333612287 354763139 /nfs/dbraw/zinc/76/31/39/354763139.db2.gz GXCLQXFQWYGEFN-CQSZACIVSA-N 2 0 298.431 0.492 10 0 CCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000333936513 354817846 /nfs/dbraw/zinc/81/78/46/354817846.db2.gz KNAAOEONPMEBCU-STQMWFEESA-N 2 0 268.405 0.851 10 0 CCAERP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333784563 354793057 /nfs/dbraw/zinc/79/30/57/354793057.db2.gz FEIUREBVLVQIJS-CYBMUJFWSA-N 2 0 266.389 0.690 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000193590661 291192922 /nfs/dbraw/zinc/19/29/22/291192922.db2.gz DDVKZPSSMGLDKO-BXUZGUMPSA-N 2 0 273.380 0.739 10 0 CCAERP C[C@@H]1C[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000631844605 370710130 /nfs/dbraw/zinc/71/01/30/370710130.db2.gz KAFSXNRSUCYCQR-NEPJUHHUSA-N 2 0 287.363 0.809 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@H](c2cnnc3ccccc32)C1 ZINC000616601720 365381027 /nfs/dbraw/zinc/38/10/27/365381027.db2.gz IROLPAZMEOFBKM-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP O=C(NCC[NH+]1CCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764410 372210722 /nfs/dbraw/zinc/21/07/22/372210722.db2.gz SNBKMRZZDFABGV-JSGCOSHPSA-N 2 0 251.374 0.588 10 0 CCAERP O=C(N1CC[NH+](CC2CC2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766096 372213007 /nfs/dbraw/zinc/21/30/07/372213007.db2.gz RFYCEKUXMNCJTK-HOCLYGCPSA-N 2 0 277.412 0.930 10 0 CCAERP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333448664 205328467 /nfs/dbraw/zinc/32/84/67/205328467.db2.gz XEPZLRFOMHCFCD-STQMWFEESA-N 2 0 284.404 0.148 10 0 CCAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000333493894 205373134 /nfs/dbraw/zinc/37/31/34/205373134.db2.gz CQCFZZGJGVXYDC-JSGCOSHPSA-N 2 0 280.416 0.934 10 0 CCAERP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000638072110 374624826 /nfs/dbraw/zinc/62/48/26/374624826.db2.gz QFQXCFRQBDNKMP-KCQAQPDRSA-N 2 0 285.432 0.846 10 0 CCAERP O=C(NC[C@H]1CC[NH2+]C1)C12CCC[NH+](CCC1)C2 ZINC000638166737 374746254 /nfs/dbraw/zinc/74/62/54/374746254.db2.gz VLNUPEGTOFRCPM-LBPRGKRZSA-N 2 0 251.374 0.588 10 0 CCAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000262235048 296243475 /nfs/dbraw/zinc/24/34/75/296243475.db2.gz MXXZAVVFMGYMST-LBPRGKRZSA-N 2 0 288.395 0.943 10 0 CCAERP CC(=O)NC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000132627710 284822781 /nfs/dbraw/zinc/82/27/81/284822781.db2.gz IECRRSJXMBQMBX-UYSNPLJNSA-N 2 0 297.443 0.870 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000246850202 285034804 /nfs/dbraw/zinc/03/48/04/285034804.db2.gz VROKIYUOFMPWLD-GJZGRUSLSA-N 2 0 269.433 0.859 10 0 CCAERP CCC[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000184077861 388769132 /nfs/dbraw/zinc/76/91/32/388769132.db2.gz PRSBHUGDQQAHDD-GJZGRUSLSA-N 2 0 298.475 0.859 10 0 CCAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000192109231 389026905 /nfs/dbraw/zinc/02/69/05/389026905.db2.gz PJJHZOHFPYFLAZ-MELADBBJSA-N 2 0 283.416 0.541 10 0 CCAERP C[C@@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000333569645 389426915 /nfs/dbraw/zinc/42/69/15/389426915.db2.gz MFYDHNGXPCGQHJ-NQBHXWOUSA-N 2 0 291.399 0.306 10 0 CCAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CN2CCCC2=O)CCN1C ZINC000177060225 389570540 /nfs/dbraw/zinc/57/05/40/389570540.db2.gz AGLWLZHKRIPPOP-MCIONIFRSA-N 2 0 283.416 0.384 10 0 CCAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399092383 389788496 /nfs/dbraw/zinc/78/84/96/389788496.db2.gz XBWUSQKRAHFUHC-YJNKXOJESA-N 2 0 286.416 0.018 10 0 CCAERP COC[C@]1(C(=O)NCC[N@H+](C)C2CCCC2)CCC[NH2+]1 ZINC000649323302 390581578 /nfs/dbraw/zinc/58/15/78/390581578.db2.gz UQENIQIOOYOHEX-HNNXBMFYSA-N 2 0 283.416 0.746 10 0 CCAERP COC[C@@]1(C(=O)NCC2([NH+](C)C)CCCC2)CCC[NH2+]1 ZINC000649277649 390545439 /nfs/dbraw/zinc/54/54/39/390545439.db2.gz NDCDSGCUHHRKQT-OAHLLOKOSA-N 2 0 283.416 0.746 10 0 CCAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643783437 390548942 /nfs/dbraw/zinc/54/89/42/390548942.db2.gz SCROFHJZWJUIAQ-GFCCVEGCSA-N 2 0 257.378 0.023 10 0 CCAERP CC1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649293572 390554481 /nfs/dbraw/zinc/55/44/81/390554481.db2.gz YNEVOBRJOVWKJM-ZDUSSCGKSA-N 2 0 269.389 0.071 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649298964 390558739 /nfs/dbraw/zinc/55/87/39/390558739.db2.gz OMDSBMIEGTUKHQ-OLZOCXBDSA-N 2 0 271.405 0.315 10 0 CCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649298943 390558762 /nfs/dbraw/zinc/55/87/62/390558762.db2.gz NHDRYOBUEGWFST-CHWSQXEVSA-N 2 0 269.389 0.023 10 0 CCAERP COC[C@@]1(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000649299062 390558783 /nfs/dbraw/zinc/55/87/83/390558783.db2.gz WTVRGBVAFFVIJB-DZGCQCFKSA-N 2 0 283.416 0.555 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649305627 390565054 /nfs/dbraw/zinc/56/50/54/390565054.db2.gz XTXDPJMSFIGAIX-ZDUSSCGKSA-N 2 0 269.389 0.071 10 0 CCAERP C[NH+]1CCC(CCNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649309389 390567991 /nfs/dbraw/zinc/56/79/91/390567991.db2.gz MTTOTVUDTXQVCC-CYBMUJFWSA-N 2 0 269.389 0.071 10 0 CCAERP COCC[NH+]1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180993573 292523429 /nfs/dbraw/zinc/52/34/29/292523429.db2.gz SFHQUMLMUVUKMC-HNNXBMFYSA-N 2 0 283.416 0.746 10 0 CCAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000300409066 411743387 /nfs/dbraw/zinc/74/33/87/411743387.db2.gz ITDDRSFSWBKBLJ-AAEUAGOBSA-N 2 0 253.390 0.962 10 0 CCAERP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCC[NH2+]CC1 ZINC000653043851 412199061 /nfs/dbraw/zinc/19/90/61/412199061.db2.gz FNCDRSXRXFIXJY-RKDXNWHRSA-N 2 0 265.279 0.206 10 0 CCAERP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851594 414842490 /nfs/dbraw/zinc/84/24/90/414842490.db2.gz BXJZGQGIVNXCIX-IUODEOHRSA-N 2 0 283.416 0.744 10 0 CCAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1(CO)CCOCC1 ZINC000071191627 176069794 /nfs/dbraw/zinc/06/97/94/176069794.db2.gz LRUGBYNWZDGXGL-CYBMUJFWSA-N 2 0 256.390 0.659 10 0 CCAERP CCC[C@@H]([NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258031 545879535 /nfs/dbraw/zinc/87/95/35/545879535.db2.gz DGHHSOXXMATSMR-SECBINFHSA-N 2 0 251.334 0.483 10 0 CCAERP CC(C)[NH+]1CCN([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264375 545884633 /nfs/dbraw/zinc/88/46/33/545884633.db2.gz JTSYLNQERZQSFV-KBPBESRZSA-N 2 0 267.417 0.909 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250645450 544923862 /nfs/dbraw/zinc/92/38/62/544923862.db2.gz JQJGWLRIWRXTBM-RWMBFGLXSA-N 2 0 251.374 0.668 10 0 CCAERP CCN(C)C(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000178199351 279014456 /nfs/dbraw/zinc/01/44/56/279014456.db2.gz MJOJTXJQTLDWEJ-CQSZACIVSA-N 2 0 299.459 0.879 10 0 CCAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261702255 289285316 /nfs/dbraw/zinc/28/53/16/289285316.db2.gz INIJVAAVXHVJEX-UPJWGTAASA-N 2 0 253.390 0.818 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000091291286 289311719 /nfs/dbraw/zinc/31/17/19/289311719.db2.gz ZFHOAYCMLCDZNN-GHMZBOCLSA-N 2 0 257.403 0.244 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000334926537 289314035 /nfs/dbraw/zinc/31/40/35/289314035.db2.gz DGYQOUFWFAOROO-NWDGAFQWSA-N 2 0 254.378 0.474 10 0 CCAERP C[NH+]1CCC(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000259058104 289870858 /nfs/dbraw/zinc/87/08/58/289870858.db2.gz NCSAKYCQABUFHP-LBPRGKRZSA-N 2 0 253.390 0.914 10 0 CCAERP [NH3+]C[C@@H]1CCCN1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335295253 295252828 /nfs/dbraw/zinc/25/28/28/295252828.db2.gz PYIZSEUOQQEQST-IUCAKERBSA-N 2 0 262.304 0.116 10 0 CCAERP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334938790 295270392 /nfs/dbraw/zinc/27/03/92/295270392.db2.gz BXTYTZRRDYIKOF-OLZOCXBDSA-N 2 0 280.416 0.899 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000388659912 545086560 /nfs/dbraw/zinc/08/65/60/545086560.db2.gz BDUJMFQRNVNPNZ-HUUCEWRRSA-N 2 0 269.433 0.858 10 0 CCAERP CC(C)(C)OC(=O)N1CCC[C@@](C[NH3+])(C[C@H](O)C[NH3+])C1 ZINC000536955287 330383059 /nfs/dbraw/zinc/38/30/59/330383059.db2.gz OPNKQJTYMKASIE-FZMZJTMJSA-N 2 0 287.404 0.672 10 0 CCAERP CC[NH+](CC)C[C@@H](O)CN[C@H](C[NH+](C)C)C(C)C ZINC000049204477 520721498 /nfs/dbraw/zinc/72/14/98/520721498.db2.gz AIKFPTPZFOPANA-UONOGXRCSA-N 2 0 259.438 0.865 10 0 CCAERP C[NH+](C)CCN1CCN([C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000061642701 521765163 /nfs/dbraw/zinc/76/51/63/521765163.db2.gz MUKAUTPRHWZBRY-NSHDSACASA-N 2 0 282.354 0.445 10 0 CCAERP C[NH+](C)C[C@@H]1CCCN1CCN1CCC[NH2+]CC1 ZINC000061652373 521838108 /nfs/dbraw/zinc/83/81/08/521838108.db2.gz WPZKPJSEWKVZSA-AWEZNQCLSA-N 2 0 254.422 0.308 10 0 CCAERP C[NH+](C)C[C@H]1CCCN1C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000061653001 521869435 /nfs/dbraw/zinc/86/94/35/521869435.db2.gz MDIUVDOREBUYTG-TZMCWYRMSA-N 2 0 268.405 0.008 10 0 CCAERP COCC[C@](C)(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978447 521995997 /nfs/dbraw/zinc/99/59/97/521995997.db2.gz LCTVVXARWUXFGB-UONOGXRCSA-N 2 0 255.406 0.910 10 0 CCAERP CCC[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675080016 545321330 /nfs/dbraw/zinc/32/13/30/545321330.db2.gz KUHGHDBMVAWLSP-RQJABVFESA-N 2 0 256.390 0.894 10 0 CCAERP CC[NH+]1CCN(CCC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261906176 535679115 /nfs/dbraw/zinc/67/91/15/535679115.db2.gz WXKUCBNJOLLFFT-LSDHHAIUSA-N 2 0 296.459 0.600 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900378408 614214284 /nfs/dbraw/zinc/21/42/84/614214284.db2.gz QUGJBPGQRAYGAF-NFAWXSAZSA-N 2 0 285.432 0.534 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000091544362 622858802 /nfs/dbraw/zinc/85/88/02/622858802.db2.gz IVNTWNNEVDANAM-MJBXVCDLSA-N 2 0 253.390 0.520 10 0 CCAERP CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250199846 649756873 /nfs/dbraw/zinc/75/68/73/649756873.db2.gz BHPRYTMDUIQSFK-RYUDHWBXSA-N 2 0 275.418 0.142 10 0 CCAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263255805 137061665 /nfs/dbraw/zinc/06/16/65/137061665.db2.gz FNNOZCQTQNKPPM-LLVKDONJSA-N 2 0 253.390 0.833 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(CC)CC[NH2+]C2)C1 ZINC000062898888 348672052 /nfs/dbraw/zinc/67/20/52/348672052.db2.gz JMYSRIUPPUGGLZ-OCCSQVGLSA-N 2 0 253.390 0.977 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000062973313 348674159 /nfs/dbraw/zinc/67/41/59/348674159.db2.gz HIUPLXIIBXLYJO-BFHYXJOUSA-N 2 0 281.400 0.450 10 0 CCAERP COCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105233554 186046683 /nfs/dbraw/zinc/04/66/83/186046683.db2.gz PNIWXZARKADXAD-CQSZACIVSA-N 2 0 298.431 0.444 10 0 CCAERP CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000152088093 350517553 /nfs/dbraw/zinc/51/75/53/350517553.db2.gz ULZDXQRPVDZQSH-DZGCQCFKSA-N 2 0 299.459 0.878 10 0 CCAERP CCC[C@@H](C(=O)NCCCN1CC[NH+](CC)CC1)[NH+](C)C ZINC000161567098 350724882 /nfs/dbraw/zinc/72/48/82/350724882.db2.gz RJPALRNVCMCYPT-HNNXBMFYSA-N 2 0 298.475 0.861 10 0 CCAERP CCC[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+](C)C ZINC000162127640 350736669 /nfs/dbraw/zinc/73/66/69/350736669.db2.gz NGBOPJWMLRRZNI-LSDHHAIUSA-N 2 0 298.475 0.716 10 0 CCAERP COCCN1CCN(C(=O)CC2CC[NH2+]CC2)C[C@H]1C ZINC000168026051 350818648 /nfs/dbraw/zinc/81/86/48/350818648.db2.gz KUPKFDIFENGMDP-CYBMUJFWSA-N 2 0 283.416 0.555 10 0 CCAERP C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C[NH3+])c2)CC1 ZINC000165298940 350788923 /nfs/dbraw/zinc/78/89/23/350788923.db2.gz OLBRXYDGUYXKEV-UHFFFAOYSA-N 2 0 250.302 0.805 10 0 CCAERP COCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170834447 350866855 /nfs/dbraw/zinc/86/68/55/350866855.db2.gz NLJVAHNGBATLCX-AWEZNQCLSA-N 2 0 298.431 0.443 10 0 CCAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000180829358 351292665 /nfs/dbraw/zinc/29/26/65/351292665.db2.gz LOWIVGIDFPKIHY-HUUCEWRRSA-N 2 0 294.443 0.319 10 0 CCAERP COCC[N@@H+]1CCN(CCn2ccnc2)C[C@H]1C ZINC000122657491 187044613 /nfs/dbraw/zinc/04/46/13/187044613.db2.gz ZEBOQSSFGQVZRQ-CYBMUJFWSA-N 2 0 252.362 0.536 10 0 CCAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000225554377 352008884 /nfs/dbraw/zinc/00/88/84/352008884.db2.gz UEVJCQZIQYWETD-ZIAGYGMSSA-N 2 0 283.416 0.288 10 0 CCAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000245985859 352344103 /nfs/dbraw/zinc/34/41/03/352344103.db2.gz QBZLSMRXVSLAJW-STQMWFEESA-N 2 0 251.374 0.824 10 0 CCAERP C[N@@H+]1CCC[C@H]2CN(Cc3nccc(N)n3)CC[C@H]21 ZINC000246414220 352365565 /nfs/dbraw/zinc/36/55/65/352365565.db2.gz BSHTZEUBYGKVFG-NWDGAFQWSA-N 2 0 261.373 0.975 10 0 CCAERP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246706600 352379768 /nfs/dbraw/zinc/37/97/68/352379768.db2.gz WONGHZNDAWKRNB-GXTWGEPZSA-N 2 0 276.384 0.628 10 0 CCAERP CN1CCO[C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247061604 352396774 /nfs/dbraw/zinc/39/67/74/352396774.db2.gz OCGWSRPBZRTPFU-BFHYXJOUSA-N 2 0 298.431 0.489 10 0 CCAERP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000312824592 354211068 /nfs/dbraw/zinc/21/10/68/354211068.db2.gz UBHQBKYPBKUOHC-KFWWJZLASA-N 2 0 285.432 0.094 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335038748 354944749 /nfs/dbraw/zinc/94/47/49/354944749.db2.gz SDAHWKCCCBVOEM-NWDGAFQWSA-N 2 0 251.374 0.811 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766949 372214601 /nfs/dbraw/zinc/21/46/01/372214601.db2.gz CCFOTHPLOAFPCG-GUTXKFCHSA-N 2 0 265.401 0.929 10 0 CCAERP C[N@H+](CCNC(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000333405020 205291944 /nfs/dbraw/zinc/29/19/44/205291944.db2.gz QMFJNRONZPJUOS-LLVKDONJSA-N 2 0 254.378 0.522 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334257377 206267617 /nfs/dbraw/zinc/26/76/17/206267617.db2.gz NCRBRGPKTPTJNT-CYBMUJFWSA-N 2 0 280.416 0.960 10 0 CCAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000638974563 375490337 /nfs/dbraw/zinc/49/03/37/375490337.db2.gz AOWGISUXULZDAC-VXGBXAGGSA-N 2 0 269.389 0.042 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC[C@H]21 ZINC000250637362 285144069 /nfs/dbraw/zinc/14/40/69/285144069.db2.gz SIEDTMHFWPMBNG-SYQHCUMBSA-N 2 0 281.400 0.435 10 0 CCAERP CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311795627 389105364 /nfs/dbraw/zinc/10/53/64/389105364.db2.gz YYUDYFSGNGDNHX-GXTWGEPZSA-N 2 0 265.401 0.929 10 0 CCAERP CC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247817524 389243448 /nfs/dbraw/zinc/24/34/48/389243448.db2.gz WOLKHJGOWSGCSY-JSGCOSHPSA-N 2 0 258.406 0.782 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000252560722 389265309 /nfs/dbraw/zinc/26/53/09/389265309.db2.gz VVZASTAGEPUBLE-LOWDOPEQSA-N 2 0 267.373 0.093 10 0 CCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000333136407 389405853 /nfs/dbraw/zinc/40/58/53/389405853.db2.gz CLLPLFXWGYMSCL-QWHCGFSZSA-N 2 0 268.405 0.768 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000333897363 389448404 /nfs/dbraw/zinc/44/84/04/389448404.db2.gz AZSFOBNXGIVBMB-SDDRHHMPSA-N 2 0 254.378 0.520 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1[NH3+] ZINC000333941710 389450796 /nfs/dbraw/zinc/45/07/96/389450796.db2.gz PFVMZBPUYLCKBS-YVECIDJPSA-N 2 0 266.389 0.602 10 0 CCAERP CC[C@H](O)C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000174089493 389515086 /nfs/dbraw/zinc/51/50/86/389515086.db2.gz NYWRHRFYHIUMES-HNNXBMFYSA-N 2 0 269.433 0.861 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH2+]C2CC2)CC1 ZINC000179855259 389663104 /nfs/dbraw/zinc/66/31/04/389663104.db2.gz GWGDCMDCAPAOLI-GFCCVEGCSA-N 2 0 283.416 0.290 10 0 CCAERP COCC[N@H+](C)CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180990137 389679764 /nfs/dbraw/zinc/67/97/64/389679764.db2.gz WUYNXZYGCMCDNL-CQSZACIVSA-N 2 0 271.405 0.603 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000648152397 390314393 /nfs/dbraw/zinc/31/43/93/390314393.db2.gz YEVRUOPADLHZLM-UWVGGRQHSA-N 2 0 261.316 0.394 10 0 CCAERP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000649323363 390580907 /nfs/dbraw/zinc/58/09/07/390580907.db2.gz YDHSBXCUCXNQID-LBPRGKRZSA-N 2 0 269.389 0.213 10 0 CCAERP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643775493 390541233 /nfs/dbraw/zinc/54/12/33/390541233.db2.gz WSZKIMPAOAUMJI-QWHCGFSZSA-N 2 0 269.389 0.165 10 0 CCAERP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000649333337 390590167 /nfs/dbraw/zinc/59/01/67/390590167.db2.gz NCXDJFBZWUAYCB-OBJOEFQTSA-N 2 0 269.389 0.354 10 0 CCAERP C[NH+](C)CC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649294260 390556018 /nfs/dbraw/zinc/55/60/18/390556018.db2.gz HZRHCOCYENSSQP-ZDUSSCGKSA-N 2 0 269.389 0.023 10 0 CCAERP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000649302089 390561219 /nfs/dbraw/zinc/56/12/19/390561219.db2.gz UHGLTSXCSADEJQ-ZIAGYGMSSA-N 2 0 281.400 0.309 10 0 CCAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649303960 390563513 /nfs/dbraw/zinc/56/35/13/390563513.db2.gz VMHFSHCDALJUNK-NEPJUHHUSA-N 2 0 257.378 0.069 10 0 CCAERP COC[C@@]1(C(=O)N[C@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000649308527 390567750 /nfs/dbraw/zinc/56/77/50/390567750.db2.gz MKOQMVQAGVZRSF-DGCLKSJQSA-N 2 0 257.378 0.211 10 0 CCAERP COC[C@]1(C(=O)NCC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000649310508 390569816 /nfs/dbraw/zinc/56/98/16/390569816.db2.gz PAQUJZGVWZAPQT-AWEZNQCLSA-N 2 0 269.389 0.213 10 0 CCAERP C[C@H](CN1CCOCC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089470 390576240 /nfs/dbraw/zinc/57/62/40/390576240.db2.gz AHKIAWBOCARQMZ-HZSPNIEDSA-N 2 0 255.406 0.685 10 0 CCAERP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000380941177 397484108 /nfs/dbraw/zinc/48/41/08/397484108.db2.gz YAUGTQWVZPKIKK-MGPQQGTHSA-N 2 0 265.401 0.914 10 0 CCAERP C[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000371559703 144336649 /nfs/dbraw/zinc/33/66/49/144336649.db2.gz KKNVXKZIDHJHAK-SCUASFONSA-N 2 0 259.353 0.580 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129716515 411720552 /nfs/dbraw/zinc/72/05/52/411720552.db2.gz LVDGCRJXGDMHHX-CYBMUJFWSA-N 2 0 282.432 0.128 10 0 CCAERP c1cc(CN2CC[NH2+]CC2)ccc1CN1CC[NH2+]CC1 ZINC000019359768 170776530 /nfs/dbraw/zinc/77/65/30/170776530.db2.gz PEHAWOHQWSLLPV-UHFFFAOYSA-N 2 0 274.412 0.497 10 0 CCAERP CCC[NH+]1CCC(C[NH3+])(N2CCO[C@H](C)C2)CC1 ZINC000019518662 170824604 /nfs/dbraw/zinc/82/46/04/170824604.db2.gz VVLJOZCVWNJTIY-CYBMUJFWSA-N 2 0 255.406 0.910 10 0 CCAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000020308979 171143438 /nfs/dbraw/zinc/14/34/38/171143438.db2.gz DYZHJPRUAVTTLC-WDEREUQCSA-N 2 0 272.393 0.670 10 0 CCAERP CC[C@](C)(C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257952 545880326 /nfs/dbraw/zinc/88/03/26/545880326.db2.gz AQHJHACYQIPLHI-GFCCVEGCSA-N 2 0 251.334 0.341 10 0 CCAERP CC(C)(CC[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258182 545880769 /nfs/dbraw/zinc/88/07/69/545880769.db2.gz JOCLTRSSIAHOSQ-UHFFFAOYSA-N 2 0 251.334 0.341 10 0 CCAERP C[NH2+]Cc1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272321 545888639 /nfs/dbraw/zinc/88/86/39/545888639.db2.gz LMQYPWNQXJBYHX-GFCCVEGCSA-N 2 0 265.361 0.471 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NCC[NH+]1CCSCC1 ZINC000225813407 544829085 /nfs/dbraw/zinc/82/90/85/544829085.db2.gz PVTSNQNKDZBRJK-LLVKDONJSA-N 2 0 259.419 0.525 10 0 CCAERP C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000251074438 544925622 /nfs/dbraw/zinc/92/56/22/544925622.db2.gz GFRNTWSOJYLPCH-HUUCEWRRSA-N 2 0 267.417 0.783 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC000252087106 544928956 /nfs/dbraw/zinc/92/89/56/544928956.db2.gz GQJWKDCJRLGSNV-XQHKEYJVSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000252923692 544931178 /nfs/dbraw/zinc/93/11/78/544931178.db2.gz KEZFVPLMOIJJCS-OLZOCXBDSA-N 2 0 281.400 0.450 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000094566901 265244525 /nfs/dbraw/zinc/24/45/25/265244525.db2.gz SVVMXYXGMYRPRN-OLZOCXBDSA-N 2 0 269.389 0.482 10 0 CCAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262299297 276075973 /nfs/dbraw/zinc/07/59/73/276075973.db2.gz ADIFQMBHPBBBGI-GJZGRUSLSA-N 2 0 291.395 0.477 10 0 CCAERP CC[N@H+](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000248629726 279052300 /nfs/dbraw/zinc/05/23/00/279052300.db2.gz OTVXNPAAFISBOX-CYZMBNFOSA-N 2 0 251.374 0.666 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000334928252 289293112 /nfs/dbraw/zinc/29/31/12/289293112.db2.gz JAUAOETVRFZMKM-QWHCGFSZSA-N 2 0 268.405 0.864 10 0 CCAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249062024 289783927 /nfs/dbraw/zinc/78/39/27/289783927.db2.gz PJJHZOHFPYFLAZ-IHRRRGAJSA-N 2 0 283.416 0.541 10 0 CCAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000085368469 295338769 /nfs/dbraw/zinc/33/87/69/295338769.db2.gz LWGCLSNRRKDQFX-UPJWGTAASA-N 2 0 251.374 0.811 10 0 CCAERP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000335063399 295343399 /nfs/dbraw/zinc/34/33/99/295343399.db2.gz URJZOILWDUFMIM-STQMWFEESA-N 2 0 259.353 0.903 10 0 CCAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1C[NH2+]C1 ZINC000335379800 297261192 /nfs/dbraw/zinc/26/11/92/297261192.db2.gz STFSJZGSFBTPPH-ZYHUDNBSSA-N 2 0 252.362 0.226 10 0 CCAERP C[C@H]1C[NH2+]C[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000111269871 300326137 /nfs/dbraw/zinc/32/61/37/300326137.db2.gz YCHBTMRZOMMJKL-LSDHHAIUSA-N 3 0 298.475 0.574 10 0 CCAERP C[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000261644919 300802924 /nfs/dbraw/zinc/80/29/24/300802924.db2.gz AZPXFHNDEAKFGZ-BZPMIXESSA-N 2 0 253.390 0.867 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334938789 303426818 /nfs/dbraw/zinc/42/68/18/303426818.db2.gz BXTYTZRRDYIKOF-CHWSQXEVSA-N 2 0 280.416 0.899 10 0 CCAERP [NH3+][C@H]1CC[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)C[C@@H]21 ZINC000248567505 303489556 /nfs/dbraw/zinc/48/95/56/303489556.db2.gz BZCPPRTYEHUJQY-WJTVCTBASA-N 2 0 251.374 0.700 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333696294 303837318 /nfs/dbraw/zinc/83/73/18/303837318.db2.gz QGZSOAQOPFMYJR-JHJVBQTASA-N 2 0 266.389 0.522 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000170862672 327668407 /nfs/dbraw/zinc/66/84/07/327668407.db2.gz AYWGSHUYWAKUAD-GFCCVEGCSA-N 2 0 254.378 0.426 10 0 CCAERP CCN(CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000580768417 335964120 /nfs/dbraw/zinc/96/41/20/335964120.db2.gz CGBPRTHBFZWPDI-CHWSQXEVSA-N 2 0 291.461 0.636 10 0 CCAERP CCO[C@@H](C[NH3+])CC[N@H+](C)CC(=O)N(CC)CC ZINC000062741079 520306566 /nfs/dbraw/zinc/30/65/66/520306566.db2.gz RNIMCTAVQWOQFD-GFCCVEGCSA-N 2 0 259.394 0.541 10 0 CCAERP C[NH+](C)CCN1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000061653809 521765073 /nfs/dbraw/zinc/76/50/73/521765073.db2.gz ZXGRIUPEWJVBLH-CABCVRRESA-N 2 0 268.449 0.683 10 0 CCAERP CC(C)(C)[NH+]1CCN(C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052571649 518710747 /nfs/dbraw/zinc/71/07/47/518710747.db2.gz CLBOVGJAZSRQGN-OLZOCXBDSA-N 2 0 255.406 0.909 10 0 CCAERP CC(C)CC[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655347 519662696 /nfs/dbraw/zinc/66/26/96/519662696.db2.gz JFRLBLNLPXAKFF-UHFFFAOYSA-N 2 0 270.465 0.801 10 0 CCAERP CC(C)C[NH2+]C[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000053012448 519746121 /nfs/dbraw/zinc/74/61/21/519746121.db2.gz MXGJVIPEIRWTRA-OAHLLOKOSA-N 2 0 269.433 0.886 10 0 CCAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000061644057 521861514 /nfs/dbraw/zinc/86/15/14/521861514.db2.gz AAUGABKSJARKRG-GFCCVEGCSA-N 2 0 269.389 0.295 10 0 CCAERP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000183673326 521882285 /nfs/dbraw/zinc/88/22/85/521882285.db2.gz BQAYHDPTDPMQNS-LBPRGKRZSA-N 2 0 292.383 0.550 10 0 CCAERP C[NH2+]C(C)(C)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000061317737 521933757 /nfs/dbraw/zinc/93/37/57/521933757.db2.gz IQMNBTKYZJCVQY-UHFFFAOYSA-N 2 0 257.378 0.165 10 0 CCAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645238 521944919 /nfs/dbraw/zinc/94/49/19/521944919.db2.gz AASQICXWMNVMHC-STQMWFEESA-N 2 0 270.421 0.066 10 0 CCAERP C[NH2+]CCS(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000049629880 522013417 /nfs/dbraw/zinc/01/34/17/522013417.db2.gz ZIBQZRUYCONJDC-UHFFFAOYSA-N 2 0 265.423 0.244 10 0 CCAERP C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H]1C[NH+](C)C ZINC000061646048 522101490 /nfs/dbraw/zinc/10/14/90/522101490.db2.gz NFORFKQZVUZDJF-LBPRGKRZSA-N 2 0 265.405 0.978 10 0 CCAERP CC[C@H](C)[NH+]1CCN([C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000055065862 523958584 /nfs/dbraw/zinc/95/85/84/523958584.db2.gz OPDWEMCZYDXKPZ-MELADBBJSA-N 2 0 255.406 0.779 10 0 CCAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055063664 523959119 /nfs/dbraw/zinc/95/91/19/523959119.db2.gz RTBZPJGLMSAFAS-GXTWGEPZSA-N 2 0 265.405 0.836 10 0 CCAERP 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UXKORZVGAWOZMU-CQSZACIVSA-N 2 0 273.421 0.001 10 0 CCAERP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543911 637062595 /nfs/dbraw/zinc/06/25/95/637062595.db2.gz NXZHFCSOJWHDCP-REWJHTLYSA-N 2 0 256.390 0.832 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000094459724 349568136 /nfs/dbraw/zinc/56/81/36/349568136.db2.gz OWVCZPJWSLVTMW-QWHCGFSZSA-N 2 0 281.400 0.450 10 0 CCAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000334937232 282265920 /nfs/dbraw/zinc/26/59/20/282265920.db2.gz LWLUZYNCSVMUKN-NEPJUHHUSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@H]1CN(CC(=O)NC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000601326120 362222493 /nfs/dbraw/zinc/22/24/93/362222493.db2.gz KDYAWGFAIBCDHR-QWRGUYRKSA-N 2 0 282.388 0.281 10 0 CCAERP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262462789 137044224 /nfs/dbraw/zinc/04/42/24/137044224.db2.gz XJWCACMDFBTWHB-AAEUAGOBSA-N 2 0 253.390 0.962 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000263128123 137058958 /nfs/dbraw/zinc/05/89/58/137058958.db2.gz BLAHNCYJNXUDEC-DZGCQCFKSA-N 2 0 257.337 0.905 10 0 CCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263283159 137062723 /nfs/dbraw/zinc/06/27/23/137062723.db2.gz UOJBZBFJTPDHDP-SIXLDLHFSA-N 2 0 289.423 0.992 10 0 CCAERP C[NH+](C)[C@H](CNC(=O)C1C[NH2+]C1)c1cccc(F)c1 ZINC000263303411 137063421 /nfs/dbraw/zinc/06/34/21/137063421.db2.gz NXBLJJYSLSTETG-CYBMUJFWSA-N 2 0 265.332 0.764 10 0 CCAERP NC(=[NH2+])NC(=[NH2+])S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000004491570 347995340 /nfs/dbraw/zinc/99/53/40/347995340.db2.gz XKKVQHXVMYRNJG-QMMMGPOBSA-N 2 0 291.336 0.470 10 0 CCAERP CO[C@H]1C[C@@H](C(=O)NCC2=CC[NH+](C)CC2)[N@H+](C)C1 ZINC000346193326 137272395 /nfs/dbraw/zinc/27/23/95/137272395.db2.gz PVMRAOYSAYSQBL-STQMWFEESA-N 2 0 267.373 0.084 10 0 CCAERP CC[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000134366533 350361444 /nfs/dbraw/zinc/36/14/44/350361444.db2.gz PYTUCDUPJMMHDT-BRZZBQFESA-N 2 0 251.374 0.918 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333919021 290934286 /nfs/dbraw/zinc/93/42/86/290934286.db2.gz ORGOIPUJECLTHJ-ZDEQEGDKSA-N 2 0 266.389 0.378 10 0 CCAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NC3CCCC3)C[C@@H]2C1 ZINC000193643387 351838613 /nfs/dbraw/zinc/83/86/13/351838613.db2.gz ZGPGDBMGBXQULR-BETUJISGSA-N 2 0 265.401 0.929 10 0 CCAERP COCC1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000234644188 352164800 /nfs/dbraw/zinc/16/48/00/352164800.db2.gz OBKSQMDLIAHHES-GFCCVEGCSA-N 2 0 269.389 0.165 10 0 CCAERP COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000234807002 352172216 /nfs/dbraw/zinc/17/22/16/352172216.db2.gz GGPKRIZGZRTQRO-BFHYXJOUSA-N 2 0 274.405 0.282 10 0 CCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000249392140 352489842 /nfs/dbraw/zinc/48/98/42/352489842.db2.gz GEQOSDHXRMKWCD-WUHRBBMRSA-N 2 0 269.389 0.208 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250211148 352503446 /nfs/dbraw/zinc/50/34/46/352503446.db2.gz CPRXTYZRPPWGKS-CHWSQXEVSA-N 2 0 253.390 0.977 10 0 CCAERP [NH3+][C@H]1COC[C@@H]1Nc1ccncc1Br ZINC000306498782 354175135 /nfs/dbraw/zinc/17/51/35/354175135.db2.gz GYWXDUKTJZJUSY-CBAPKCEASA-N 2 0 258.119 0.982 10 0 CCAERP C[NH2+]CC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000409427438 358112340 /nfs/dbraw/zinc/11/23/40/358112340.db2.gz KJTVIQJAADPJJX-UHFFFAOYSA-N 2 0 257.403 0.246 10 0 CCAERP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C12CCC2 ZINC000262074370 294034193 /nfs/dbraw/zinc/03/41/93/294034193.db2.gz CWVLZJATRCYWSA-RXGFPQBGSA-N 2 0 254.374 0.360 10 0 CCAERP Cc1cc(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000631840366 370705744 /nfs/dbraw/zinc/70/57/44/370705744.db2.gz SECWSCVGWCGPNI-GXSJLCMTSA-N 2 0 266.345 0.260 10 0 CCAERP CC(=O)Nc1ccc([C@@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616635378 365396018 /nfs/dbraw/zinc/39/60/18/365396018.db2.gz FKYFKNBSYJLKCP-AWEZNQCLSA-N 2 0 262.357 0.550 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccc3ccnnc3c2)C1 ZINC000616654697 365410023 /nfs/dbraw/zinc/41/00/23/365410023.db2.gz MVPQPPNKGNXYTP-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP CC(C)(C)OC(=O)NCC[C@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616656912 365411544 /nfs/dbraw/zinc/41/15/44/365411544.db2.gz UZUVCBWBPQEHEB-NSHDSACASA-N 2 0 272.393 0.134 10 0 CCAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262205283 295338644 /nfs/dbraw/zinc/33/86/44/295338644.db2.gz KZSPPYIXQHHUFF-OLZOCXBDSA-N 2 0 251.374 0.811 10 0 CCAERP CC[C@@H]1CN(C(=O)C[NH+](CC)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000246294060 285013735 /nfs/dbraw/zinc/01/37/35/285013735.db2.gz PAGIHLHUWHFRPW-UONOGXRCSA-N 2 0 297.443 0.774 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C)CC2)C1 ZINC000334368723 285230538 /nfs/dbraw/zinc/23/05/38/285230538.db2.gz MHESNRUQZAZUPM-CYBMUJFWSA-N 2 0 268.405 0.818 10 0 CCAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306786833 389091021 /nfs/dbraw/zinc/09/10/21/389091021.db2.gz PRKPRRMWPWAVMK-USXIJHARSA-N 2 0 289.423 0.916 10 0 CCAERP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000219944692 389138467 /nfs/dbraw/zinc/13/84/67/389138467.db2.gz OQGXWJATPHHLKJ-RYUDHWBXSA-N 2 0 253.390 0.975 10 0 CCAERP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000151290547 389276702 /nfs/dbraw/zinc/27/67/02/389276702.db2.gz PSOATKIHGQBJTJ-GXTWGEPZSA-N 2 0 266.389 0.918 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000170830567 389464145 /nfs/dbraw/zinc/46/41/45/389464145.db2.gz LZGKUHRZGXBAFF-TZMCWYRMSA-N 2 0 280.416 0.816 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000333640653 389437707 /nfs/dbraw/zinc/43/77/07/389437707.db2.gz IDQVGDPIUYPUHT-IJLUTSLNSA-N 2 0 254.378 0.507 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182354677 389707245 /nfs/dbraw/zinc/70/72/45/389707245.db2.gz QCVJWRRNQFBUAJ-GJZGRUSLSA-N 2 0 296.459 0.598 10 0 CCAERP COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649328099 390586287 /nfs/dbraw/zinc/58/62/87/390586287.db2.gz XJMMOFMIADJPIW-TZMCWYRMSA-N 2 0 267.373 0.062 10 0 CCAERP COC[C@@]1(C(=O)NC2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000643773700 390540186 /nfs/dbraw/zinc/54/01/86/390540186.db2.gz POSGUWBQJMWTOE-OAHLLOKOSA-N 2 0 283.416 0.744 10 0 CCAERP CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649280960 390548586 /nfs/dbraw/zinc/54/85/86/390548586.db2.gz YKTWQFDZOQFKDD-GFCCVEGCSA-N 2 0 269.389 0.213 10 0 CCAERP COC[C@@]1(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCC[NH2+]1 ZINC000649298869 390559110 /nfs/dbraw/zinc/55/91/10/390559110.db2.gz DGLKIIZQBVAUGJ-UKRRQHHQSA-N 2 0 285.432 0.848 10 0 CCAERP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000649304880 390563847 /nfs/dbraw/zinc/56/38/47/390563847.db2.gz KVNMEQZDTPUUJP-ZFWWWQNUSA-N 2 0 283.416 0.602 10 0 CCAERP C[C@H](CN1CCOCC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089473 390576099 /nfs/dbraw/zinc/57/60/99/390576099.db2.gz AHKIAWBOCARQMZ-RDBSUJKOSA-N 2 0 255.406 0.685 10 0 CCAERP C[NH+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616571140 411840836 /nfs/dbraw/zinc/84/08/36/411840836.db2.gz JTGDZABKJAFEPB-SFYZADRCSA-N 2 0 253.268 0.205 10 0 CCAERP CC[NH+]1CCN([C@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC000020442257 171205339 /nfs/dbraw/zinc/20/53/39/171205339.db2.gz QYVAMLKOHSZNNO-CQSZACIVSA-N 2 0 252.406 0.047 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653110445 412222281 /nfs/dbraw/zinc/22/22/81/412222281.db2.gz JBDPELFLGZBXBD-GMTAPVOTSA-N 2 0 293.333 0.842 10 0 CCAERP C[NH+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653139796 412240104 /nfs/dbraw/zinc/24/01/04/412240104.db2.gz XJAYNOKJQALLTP-HTQZYQBOSA-N 2 0 253.268 0.062 10 0 CCAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000037363632 173152218 /nfs/dbraw/zinc/15/22/18/173152218.db2.gz QFWBRVUXACRFJD-CQSZACIVSA-N 2 0 261.369 0.869 10 0 CCAERP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851601 414842614 /nfs/dbraw/zinc/84/26/14/414842614.db2.gz BXJZGQGIVNXCIX-WFASDCNBSA-N 2 0 283.416 0.744 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662852418 414842704 /nfs/dbraw/zinc/84/27/04/414842704.db2.gz KENNLPPWQYOYOW-NEPJUHHUSA-N 2 0 269.389 0.211 10 0 CCAERP C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000665230874 415570440 /nfs/dbraw/zinc/57/04/40/415570440.db2.gz XKXXWZKBOLQANY-RYUDHWBXSA-N 2 0 277.434 0.246 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000665275384 415583301 /nfs/dbraw/zinc/58/33/01/415583301.db2.gz JOOOJEHCXOPSFY-GHMZBOCLSA-N 2 0 260.403 0.541 10 0 CCAERP CN(CC[NH2+]C1CCOCC1)C[C@H]1CC[N@H+](C)C1 ZINC000071192282 176074030 /nfs/dbraw/zinc/07/40/30/176074030.db2.gz WHDPEXXXXVLMLE-ZDUSSCGKSA-N 2 0 255.406 0.639 10 0 CCAERP CCOCCC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC000071576828 176204708 /nfs/dbraw/zinc/20/47/08/176204708.db2.gz WLHOQNNQFGZETH-UHFFFAOYSA-N 2 0 255.406 0.783 10 0 CCAERP c1cc(NCC[C@H]2CSCC[NH2+]2)n(C2C[NH2+]C2)n1 ZINC000725257986 545879759 /nfs/dbraw/zinc/87/97/59/545879759.db2.gz BVZDFBPQTZKHRQ-JTQLQIEISA-N 2 0 267.402 0.534 10 0 CCAERP [NH3+]C[C@@H]1[C@H](CNc2ccnn2C2C[NH2+]C2)C1(F)F ZINC000725259492 545881577 /nfs/dbraw/zinc/88/15/77/545881577.db2.gz CLURWRCPDIJPFB-BDAKNGLRSA-N 2 0 257.288 0.279 10 0 CCAERP C[NH+](C)C[C@H](NC(=O)COCC[NH3+])c1ccccc1 ZINC000093231873 544540325 /nfs/dbraw/zinc/54/03/25/544540325.db2.gz YKLVIUSHZLVZRR-ZDUSSCGKSA-N 2 0 265.357 0.381 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000094459970 544544593 /nfs/dbraw/zinc/54/45/93/544544593.db2.gz ALOZUOLBHBCHHU-LOWDOPEQSA-N 2 0 251.374 0.809 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000136364213 544639553 /nfs/dbraw/zinc/63/95/53/544639553.db2.gz IPFWZTKWKRDOLD-DGCLKSJQSA-N 2 0 253.390 0.960 10 0 CCAERP C[NH+](C)CCOCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000234262196 544867142 /nfs/dbraw/zinc/86/71/42/544867142.db2.gz 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ZINC000171588061 280106110 /nfs/dbraw/zinc/10/61/10/280106110.db2.gz MUOFIFGBHXCAOB-ZIAGYGMSSA-N 2 0 299.459 0.926 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000095088015 280272459 /nfs/dbraw/zinc/27/24/59/280272459.db2.gz XUXCIOSNEHZUNR-LBPRGKRZSA-N 2 0 253.390 0.914 10 0 CCAERP CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[C@@H]1[NH3+] ZINC000335294342 281182523 /nfs/dbraw/zinc/18/25/23/281182523.db2.gz LDTOHAMIZSKADW-VHSXEESVSA-N 2 0 290.358 0.752 10 0 CCAERP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1[NH+](C)C ZINC000310939435 297010935 /nfs/dbraw/zinc/01/09/35/297010935.db2.gz KSYAEYYOLIFXIO-KWCYVHTRSA-N 2 0 255.406 0.323 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)O1 ZINC000094571811 295274715 /nfs/dbraw/zinc/27/47/15/295274715.db2.gz OIKYRTWBSVQFIS-MJBXVCDLSA-N 2 0 281.400 0.580 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000335386044 303747697 /nfs/dbraw/zinc/74/76/97/303747697.db2.gz IODYGSQOAXHJNL-GFCCVEGCSA-N 2 0 252.362 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O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000251155706 649805804 /nfs/dbraw/zinc/80/58/04/649805804.db2.gz KSSJJJNLNCRBEM-RRFJBIMHSA-N 2 0 295.427 0.746 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252651477 649830622 /nfs/dbraw/zinc/83/06/22/649830622.db2.gz OLQHRMIRGOADRA-FQUUOJAGSA-N 2 0 281.400 0.354 10 0 CCAERP CCC[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)[NH+](C)C ZINC000153129104 290674200 /nfs/dbraw/zinc/67/42/00/290674200.db2.gz GSPSJLGMHYQNLX-AWEZNQCLSA-N 2 0 285.432 0.680 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261913805 300572397 /nfs/dbraw/zinc/57/23/97/300572397.db2.gz XXMGHCZPOQDNOQ-QNWHQSFQSA-N 2 0 253.390 0.960 10 0 CCAERP O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000262432674 137043390 /nfs/dbraw/zinc/04/33/90/137043390.db2.gz BVDKFQZYYPJBJV-RISCZKNCSA-N 2 0 295.333 0.746 10 0 CCAERP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262465774 137044059 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UAQPCFQKJXJBHX-UHFFFAOYSA-N 2 0 259.151 0.850 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000335403612 354996149 /nfs/dbraw/zinc/99/61/49/354996149.db2.gz KYOWJUIFYWWWRM-CYBMUJFWSA-N 2 0 266.389 0.618 10 0 CCAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000193310191 296016924 /nfs/dbraw/zinc/01/69/24/296016924.db2.gz STRXJKQNENGLQA-KGLIPLIRSA-N 2 0 283.416 0.685 10 0 CCAERP C[C@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)C[C@@H]1C[NH3+] ZINC000631844168 370709900 /nfs/dbraw/zinc/70/99/00/370709900.db2.gz VNCWXOURVLAHLW-RYUDHWBXSA-N 2 0 272.352 0.721 10 0 CCAERP CC(C)(C)OC(=O)NCC[C@@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616634540 365393751 /nfs/dbraw/zinc/39/37/51/365393751.db2.gz UZUVCBWBPQEHEB-LLVKDONJSA-N 2 0 272.393 0.134 10 0 CCAERP C[NH+](C)C[C@H]1CN(C(=O)c2conc2C(C)(C)[NH3+])CCO1 ZINC000565214900 291361464 /nfs/dbraw/zinc/36/14/64/291361464.db2.gz QKWPCENHMCGBAI-JTQLQIEISA-N 2 0 296.371 0.271 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCCCCC2)O1 ZINC000261931037 295274898 /nfs/dbraw/zinc/27/48/98/295274898.db2.gz ZVYVLVJFRFWNGZ-KGLIPLIRSA-N 2 0 283.416 0.875 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000334884093 207241964 /nfs/dbraw/zinc/24/19/64/207241964.db2.gz PAODEVXIZKBAMU-GFCCVEGCSA-N 2 0 268.405 0.863 10 0 CCAERP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000219944755 389138376 /nfs/dbraw/zinc/13/83/76/389138376.db2.gz OQGXWJATPHHLKJ-NWDGAFQWSA-N 2 0 253.390 0.975 10 0 CCAERP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000245432858 389206883 /nfs/dbraw/zinc/20/68/83/389206883.db2.gz OUGHLLJJBZRSCU-UONOGXRCSA-N 2 0 285.432 0.632 10 0 CCAERP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1[NH3+] ZINC000333542655 389421646 /nfs/dbraw/zinc/42/16/46/389421646.db2.gz JLHPHIRMORZFGD-RKFYDKJMSA-N 2 0 280.416 0.990 10 0 CCAERP C[N@H+](CC1CCS(=O)(=O)CC1)[C@H]1CCC[NH2+]CC1 ZINC000647912997 390216963 /nfs/dbraw/zinc/21/69/63/390216963.db2.gz WNUDVQDJVYESAX-ZDUSSCGKSA-N 2 0 274.430 0.885 10 0 CCAERP CC(C)[NH+](CCNC(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000649276952 390545890 /nfs/dbraw/zinc/54/58/90/390545890.db2.gz VTFNBUINUZZPTB-CYBMUJFWSA-N 2 0 271.405 0.457 10 0 CCAERP COC[C@]1(C(=O)NCCCC[NH+](C)C)CCC[NH2+]1 ZINC000649295409 390556273 /nfs/dbraw/zinc/55/62/73/390556273.db2.gz HSLLRFDUFFMBFH-ZDUSSCGKSA-N 2 0 257.378 0.213 10 0 CCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649318452 390575731 /nfs/dbraw/zinc/57/57/31/390575731.db2.gz LRPVDSOXDSEEIT-OCCSQVGLSA-N 2 0 271.405 0.602 10 0 CCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649318489 390576433 /nfs/dbraw/zinc/57/64/33/390576433.db2.gz PCRILRMCOVZELK-NEPJUHHUSA-N 2 0 257.378 0.069 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646140805 390616643 /nfs/dbraw/zinc/61/66/43/390616643.db2.gz XPEGNXVYQXUIOA-VXGBXAGGSA-N 2 0 253.390 0.927 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335843216 304432877 /nfs/dbraw/zinc/43/28/77/304432877.db2.gz LRYCMHHEWHFVME-ZDUSSCGKSA-N 2 0 265.401 0.978 10 0 CCAERP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1[NH3+] ZINC000334927115 296828113 /nfs/dbraw/zinc/82/81/13/296828113.db2.gz TUWLHXSZRBFOJJ-MNOVXSKESA-N 2 0 254.378 0.637 10 0 CCAERP NC(=O)C1CC[NH+](Cc2cc(C[NH3+])ccc2F)CC1 ZINC000019277035 170769581 /nfs/dbraw/zinc/76/95/81/170769581.db2.gz OULQLDAFIIPTKW-UHFFFAOYSA-N 2 0 265.332 0.982 10 0 CCAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000020308970 171143406 /nfs/dbraw/zinc/14/34/06/171143406.db2.gz DYZHJPRUAVTTLC-MNOVXSKESA-N 2 0 272.393 0.670 10 0 CCAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)C1Cc2ccccc2C1 ZINC000038031130 174024867 /nfs/dbraw/zinc/02/48/67/174024867.db2.gz XSLOVRBNUBXRPV-UHFFFAOYSA-N 2 0 273.380 0.517 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662593581 414731400 /nfs/dbraw/zinc/73/14/00/414731400.db2.gz PLBLPZHLGGNBLN-VXGBXAGGSA-N 2 0 253.390 0.833 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071189833 176065983 /nfs/dbraw/zinc/06/59/83/176065983.db2.gz ZQLNSFHMSBRFBG-STQMWFEESA-N 2 0 253.390 0.786 10 0 CCAERP CN(Cc1csc(C[NH3+])n1)C[C@H]1CC[N@H+](C)C1 ZINC000071191804 176072554 /nfs/dbraw/zinc/07/25/54/176072554.db2.gz DOTJUPIITCRTMF-JTQLQIEISA-N 2 0 254.403 0.985 10 0 CCAERP CC[NH+]1CCN([C@@H](CC[NH3+])C[NH+]2CCCCC2)CC1 ZINC000076705779 177065492 /nfs/dbraw/zinc/06/54/92/177065492.db2.gz IHDKRIWZTPQNMA-HNNXBMFYSA-N 3 0 268.449 0.827 10 0 CCAERP C[C@@H]1CCN(C(=O)CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000261661586 287520010 /nfs/dbraw/zinc/52/00/10/287520010.db2.gz CANCYATYCYJOLD-DGCLKSJQSA-N 2 0 253.390 0.962 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089456813 544513487 /nfs/dbraw/zinc/51/34/87/544513487.db2.gz JQJGWLRIWRXTBM-XQQFMLRXSA-N 2 0 251.374 0.668 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C ZINC000246216206 544908682 /nfs/dbraw/zinc/90/86/82/544908682.db2.gz GFTOBRXBMIBOPG-QWRGUYRKSA-N 2 0 257.378 0.027 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250659485 544924305 /nfs/dbraw/zinc/92/43/05/544924305.db2.gz PFQMAKIEJGTLKO-DYEKYZERSA-N 2 0 265.401 0.962 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H]1C[NH2+]CCO1 ZINC000251717177 544927403 /nfs/dbraw/zinc/92/74/03/544927403.db2.gz JSOZUKSUZFQGPG-MGPQQGTHSA-N 2 0 253.390 0.533 10 0 CCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261710660 544937266 /nfs/dbraw/zinc/93/72/66/544937266.db2.gz JFMGRSRKECWANO-RBSFLKMASA-N 2 0 297.443 0.834 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000311020634 545011528 /nfs/dbraw/zinc/01/15/28/545011528.db2.gz LPIDAJFRYRQWPZ-KGLIPLIRSA-N 2 0 258.406 0.924 10 0 CCAERP C[C@@]1(CNC(=O)N2CCC3(CC[NH2+]3)CC2)CCC[NH2+]C1 ZINC000333316055 545039210 /nfs/dbraw/zinc/03/92/10/545039210.db2.gz STVLWWQCYALVOI-CQSZACIVSA-N 2 0 280.416 0.914 10 0 CCAERP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)[C@@H]1CC[NH2+]C1 ZINC000333597910 545040608 /nfs/dbraw/zinc/04/06/08/545040608.db2.gz PYROOBDLGIEFJQ-UNJBNNCHSA-N 2 0 264.373 0.838 10 0 CCAERP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000408095735 288079796 /nfs/dbraw/zinc/07/97/96/288079796.db2.gz PRKPHWJYXGYSDS-JHJVBQTASA-N 2 0 289.445 0.340 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246193419 279333087 /nfs/dbraw/zinc/33/30/87/279333087.db2.gz MNGCFSDJPUZGKM-KBPBESRZSA-N 2 0 298.431 0.443 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC000333502182 279557136 /nfs/dbraw/zinc/55/71/36/279557136.db2.gz HWCSXTYRSXNZOM-QJPTWQEYSA-N 2 0 299.382 0.638 10 0 CCAERP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000334928249 289370693 /nfs/dbraw/zinc/37/06/93/289370693.db2.gz JAUAOETVRFZMKM-OLZOCXBDSA-N 2 0 268.405 0.864 10 0 CCAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000334937234 289393279 /nfs/dbraw/zinc/39/32/79/289393279.db2.gz LWLUZYNCSVMUKN-RYUDHWBXSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000333713391 290547000 /nfs/dbraw/zinc/54/70/00/290547000.db2.gz SPYVGUQUFOZKPJ-TUAOUCFPSA-N 2 0 254.378 0.507 10 0 CCAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000085368813 295338750 /nfs/dbraw/zinc/33/87/50/295338750.db2.gz JFRSDTXZRYCITM-OLZOCXBDSA-N 2 0 251.374 0.668 10 0 CCAERP CC[NH2+][C@@H](CCN1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000062523650 520087613 /nfs/dbraw/zinc/08/76/13/520087613.db2.gz FIBQGOFKQDZPCC-LBPRGKRZSA-N 2 0 270.421 0.256 10 0 CCAERP CCO[C@@H]1CCC[N@H+](CCn2cc(C[NH2+]C)nn2)C1 ZINC000052372213 520320810 /nfs/dbraw/zinc/32/08/10/520320810.db2.gz PYXOVPVVKNTUHL-CYBMUJFWSA-N 2 0 267.377 0.498 10 0 CCAERP CCC[NH2+][C@H](CN1CC[NH+]([C@H](C)CC)CC1)C(N)=O ZINC000055070544 520081891 /nfs/dbraw/zinc/08/18/91/520081891.db2.gz CPXZPZUFZJFRBR-CHWSQXEVSA-N 2 0 270.421 0.256 10 0 CCAERP C[C@H]1CC[C@H](C(=O)N2CCC[N@H+](C)CC2)C[C@@H]1[NH3+] ZINC000055124301 524379572 /nfs/dbraw/zinc/37/95/72/524379572.db2.gz CRTHAGSQIIBKNO-AVGNSLFASA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H]1CC[C@@H](C(=O)N2CCC[N@H+](C)CC2)C[C@@H]1[NH3+] ZINC000055124303 524555031 /nfs/dbraw/zinc/55/50/31/524555031.db2.gz CRTHAGSQIIBKNO-UPJWGTAASA-N 2 0 253.390 0.914 10 0 CCAERP [NH3+]Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061710169 527256113 /nfs/dbraw/zinc/25/61/13/527256113.db2.gz UKQALMJBXINFSW-ZDUSSCGKSA-N 2 0 263.341 0.541 10 0 CCAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)ccc1F ZINC000262311627 535990077 /nfs/dbraw/zinc/99/00/77/535990077.db2.gz BLLHFPPNCVHHHT-JSGCOSHPSA-N 2 0 295.358 0.226 10 0 CCAERP C[NH2+]C[C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000263301450 536461473 /nfs/dbraw/zinc/46/14/73/536461473.db2.gz ZHOYHETZQGDYEQ-QWHCGFSZSA-N 2 0 283.416 0.554 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311251100 623682490 /nfs/dbraw/zinc/68/24/90/623682490.db2.gz FAMHNKYFGYCFEU-HUUCEWRRSA-N 2 0 269.433 0.859 10 0 CCAERP CCCCOC[C@H](O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312959846 625696367 /nfs/dbraw/zinc/69/63/67/625696367.db2.gz MWHYNWQDXPKILI-HUUCEWRRSA-N 2 0 285.432 0.144 10 0 CCAERP CC(C)OC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250583689 649776508 /nfs/dbraw/zinc/77/65/08/649776508.db2.gz LARZTTIVRWDAKU-PIGZVRMJSA-N 2 0 256.390 0.987 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758132 349776118 /nfs/dbraw/zinc/77/61/18/349776118.db2.gz YUDZNTRZNGWMPN-GFCCVEGCSA-N 2 0 269.389 0.356 10 0 CCAERP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261687503 137015396 /nfs/dbraw/zinc/01/53/96/137015396.db2.gz HIFURSIQAOPCQH-KGLIPLIRSA-N 2 0 277.368 0.480 10 0 CCAERP COc1ccc([C@H](C)C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263142267 137059089 /nfs/dbraw/zinc/05/90/89/137059089.db2.gz CJWLYTRKNFKZQU-ZLDLUXBVSA-N 2 0 264.369 0.969 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000261882904 137024121 /nfs/dbraw/zinc/02/41/21/137024121.db2.gz UJEUIJYLIJLDJM-YIYPIFLZSA-N 2 0 265.401 0.866 10 0 CCAERP CN(C(=O)C1C[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000262264917 137033488 /nfs/dbraw/zinc/03/34/88/137033488.db2.gz RWMHDVNVOPZOTN-UHFFFAOYSA-N 2 0 291.399 0.025 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000062972145 348673452 /nfs/dbraw/zinc/67/34/52/348673452.db2.gz XIXUCJCUTCEKKV-CHWSQXEVSA-N 2 0 253.390 0.929 10 0 CCAERP [NH3+]CC1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000062976482 348674516 /nfs/dbraw/zinc/67/45/16/348674516.db2.gz ZSZSKPXCHWTMBI-ZDUSSCGKSA-N 2 0 281.400 0.439 10 0 CCAERP Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CN2 ZINC000069327530 348840389 /nfs/dbraw/zinc/84/03/89/348840389.db2.gz VLOVPPYMCJRVGY-UONOGXRCSA-N 2 0 293.415 0.280 10 0 CCAERP [NH3+]C1(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000237886839 352287122 /nfs/dbraw/zinc/28/71/22/352287122.db2.gz IUDFCNIGFFCBEO-CQSZACIVSA-N 2 0 295.427 0.829 10 0 CCAERP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000333358166 354756945 /nfs/dbraw/zinc/75/69/45/354756945.db2.gz KRTIULIMRXNWEZ-VXGBXAGGSA-N 2 0 268.405 0.910 10 0 CCAERP C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000333632956 354766978 /nfs/dbraw/zinc/76/69/78/354766978.db2.gz GXPCUXGXRNOVLR-FRRDWIJNSA-N 2 0 268.405 0.755 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000335378291 354994670 /nfs/dbraw/zinc/99/46/70/354994670.db2.gz KWIFCWJMZGCRGW-BXUZGUMPSA-N 2 0 278.400 0.617 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000333919898 283277023 /nfs/dbraw/zinc/27/70/23/283277023.db2.gz PMRZURYDHKAJQK-CQSZACIVSA-N 2 0 285.355 0.265 10 0 CCAERP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000404962263 357822179 /nfs/dbraw/zinc/82/21/79/357822179.db2.gz QIYLCJFQHYBILR-QWHCGFSZSA-N 2 0 253.390 0.929 10 0 CCAERP NC(=[NH2+])NCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000584605004 359179031 /nfs/dbraw/zinc/17/90/31/359179031.db2.gz YNJRRIQWJRCBIH-UHFFFAOYSA-N 2 0 261.373 0.682 10 0 CCAERP CC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000616602969 365382226 /nfs/dbraw/zinc/38/22/26/365382226.db2.gz DADYVVGXFHGXAF-AWEZNQCLSA-N 2 0 262.357 0.550 10 0 CCAERP CC(=O)Nc1ccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)cc1 ZINC000616634569 365394237 /nfs/dbraw/zinc/39/42/37/365394237.db2.gz VKCWELQBHFQVSE-AWEZNQCLSA-N 2 0 262.357 0.550 10 0 CCAERP C[NH+]1CCC(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634766400 372214307 /nfs/dbraw/zinc/21/43/07/372214307.db2.gz FEEYUUZXYPZGLX-ZFWWWQNUSA-N 2 0 265.401 0.834 10 0 CCAERP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333832320 205750558 /nfs/dbraw/zinc/75/05/58/205750558.db2.gz MSMTWRQXKHBGOS-GFCCVEGCSA-N 2 0 268.405 0.770 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334257378 206266368 /nfs/dbraw/zinc/26/63/68/206266368.db2.gz NCRBRGPKTPTJNT-ZDUSSCGKSA-N 2 0 280.416 0.960 10 0 CCAERP CC(C)N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1=O ZINC000571055517 291787806 /nfs/dbraw/zinc/78/78/06/291787806.db2.gz LEXHFGCYVAMGRX-AVGNSLFASA-N 2 0 253.390 0.973 10 0 CCAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000189208883 388951184 /nfs/dbraw/zinc/95/11/84/388951184.db2.gz KKFFZVOEDNDIOB-GRYCIOLGSA-N 2 0 257.378 0.210 10 0 CCAERP COC(=O)CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915580 389088559 /nfs/dbraw/zinc/08/85/59/389088559.db2.gz WUQZROGKZPEXSJ-NSHDSACASA-N 2 0 258.362 0.184 10 0 CCAERP COC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195287764 389121856 /nfs/dbraw/zinc/12/18/56/389121856.db2.gz MKPJFIJMZKNEPR-JKSUJKDBSA-N 2 0 293.411 0.843 10 0 CCAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000344120337 389278542 /nfs/dbraw/zinc/27/85/42/389278542.db2.gz ZLEMBLPWFCSYTI-JHJVBQTASA-N 2 0 268.401 0.846 10 0 CCAERP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1[NH3+] ZINC000333542652 389421365 /nfs/dbraw/zinc/42/13/65/389421365.db2.gz JLHPHIRMORZFGD-JWURUJNWSA-N 2 0 280.416 0.990 10 0 CCAERP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1[NH3+] ZINC000333687387 389440271 /nfs/dbraw/zinc/44/02/71/389440271.db2.gz CFEGHCSIPFKOPO-XBFCOCLRSA-N 2 0 280.416 0.992 10 0 CCAERP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000333916058 389449120 /nfs/dbraw/zinc/44/91/20/389449120.db2.gz NANZNASOKJDYSL-KBPBESRZSA-N 2 0 298.431 0.081 10 0 CCAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649276645 390544695 /nfs/dbraw/zinc/54/46/95/390544695.db2.gz VHWXCBAZTWGUHS-ZIAGYGMSSA-N 2 0 285.432 0.849 10 0 CCAERP COC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000649293968 390555665 /nfs/dbraw/zinc/55/56/65/390555665.db2.gz UONIJZLJBHYXKS-ZFWWWQNUSA-N 2 0 283.416 0.746 10 0 CCAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649304030 390563752 /nfs/dbraw/zinc/56/37/52/390563752.db2.gz ZSOMXOQUOBLHDK-OCCSQVGLSA-N 2 0 271.405 0.602 10 0 CCAERP COC[C@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000649316916 390574992 /nfs/dbraw/zinc/57/49/92/390574992.db2.gz ZBOHWCBGVKIDRM-ZFWWWQNUSA-N 2 0 281.400 0.452 10 0 CCAERP C[NH+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616571184 411841573 /nfs/dbraw/zinc/84/15/73/411841573.db2.gz PPZQHIHMOUCYDJ-KGLIPLIRSA-N 2 0 279.359 0.949 10 0 CCAERP Cc1noc(C)c1C[NH2+]CCN1CC[NH+](C)CC1 ZINC000037496824 173235556 /nfs/dbraw/zinc/23/55/56/173235556.db2.gz AYPMRDRNHVZMTP-UHFFFAOYSA-N 2 0 252.362 0.628 10 0 CCAERP C[N@H+](CCCn1ccc(N)n1)C[C@@H]1CC[NH+](C)C1 ZINC000071352573 176135459 /nfs/dbraw/zinc/13/54/59/176135459.db2.gz AJPMJOBKPDHUAK-LBPRGKRZSA-N 2 0 251.378 0.739 10 0 CCAERP c1cc(NC[C@H]2CSCC[NH2+]2)n(C2C[NH2+]C2)n1 ZINC000725258011 545880865 /nfs/dbraw/zinc/88/08/65/545880865.db2.gz CWASLOYRZMMEHS-VIFPVBQESA-N 2 0 253.375 0.144 10 0 CCAERP CCC[C@@](C)([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258135 545879892 /nfs/dbraw/zinc/87/98/92/545879892.db2.gz HUWKLDCSTLHESN-GFCCVEGCSA-N 2 0 251.334 0.483 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)COCC[NH3+] ZINC000094447072 544544218 /nfs/dbraw/zinc/54/42/18/544544218.db2.gz SZUUGBDLRCMPMS-VXGBXAGGSA-N 2 0 255.362 0.047 10 0 CCAERP C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)N1CCOCC1 ZINC000164913032 544720691 /nfs/dbraw/zinc/72/06/91/544720691.db2.gz MHLXICSDZYUITB-JTQLQIEISA-N 2 0 267.329 0.189 10 0 CCAERP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262075441 544939021 /nfs/dbraw/zinc/93/90/21/544939021.db2.gz CADNZXYDKYNDNS-ZIAGYGMSSA-N 2 0 277.368 0.058 10 0 CCAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ncnn3C2)[C@@H](C)C1 ZINC000246303462 276231553 /nfs/dbraw/zinc/23/15/53/276231553.db2.gz DFYHKLFYAICGIS-AVGNSLFASA-N 2 0 263.389 0.913 10 0 CCAERP CC(C)C[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[NH+](C)C ZINC000164400794 278987315 /nfs/dbraw/zinc/98/73/15/278987315.db2.gz SVIDZWMDEKINFE-AAEUAGOBSA-N 2 0 255.406 0.934 10 0 CCAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000261733326 289054792 /nfs/dbraw/zinc/05/47/92/289054792.db2.gz LDYNIVUROVGIPM-CHWSQXEVSA-N 2 0 283.416 0.588 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)[C@@H]2C1 ZINC000333817395 290153001 /nfs/dbraw/zinc/15/30/01/290153001.db2.gz KIFBYMJMGVFQRF-JHJVBQTASA-N 2 0 266.389 0.459 10 0 CCAERP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333667188 294610510 /nfs/dbraw/zinc/61/05/10/294610510.db2.gz MMEKYXGEXARSPE-IHRRRGAJSA-N 2 0 296.415 0.243 10 0 CCAERP [NH3+][C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000262022343 295327240 /nfs/dbraw/zinc/32/72/40/295327240.db2.gz OVTKKFGLFQSKOJ-HNNXBMFYSA-N 2 0 295.427 0.827 10 0 CCAERP O=C(CCN1CCC([NH+]2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000262117137 295473348 /nfs/dbraw/zinc/47/33/48/295473348.db2.gz MZQQOCTVEDEVNA-UHFFFAOYSA-N 2 0 294.443 0.369 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000262526231 295604728 /nfs/dbraw/zinc/60/47/28/295604728.db2.gz GRNGXJKHJIVBIS-GARJFASQSA-N 2 0 291.486 0.571 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1([NH3+])CC1 ZINC000398102432 545088989 /nfs/dbraw/zinc/08/89/89/545088989.db2.gz UDUUGLFDSPTXHM-NWDGAFQWSA-N 2 0 251.374 0.953 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000389615545 545086950 /nfs/dbraw/zinc/08/69/50/545086950.db2.gz ZEILJXXODOEVQT-ZDUSSCGKSA-N 2 0 282.432 0.271 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333647507 303465086 /nfs/dbraw/zinc/46/50/86/303465086.db2.gz JGWPTVOUKWRCRC-RVMXOQNASA-N 2 0 266.389 0.507 10 0 CCAERP CCN(CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000580768418 335964147 /nfs/dbraw/zinc/96/41/47/335964147.db2.gz CGBPRTHBFZWPDI-OLZOCXBDSA-N 2 0 291.461 0.636 10 0 CCAERP C(CN1CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565573 518387729 /nfs/dbraw/zinc/38/77/29/518387729.db2.gz XSAKMFOJTBOYMU-KGLIPLIRSA-N 2 0 253.390 0.535 10 0 CCAERP CC(C)(C)[NH+]1CCN(C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052571650 518711340 /nfs/dbraw/zinc/71/13/40/518711340.db2.gz CLBOVGJAZSRQGN-CHWSQXEVSA-N 2 0 255.406 0.909 10 0 CCAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055077014 519727523 /nfs/dbraw/zinc/72/75/23/519727523.db2.gz SBKNYDVXDMBAQJ-AWEZNQCLSA-N 2 0 265.405 0.694 10 0 CCAERP CC[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](CC)CC2)O1 ZINC000052422486 519981639 /nfs/dbraw/zinc/98/16/39/519981639.db2.gz MWERYMWATXSYJY-ZIAGYGMSSA-N 2 0 255.406 0.781 10 0 CCAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061271379 520165347 /nfs/dbraw/zinc/16/53/47/520165347.db2.gz LYQHRUMIRLIOIZ-NEPJUHHUSA-N 2 0 253.390 0.975 10 0 CCAERP C[NH2+]Cc1cc(CN2CC[NH+](C(C)C)CC2)on1 ZINC000052480051 522106320 /nfs/dbraw/zinc/10/63/20/522106320.db2.gz XBNLQVKJFJFBPQ-UHFFFAOYSA-N 2 0 252.362 0.920 10 0 CCAERP COC[C@@H](C)[NH2+]CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974524 522250995 /nfs/dbraw/zinc/25/09/95/522250995.db2.gz PJWKEUBYTCRNHP-KGLIPLIRSA-N 2 0 255.406 0.781 10 0 CCAERP C[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](C2CCCC2)CC1 ZINC000052061340 522394729 /nfs/dbraw/zinc/39/47/29/522394729.db2.gz HBVWVYXEDLZZMG-CABCVRRESA-N 2 0 267.417 0.924 10 0 CCAERP C[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](C)CC2)C[C@@H]1[NH3+] ZINC000055124298 524630188 /nfs/dbraw/zinc/63/01/88/524630188.db2.gz CRTHAGSQIIBKNO-AGIUHOORSA-N 2 0 253.390 0.914 10 0 CCAERP Cc1nccn1CC[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000049329600 527426418 /nfs/dbraw/zinc/42/64/18/527426418.db2.gz NFAARRXXEPAGLC-UHFFFAOYSA-N 2 0 251.378 0.158 10 0 CCAERP C[C@@H]([NH2+]C1CCN(CCO)CC1)C1CC[NH+](C)CC1 ZINC000399000297 581207083 /nfs/dbraw/zinc/20/70/83/581207083.db2.gz RXEVCGIQVGKCAQ-CYBMUJFWSA-N 2 0 269.433 0.763 10 0 CCAERP C[C@]1(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000222905331 636886233 /nfs/dbraw/zinc/88/62/33/636886233.db2.gz MWEUOTKTPUWXCS-CABCVRRESA-N 2 0 267.417 0.783 10 0 CCAERP COC[C@H](C)OC[C@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226468817 636985714 /nfs/dbraw/zinc/98/57/14/636985714.db2.gz SORCNXLGEFBIRM-BFHYXJOUSA-N 2 0 274.405 0.473 10 0 CCAERP CC[C@@H]1CN(C(=O)CCCCC[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000249087879 649740683 /nfs/dbraw/zinc/74/06/83/649740683.db2.gz UETMPBQLPZRBSF-UONOGXRCSA-N 2 0 285.432 0.809 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000090954328 349445504 /nfs/dbraw/zinc/44/55/04/349445504.db2.gz XECDIODDAPDDEI-VIFPVBQESA-N 2 0 268.386 0.420 10 0 CCAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000111270805 349769341 /nfs/dbraw/zinc/76/93/41/349769341.db2.gz DWIFCEIXYKIYQF-FRRDWIJNSA-N 2 0 253.390 0.688 10 0 CCAERP COc1c(C)cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000263151916 137059212 /nfs/dbraw/zinc/05/92/12/137059212.db2.gz DBZASCDMOZLRLQ-UONOGXRCSA-N 2 0 264.369 0.982 10 0 CCAERP C[NH2+]CCC1CCN(C(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000262006101 137027942 /nfs/dbraw/zinc/02/79/42/137027942.db2.gz GVWOQBRPYXCEOI-CYBMUJFWSA-N 2 0 283.416 0.555 10 0 CCAERP C[C@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)C1CC[NH2+]CC1 ZINC000263312601 137063887 /nfs/dbraw/zinc/06/38/87/137063887.db2.gz YZHNUPAWHRYPIQ-YPMHNXCESA-N 2 0 293.415 0.824 10 0 CCAERP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000037766059 348202366 /nfs/dbraw/zinc/20/23/66/348202366.db2.gz OCOFPFBDJFSFIY-OCCSQVGLSA-N 2 0 293.367 0.288 10 0 CCAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129743405 350222101 /nfs/dbraw/zinc/22/21/01/350222101.db2.gz RBTFSRKWCYYVFG-AWEZNQCLSA-N 2 0 296.459 0.613 10 0 CCAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCn2ccnc2)C1 ZINC000130793023 350248714 /nfs/dbraw/zinc/24/87/14/350248714.db2.gz DKMSCYCXLVXKKD-OLZOCXBDSA-N 2 0 279.388 0.911 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000168420818 350825865 /nfs/dbraw/zinc/82/58/65/350825865.db2.gz LXGBKIYREUDZHF-YPMHNXCESA-N 2 0 257.353 0.631 10 0 CCAERP COCC[N@H+](C)CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000171211621 350894355 /nfs/dbraw/zinc/89/43/55/350894355.db2.gz UYUUXBDDGNBJHT-UHFFFAOYSA-N 2 0 298.431 0.444 10 0 CCAERP COCCC[N@H+](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000181010079 351298445 /nfs/dbraw/zinc/29/84/45/351298445.db2.gz OUAZCVKAGRUESD-AWEZNQCLSA-N 2 0 271.405 0.603 10 0 CCAERP [NH3+][C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000188185133 351578809 /nfs/dbraw/zinc/57/88/09/351578809.db2.gz IDIKJBOVXGFCEQ-QJPTWQEYSA-N 2 0 251.305 0.503 10 0 CCAERP CC(C)COC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629267 351837324 /nfs/dbraw/zinc/83/73/24/351837324.db2.gz GBYWVKXKBYODHN-MJBXVCDLSA-N 2 0 256.390 0.513 10 0 CCAERP C[NH+](C)CCOCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000219309228 351966532 /nfs/dbraw/zinc/96/65/32/351966532.db2.gz IXFFUMZHVFGCDN-UPJWGTAASA-N 2 0 256.390 0.968 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000250363904 352504350 /nfs/dbraw/zinc/50/43/50/352504350.db2.gz WGSUSYLNPLOXCT-PMPSAXMXSA-N 2 0 277.412 0.553 10 0 CCAERP O=C(C[NH2+]C[C@H]1CCCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328634699 354243329 /nfs/dbraw/zinc/24/33/29/354243329.db2.gz MYBZYJFHRMQNGS-GXTWGEPZSA-N 2 0 281.400 0.498 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000335394069 354995231 /nfs/dbraw/zinc/99/52/31/354995231.db2.gz DTKRDWVDLYQIDQ-AAEUAGOBSA-N 2 0 266.389 0.522 10 0 CCAERP NC(=O)c1c[nH+]ccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573467690 358971062 /nfs/dbraw/zinc/97/10/62/358971062.db2.gz RDNMQBUPPOJMFH-AWEZNQCLSA-N 2 0 260.341 0.760 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc2ccnnc2c1 ZINC000616636608 365396719 /nfs/dbraw/zinc/39/67/19/365396719.db2.gz MNVBHVWFFZDHEP-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP C[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCCC[NH2+]1 ZINC000334655720 291370425 /nfs/dbraw/zinc/37/04/25/291370425.db2.gz SVVZOEDKLBLPLW-GXSJLCMTSA-N 2 0 261.316 0.632 10 0 CCAERP O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000237999596 296107576 /nfs/dbraw/zinc/10/75/76/296107576.db2.gz VMXTVXHCSWDBRA-ZIAGYGMSSA-N 2 0 281.400 0.309 10 0 CCAERP C[C@H](CC[NH+](C)C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766671 372213902 /nfs/dbraw/zinc/21/39/02/372213902.db2.gz QGQZIPCPFLNDLD-DYEKYZERSA-N 2 0 253.390 0.833 10 0 CCAERP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000638072112 374624166 /nfs/dbraw/zinc/62/41/66/374624166.db2.gz QFQXCFRQBDNKMP-VNHYZAJKSA-N 2 0 285.432 0.846 10 0 CCAERP NC(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000037649425 184542137 /nfs/dbraw/zinc/54/21/37/184542137.db2.gz IEOBZFLFJHHQOW-NSHDSACASA-N 2 0 266.389 0.603 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000335284715 208103008 /nfs/dbraw/zinc/10/30/08/208103008.db2.gz AMJRTUMVCVDPFW-VXGBXAGGSA-N 2 0 254.378 0.603 10 0 CCAERP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1C[NH+]2CCC1CC2 ZINC000311081551 389101984 /nfs/dbraw/zinc/10/19/84/389101984.db2.gz NTNGVMMLMPIFMU-STQMWFEESA-N 2 0 251.374 0.539 10 0 CCAERP C(CN1CC[NH+]2CCC[C@H]2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172163403 389485636 /nfs/dbraw/zinc/48/56/36/389485636.db2.gz WRYZKUIRQKFIEN-IYBDPMFKSA-N 2 0 278.444 0.546 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000333897365 389448685 /nfs/dbraw/zinc/44/86/85/389448685.db2.gz AZSFOBNXGIVBMB-TUAOUCFPSA-N 2 0 254.378 0.520 10 0 CCAERP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000334939650 389511512 /nfs/dbraw/zinc/51/15/12/389511512.db2.gz UKHVPLCJMHMWGJ-NWDGAFQWSA-N 2 0 252.362 0.228 10 0 CCAERP CN1CCO[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000174343583 389519538 /nfs/dbraw/zinc/51/95/38/389519538.db2.gz QDHXLDFOAPGBSB-OLZOCXBDSA-N 2 0 267.373 0.014 10 0 CCAERP C[C@H]([NH2+]CCCN1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000643454251 390448386 /nfs/dbraw/zinc/44/83/86/390448386.db2.gz QDCOOOJAOIMIPX-UONOGXRCSA-N 2 0 255.406 0.686 10 0 CCAERP COC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000649333336 390588369 /nfs/dbraw/zinc/58/83/69/390588369.db2.gz NCXDJFBZWUAYCB-DYEKYZERSA-N 2 0 269.389 0.354 10 0 CCAERP COC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000643781222 390546893 /nfs/dbraw/zinc/54/68/93/390546893.db2.gz MZPBXFIXMXTLRF-IPYPFGDCSA-N 2 0 281.400 0.450 10 0 CCAERP C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000649301393 390561741 /nfs/dbraw/zinc/56/17/41/390561741.db2.gz ZLTLGKONWWTWPM-OLZOCXBDSA-N 2 0 269.389 0.071 10 0 CCAERP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000649304879 390563572 /nfs/dbraw/zinc/56/35/72/390563572.db2.gz KVNMEQZDTPUUJP-UKRRQHHQSA-N 2 0 283.416 0.602 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305920 390564965 /nfs/dbraw/zinc/56/49/65/390564965.db2.gz LYAVWGXBSATFCT-WDEREUQCSA-N 2 0 275.343 0.832 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649335095 390591628 /nfs/dbraw/zinc/59/16/28/390591628.db2.gz FCAOBZMWKXURKY-IJLUTSLNSA-N 2 0 287.354 0.926 10 0 CCAERP CN1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000657695935 413049216 /nfs/dbraw/zinc/04/92/16/413049216.db2.gz QKAVVIUAXIDRMD-YNEHKIRRSA-N 2 0 251.374 0.681 10 0 CCAERP CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000022164847 171365341 /nfs/dbraw/zinc/36/53/41/171365341.db2.gz JEESOLNSNLIMQZ-UHFFFAOYSA-N 2 0 297.424 0.860 10 0 CCAERP [NH3+]Cc1ccc(NC(=O)CC[NH+]2CCC(O)CC2)cc1 ZINC000022213883 171375166 /nfs/dbraw/zinc/37/51/66/171375166.db2.gz LBJYSUALFUXIDG-UHFFFAOYSA-N 2 0 277.368 0.931 10 0 CCAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105383 412220034 /nfs/dbraw/zinc/22/00/34/412220034.db2.gz SGEHPTTXQKRPCT-RKDXNWHRSA-N 2 0 281.322 0.841 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653110446 412222427 /nfs/dbraw/zinc/22/24/27/412222427.db2.gz JBDPELFLGZBXBD-HBNTYKKESA-N 2 0 293.333 0.842 10 0 CCAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112456 412224427 /nfs/dbraw/zinc/22/44/27/412224427.db2.gz ZEKFNUYPTVITPG-IVZWLZJFSA-N 2 0 279.306 0.595 10 0 CCAERP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000035632939 172316077 /nfs/dbraw/zinc/31/60/77/172316077.db2.gz LWJFTNGYILCBRA-NSHDSACASA-N 2 0 285.413 0.807 10 0 CCAERP CCC[NH+]1CCC(N(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038031012 174023820 /nfs/dbraw/zinc/02/38/20/174023820.db2.gz GIIPCYPEEUSIEI-UHFFFAOYSA-N 2 0 282.432 0.224 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264531 414702394 /nfs/dbraw/zinc/70/23/94/414702394.db2.gz SGJRNJPMOYHUGF-RDBSUJKOSA-N 2 0 265.401 0.676 10 0 CCAERP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000662263227 414702814 /nfs/dbraw/zinc/70/28/14/414702814.db2.gz LKLHROWSWRSJIZ-STQMWFEESA-N 2 0 251.374 0.287 10 0 CCAERP CC[NH+]1CCC(C[NH3+])(N(C)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000071188587 176063570 /nfs/dbraw/zinc/06/35/70/176063570.db2.gz MYOYCBOWPMQCOV-AWEZNQCLSA-N 3 0 268.449 0.683 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257941 545880114 /nfs/dbraw/zinc/88/01/14/545880114.db2.gz AGGFVSSQNWAVIR-SNVBAGLBSA-N 2 0 251.334 0.339 10 0 CCAERP CC(C)[NH2+]CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258675 545881465 /nfs/dbraw/zinc/88/14/65/545881465.db2.gz WZEKNSMBGSUCSX-UHFFFAOYSA-N 2 0 251.334 0.354 10 0 CCAERP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258650 545881614 /nfs/dbraw/zinc/88/16/14/545881614.db2.gz VXXIRCSMSBWVIQ-SNVBAGLBSA-N 2 0 251.334 0.339 10 0 CCAERP C[N@H+](CCO)C1CCC(C)([NH+]2CCOCC2)CC1 ZINC000725262587 545882169 /nfs/dbraw/zinc/88/21/69/545882169.db2.gz IBSMIEPQDOWNBL-UHFFFAOYSA-N 2 0 256.390 0.944 10 0 CCAERP CC[NH+]1CCN([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264331 545884178 /nfs/dbraw/zinc/88/41/78/545884178.db2.gz HQIBHTWENNNZAS-STQMWFEESA-N 2 0 253.390 0.520 10 0 CCAERP CC(C)([NH3+])c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271860 545887604 /nfs/dbraw/zinc/88/76/04/545887604.db2.gz DMDXIOCREPUBQT-NSHDSACASA-N 2 0 279.388 0.946 10 0 CCAERP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089460915 544514620 /nfs/dbraw/zinc/51/46/20/544514620.db2.gz ZQLZEBJTHTWRQH-STQMWFEESA-N 2 0 253.390 0.819 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089460975 544514838 /nfs/dbraw/zinc/51/48/38/544514838.db2.gz ZVTFSISSSKIHTN-DMDPSCGWSA-N 2 0 251.374 0.714 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333502177 545039869 /nfs/dbraw/zinc/03/98/69/545039869.db2.gz FNUODIZDWOJNOX-CHWSQXEVSA-N 2 0 280.416 0.912 10 0 CCAERP CC1(C)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000333752652 276123434 /nfs/dbraw/zinc/12/34/34/276123434.db2.gz ZHIHRDBDADPZMQ-LLVKDONJSA-N 2 0 254.378 0.522 10 0 CCAERP C[C@@]1(C[N@@H+]2CC[C@H](N3CCOCC3)C2)CC[NH2+]C1 ZINC000110371507 278122099 /nfs/dbraw/zinc/12/20/99/278122099.db2.gz XIUIIPKTTBDNAN-UONOGXRCSA-N 2 0 253.390 0.393 10 0 CCAERP CC[NH+](CC)[C@@H](C)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188854874 279144978 /nfs/dbraw/zinc/14/49/78/279144978.db2.gz UDSOZQQFXQIOTR-JTQLQIEISA-N 2 0 279.388 0.516 10 0 CCAERP CC[C@@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247169189 280105992 /nfs/dbraw/zinc/10/59/92/280105992.db2.gz MUOFIFGBHXCAOB-KGLIPLIRSA-N 2 0 299.459 0.926 10 0 CCAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1C[NH2+]C1 ZINC000335379798 297409373 /nfs/dbraw/zinc/40/93/73/297409373.db2.gz STFSJZGSFBTPPH-PWSUYJOCSA-N 2 0 252.362 0.226 10 0 CCAERP CC[NH+]1CCN([C@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536957109 330383380 /nfs/dbraw/zinc/38/33/80/330383380.db2.gz BIPWCZPGEJBKIG-ZIAGYGMSSA-N 2 0 297.443 0.944 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000384256572 336123034 /nfs/dbraw/zinc/12/30/34/336123034.db2.gz OLXZQZSNKITPKA-KGLIPLIRSA-N 2 0 283.416 0.555 10 0 CCAERP CCCN(CCn1cc(C[NH3+])nn1)CC[NH+](C)C ZINC000052544214 521656496 /nfs/dbraw/zinc/65/64/96/521656496.db2.gz QXCASLFSGPEXPG-UHFFFAOYSA-N 2 0 254.382 0.010 10 0 CCAERP C[NH+]1CCC(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000049631063 523778140 /nfs/dbraw/zinc/77/81/40/523778140.db2.gz ZYBCUAMJXQTBOU-GFCCVEGCSA-N 2 0 275.418 0.142 10 0 CCAERP C[C@H](C[NH+]1CCN(CC[NH+](C)C)CC1)C(N)=S ZINC000061644359 524346371 /nfs/dbraw/zinc/34/63/71/524346371.db2.gz UUPSFPPRZHJPFG-LLVKDONJSA-N 2 0 258.435 0.088 10 0 CCAERP C[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C[NH2+]1 ZINC000049575585 524559234 /nfs/dbraw/zinc/55/92/34/524559234.db2.gz IDQRSVXVTXMCPL-CHWSQXEVSA-N 2 0 253.390 0.977 10 0 CCAERP CC(C)OC[C@@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072966 630979862 /nfs/dbraw/zinc/97/98/62/630979862.db2.gz GUGFLWLWMXPNPK-ZDUSSCGKSA-N 2 0 274.405 0.602 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@@H]2CCOC2=O)CC1 ZINC000120474559 645348825 /nfs/dbraw/zinc/34/88/25/645348825.db2.gz XCFDVAKFBLTFCY-UKRRQHHQSA-N 2 0 298.427 0.964 10 0 CCAERP [NH3+]C1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667908 649709097 /nfs/dbraw/zinc/70/90/97/649709097.db2.gz PYLYXKNEUBUWOD-NWINJMCUSA-N 2 0 281.400 0.483 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091542575 349466726 /nfs/dbraw/zinc/46/67/26/349466726.db2.gz VYZWPMVRMZCCOW-QWHCGFSZSA-N 2 0 253.390 0.914 10 0 CCAERP C[NH+](C)C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1 ZINC000194650702 282136415 /nfs/dbraw/zinc/13/64/15/282136415.db2.gz NQDHLECENBVPMR-HNNXBMFYSA-N 2 0 295.427 0.650 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105174476 349721696 /nfs/dbraw/zinc/72/16/96/349721696.db2.gz ONDONLHCKSROFE-CHWSQXEVSA-N 2 0 284.404 0.101 10 0 CCAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116796766 349873204 /nfs/dbraw/zinc/87/32/04/349873204.db2.gz BCAUECRCKDPJNU-LBPRGKRZSA-N 2 0 257.378 0.116 10 0 CCAERP [NH3+]C[C@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000159319044 290723687 /nfs/dbraw/zinc/72/36/87/290723687.db2.gz YIQVTAHGQAQMGT-KBPBESRZSA-N 2 0 259.353 0.727 10 0 CCAERP C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC[NH2+]1 ZINC000180895943 136891633 /nfs/dbraw/zinc/89/16/33/136891633.db2.gz GDRRYGRBCRVXQC-IIKSMHAQSA-N 2 0 251.374 0.918 10 0 CCAERP [NH3+]C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CCCCC1 ZINC000261619867 137012563 /nfs/dbraw/zinc/01/25/63/137012563.db2.gz CBMHNNMJPDSLBA-UPJWGTAASA-N 2 0 269.389 0.517 10 0 CCAERP C[C@@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000261644920 137013541 /nfs/dbraw/zinc/01/35/41/137013541.db2.gz AZPXFHNDEAKFGZ-YRGRVCCFSA-N 2 0 253.390 0.867 10 0 CCAERP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262462797 137044323 /nfs/dbraw/zinc/04/43/23/137044323.db2.gz XJWCACMDFBTWHB-YPMHNXCESA-N 2 0 253.390 0.962 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000262651609 137049451 /nfs/dbraw/zinc/04/94/51/137049451.db2.gz REZWGJHNWSNZMO-QLFBSQMISA-N 2 0 295.427 0.685 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000261780792 137019389 /nfs/dbraw/zinc/01/93/89/137019389.db2.gz LDFBCCSOEUYIKR-BFHYXJOUSA-N 2 0 282.432 0.114 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054307499 348549444 /nfs/dbraw/zinc/54/94/44/348549444.db2.gz XNMBBGGJRBXMKW-OLZOCXBDSA-N 2 0 265.401 0.977 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054309014 348549512 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CCAERP COC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171973333 285244677 /nfs/dbraw/zinc/24/46/77/285244677.db2.gz HZXOUMMLAPJJPB-JSGCOSHPSA-N 2 0 274.405 0.018 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000335284714 285265751 /nfs/dbraw/zinc/26/57/51/285265751.db2.gz AMJRTUMVCVDPFW-RYUDHWBXSA-N 2 0 254.378 0.603 10 0 CCAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000188752803 388940247 /nfs/dbraw/zinc/94/02/47/388940247.db2.gz BPDVCHGCWCMAPR-SDDRHHMPSA-N 2 0 255.337 0.383 10 0 CCAERP CC1(C)OCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336903305 389029405 /nfs/dbraw/zinc/02/94/05/389029405.db2.gz VCXKUBDFCDSBKY-OLZOCXBDSA-N 2 0 256.390 0.990 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)O1 ZINC000094569044 389040298 /nfs/dbraw/zinc/04/02/98/389040298.db2.gz PSLCXYXTYHEWTM-MCIONIFRSA-N 2 0 281.400 0.580 10 0 CCAERP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000219944723 389138527 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CCAERP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1[NH3+] ZINC000333687380 389440583 /nfs/dbraw/zinc/44/05/83/389440583.db2.gz CFEGHCSIPFKOPO-BNOWGMLFSA-N 2 0 280.416 0.992 10 0 CCAERP O=C([C@@H]1CCNCC1(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000335120206 389538058 /nfs/dbraw/zinc/53/80/58/389538058.db2.gz UBKMGIAVPQHVEQ-MNOVXSKESA-N 2 0 273.327 0.538 10 0 CCAERP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1C[NH2+]C1 ZINC000335379796 389551837 /nfs/dbraw/zinc/55/18/37/389551837.db2.gz STFSJZGSFBTPPH-JQWIXIFHSA-N 2 0 252.362 0.226 10 0 CCAERP NC(=O)c1c[nH+]ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000399205777 389788765 /nfs/dbraw/zinc/78/87/65/389788765.db2.gz VTYPMBOUZOFMIU-DLOVCJGASA-N 2 0 260.341 0.744 10 0 CCAERP Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)c2ccccc2[nH+]1 ZINC000420244509 389972210 /nfs/dbraw/zinc/97/22/10/389972210.db2.gz DMYYELXLBQZFJN-XHDPSFHLSA-N 2 0 257.337 0.957 10 0 CCAERP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643775491 390540936 /nfs/dbraw/zinc/54/09/36/390540936.db2.gz WSZKIMPAOAUMJI-CHWSQXEVSA-N 2 0 269.389 0.165 10 0 CCAERP COC[C@@]1(C(=O)NCC(C)(C)[NH+](C)C)CCC[NH2+]1 ZINC000649278088 390544970 /nfs/dbraw/zinc/54/49/70/390544970.db2.gz KRHOFLWCTDHAKU-CYBMUJFWSA-N 2 0 257.378 0.211 10 0 CCAERP CCC[NH+]1CCC(NC(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000649280657 390547269 /nfs/dbraw/zinc/54/72/69/390547269.db2.gz BWAPPEMBCRBPCC-HNNXBMFYSA-N 2 0 283.416 0.746 10 0 CCAERP CC1CC[NH+](CCCNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649281519 390548537 /nfs/dbraw/zinc/54/85/37/390548537.db2.gz PNFWLNSWZFLJRS-CQSZACIVSA-N 2 0 283.416 0.461 10 0 CCAERP COC[C@@]1(C(=O)NCCC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000649309601 390567791 /nfs/dbraw/zinc/56/77/91/390567791.db2.gz YYARSDXNXKEVAB-OAHLLOKOSA-N 2 0 283.416 0.603 10 0 CCAERP COC[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000649316914 390574969 /nfs/dbraw/zinc/57/49/69/390574969.db2.gz ZBOHWCBGVKIDRM-HIFRSBDPSA-N 2 0 281.400 0.452 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392816901 397513616 /nfs/dbraw/zinc/51/36/16/397513616.db2.gz MRXGOEZSUADRHK-QWHCGFSZSA-N 2 0 251.374 0.753 10 0 CCAERP O=C([C@@H]1CCC[NH2+]C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178746944 304332348 /nfs/dbraw/zinc/33/23/48/304332348.db2.gz MSMMNVYPAGEAFL-GFCCVEGCSA-N 2 0 251.374 0.683 10 0 CCAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000335369695 289212886 /nfs/dbraw/zinc/21/28/86/289212886.db2.gz WAXCISVWHMYRCH-TZMCWYRMSA-N 2 0 253.390 0.929 10 0 CCAERP [NH3+]C1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044726787 411633339 /nfs/dbraw/zinc/63/33/39/411633339.db2.gz INVJOBHFDCNAIJ-HTAVTVPLSA-N 2 0 251.374 0.857 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000310945214 411747658 /nfs/dbraw/zinc/74/76/58/411747658.db2.gz XQKGUKPBLVRMBC-KGLIPLIRSA-N 2 0 255.406 0.468 10 0 CCAERP CC[NH+]1CCC(C[NH3+])(N2CCC[N@H+](C)CC2)CC1 ZINC000020217748 171080084 /nfs/dbraw/zinc/08/00/84/171080084.db2.gz LGTZYHOYOROMOB-UHFFFAOYSA-N 3 0 254.422 0.437 10 0 CCAERP C[NH+](C)CCNC(=O)COc1ccccc1C[NH3+] ZINC000022223513 171379591 /nfs/dbraw/zinc/37/95/91/171379591.db2.gz IIKLDMSDSWIALZ-UHFFFAOYSA-N 2 0 251.330 0.202 10 0 CCAERP CC[NH+]1CCN([C@H]2CC3(CC[C@H]2[NH3+])OCCO3)CC1 ZINC000023071366 171410745 /nfs/dbraw/zinc/41/07/45/171410745.db2.gz NSZVPKWRPQPNTR-OLZOCXBDSA-N 2 0 269.389 0.247 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662854829 414845579 /nfs/dbraw/zinc/84/55/79/414845579.db2.gz VGFRELLWKLFPCH-GFCCVEGCSA-N 2 0 283.416 0.731 10 0 CCAERP CC[N@@H+]1CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000044494109 175181363 /nfs/dbraw/zinc/18/13/63/175181363.db2.gz OZISURGCMHSDQW-UHFFFAOYSA-N 2 0 252.387 0.931 10 0 CCAERP C[N@H+](CCCn1ccc(N)n1)C[C@H]1CC[NH+](C)C1 ZINC000071352571 176135742 /nfs/dbraw/zinc/13/57/42/176135742.db2.gz AJPMJOBKPDHUAK-GFCCVEGCSA-N 2 0 251.378 0.739 10 0 CCAERP CC(C)c1nccn1CCC[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC000072411617 176398836 /nfs/dbraw/zinc/39/88/36/176398836.db2.gz UJJTTZYEDLSZCP-AWEZNQCLSA-N 2 0 266.389 0.711 10 0 CCAERP CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258277 545881504 /nfs/dbraw/zinc/88/15/04/545881504.db2.gz MPXHRJJQWUMXNM-JTQLQIEISA-N 2 0 251.334 0.339 10 0 CCAERP C[C@@H](C[NH3+])CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258588 545882222 /nfs/dbraw/zinc/88/22/22/545882222.db2.gz UHFLVOKUMAPZPS-SECBINFHSA-N 2 0 251.334 0.341 10 0 CCAERP CC(C)C[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258686 545882467 /nfs/dbraw/zinc/88/24/67/545882467.db2.gz XGTWSYOWOODWDV-UHFFFAOYSA-N 2 0 251.334 0.212 10 0 CCAERP CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000089449440 544513455 /nfs/dbraw/zinc/51/34/55/544513455.db2.gz AGXDUPRWTIDQDS-AAEUAGOBSA-N 2 0 253.390 0.914 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000089457178 544514140 /nfs/dbraw/zinc/51/41/40/544514140.db2.gz ODIFTWNAPUWVAI-ZIAGYGMSSA-N 2 0 265.401 0.916 10 0 CCAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000091667359 544528434 /nfs/dbraw/zinc/52/84/34/544528434.db2.gz ZVPSWZKIGLBJRU-GXTWGEPZSA-N 2 0 255.406 0.637 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000235303232 544874553 /nfs/dbraw/zinc/87/45/53/544874553.db2.gz LTTZUSAXSYSJKS-YVECIDJPSA-N 2 0 251.374 0.585 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000249978538 544921380 /nfs/dbraw/zinc/92/13/80/544921380.db2.gz KEULMXKAVVUUQI-NWDGAFQWSA-N 2 0 257.378 0.056 10 0 CCAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N3CCOCC3)C2)CC[NH2+]1 ZINC000300137434 544979051 /nfs/dbraw/zinc/97/90/51/544979051.db2.gz IUCFWYKYTUZMOO-KFWWJZLASA-N 2 0 267.417 0.781 10 0 CCAERP CC1CC[NH+](CCNC(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000333938510 545044479 /nfs/dbraw/zinc/04/44/79/545044479.db2.gz MMQHSCAGMNVVFE-ZDUSSCGKSA-N 2 0 268.405 0.627 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333502949 545039849 /nfs/dbraw/zinc/03/98/49/545039849.db2.gz FNUODIZDWOJNOX-STQMWFEESA-N 2 0 280.416 0.912 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000335946739 277062580 /nfs/dbraw/zinc/06/25/80/277062580.db2.gz LCQACSBRXICTJN-KGLIPLIRSA-N 2 0 280.416 0.960 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247239254 279332605 /nfs/dbraw/zinc/33/26/05/279332605.db2.gz XSCFMUJHPVSMIJ-KBPBESRZSA-N 2 0 280.416 0.960 10 0 CCAERP [NH3+]C1(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000361726992 295201073 /nfs/dbraw/zinc/20/10/73/295201073.db2.gz JSWLTEPKJYUUAR-GFCCVEGCSA-N 2 0 251.374 0.955 10 0 CCAERP [NH3+]CCCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000237901539 303374131 /nfs/dbraw/zinc/37/41/31/303374131.db2.gz QIDJHHSWTRMENN-CYBMUJFWSA-N 2 0 269.389 0.296 10 0 CCAERP CCC[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000061712116 519911238 /nfs/dbraw/zinc/91/12/38/519911238.db2.gz TXMYEHCSBSQEMW-ZDUSSCGKSA-N 2 0 256.390 0.849 10 0 CCAERP CCC[NH2+][C@@H](CN1CC[NH+]([C@H](C)CC)CC1)C(N)=O ZINC000055070542 520009318 /nfs/dbraw/zinc/00/93/18/520009318.db2.gz CPXZPZUFZJFRBR-OLZOCXBDSA-N 2 0 270.421 0.256 10 0 CCAERP C[NH+](C)C[C@H]1CCCN1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062532580 521868351 /nfs/dbraw/zinc/86/83/51/521868351.db2.gz BCNSYCUYZKPVQM-OLZOCXBDSA-N 2 0 268.405 0.008 10 0 CCAERP CC[NH2+][C@@H](C)CC(=O)N(CCC[NH+](C)C)CCOC ZINC000061272818 520060591 /nfs/dbraw/zinc/06/05/91/520060591.db2.gz DGQLTZATGISURG-ZDUSSCGKSA-N 2 0 273.421 0.801 10 0 CCAERP C[C@H](C[NH+]1CCCC1)NS(=O)(=O)CCCC[NH3+] ZINC000049181482 524316725 /nfs/dbraw/zinc/31/67/25/524316725.db2.gz LIPHAVUQCBKXNC-LLVKDONJSA-N 2 0 263.407 0.129 10 0 CCAERP C[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](C)CC2)C[C@@H]1[NH3+] ZINC000055124305 524330977 /nfs/dbraw/zinc/33/09/77/524330977.db2.gz CRTHAGSQIIBKNO-XQQFMLRXSA-N 2 0 253.390 0.914 10 0 CCAERP C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)CCC[NH3+] ZINC000049502443 524334457 /nfs/dbraw/zinc/33/44/57/524334457.db2.gz GXCYFJQZFYNZSW-LLVKDONJSA-N 2 0 263.407 0.129 10 0 CCAERP C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055126699 525186107 /nfs/dbraw/zinc/18/61/07/525186107.db2.gz MVOGNSCHTNOFNL-MDZLAQPJSA-N 2 0 253.390 0.960 10 0 CCAERP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261767502 535701668 /nfs/dbraw/zinc/70/16/68/535701668.db2.gz KEGPGDFJCDFXCQ-ZIAGYGMSSA-N 2 0 282.432 0.115 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000111270105 644102566 /nfs/dbraw/zinc/10/25/66/644102566.db2.gz WSAOOPJOAVOJSQ-JHJVBQTASA-N 2 0 253.390 0.833 10 0 CCAERP CN1CCO[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094754695 649748323 /nfs/dbraw/zinc/74/83/23/649748323.db2.gz CHQBOELUYUWUGH-XQQFMLRXSA-N 2 0 269.389 0.341 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000334926539 282197581 /nfs/dbraw/zinc/19/75/81/282197581.db2.gz DGYQOUFWFAOROO-VXGBXAGGSA-N 2 0 254.378 0.474 10 0 CCAERP COCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845991 349725525 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YCHBTMRZOMMJKL-GJZGRUSLSA-N 3 0 298.475 0.574 10 0 CCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(C)C(=O)C2)CC1 ZINC000192842549 351801383 /nfs/dbraw/zinc/80/13/83/351801383.db2.gz CYIVDQGLGOOLQD-UHFFFAOYSA-N 2 0 296.459 0.567 10 0 CCAERP COCC1(C(=O)N2CC[C@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000234645701 352164659 /nfs/dbraw/zinc/16/46/59/352164659.db2.gz OBKSQMDLIAHHES-LBPRGKRZSA-N 2 0 269.389 0.165 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000245420633 352322183 /nfs/dbraw/zinc/32/21/83/352322183.db2.gz NASKXFWROHBFCH-KBPBESRZSA-N 2 0 298.431 0.443 10 0 CCAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CN3CCCC3=O)CC[C@H]21 ZINC000248163796 352432168 /nfs/dbraw/zinc/43/21/68/352432168.db2.gz SPCUJQYHEMZSPM-RBSFLKMASA-N 2 0 295.427 0.386 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000251833283 352511964 /nfs/dbraw/zinc/51/19/64/352511964.db2.gz PSNCRBOWNGNBOK-AGIUHOORSA-N 2 0 251.374 0.824 10 0 CCAERP C[C@H]1CC2(CN1C(=O)[C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC000335274599 354992419 /nfs/dbraw/zinc/99/24/19/354992419.db2.gz CZPYVMIQAZPCMC-STQMWFEESA-N 2 0 265.401 0.977 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404883011 357822252 /nfs/dbraw/zinc/82/22/52/357822252.db2.gz KLHZHWDTNOVHQG-FRRDWIJNSA-N 2 0 253.390 0.785 10 0 CCAERP CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1CC[NH3+] ZINC000616635698 365395533 /nfs/dbraw/zinc/39/55/33/365395533.db2.gz FIBMBORPYWPNPS-NSHDSACASA-N 2 0 272.393 0.134 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@@H](c2cnnc3ccccc32)C1 ZINC000616601738 365380894 /nfs/dbraw/zinc/38/08/94/365380894.db2.gz IROLPAZMEOFBKM-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCn2ccnc2)CC1 ZINC000161681080 296181814 /nfs/dbraw/zinc/18/18/14/296181814.db2.gz QFTSROUKHRRJOF-CQSZACIVSA-N 2 0 280.416 0.908 10 0 CCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000333379086 205270480 /nfs/dbraw/zinc/27/04/80/205270480.db2.gz NIBVPSOWXXWAHB-KGLIPLIRSA-N 2 0 298.431 0.476 10 0 CCAERP O=C(CCC1C[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000638086660 374647285 /nfs/dbraw/zinc/64/72/85/374647285.db2.gz IHAUOEKSGMPQIP-CYBMUJFWSA-N 2 0 251.374 0.683 10 0 CCAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638301886 374906956 /nfs/dbraw/zinc/90/69/56/374906956.db2.gz NLDSYMIZUXFHNE-AEGPPILISA-N 2 0 291.395 0.739 10 0 CCAERP CC1(C)CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000334262122 206273498 /nfs/dbraw/zinc/27/34/98/206273498.db2.gz YYSLPDUAHZIWCP-QWRGUYRKSA-N 2 0 271.430 0.667 10 0 CCAERP C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000334949537 207341225 /nfs/dbraw/zinc/34/12/25/207341225.db2.gz UQRDUIZRJKTHGZ-VXGBXAGGSA-N 2 0 266.389 0.640 10 0 CCAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000247237366 285046226 /nfs/dbraw/zinc/04/62/26/285046226.db2.gz YTSCGLFXHRJYBJ-MELADBBJSA-N 2 0 256.390 0.848 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000335285719 208104056 /nfs/dbraw/zinc/10/40/56/208104056.db2.gz RTXIUCTZSKTIBZ-VXGBXAGGSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251830114 285149940 /nfs/dbraw/zinc/14/99/40/285149940.db2.gz PLVDYYUQKUDLMA-VOAKCMCISA-N 2 0 251.374 0.680 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)C[NH+](C)C1CC1 ZINC000311688561 285240142 /nfs/dbraw/zinc/24/01/42/285240142.db2.gz KIWWWDQFVBXETR-CABCVRRESA-N 2 0 269.433 0.858 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000262163365 285330761 /nfs/dbraw/zinc/33/07/61/285330761.db2.gz TVCLMTHHYBRRBI-JCIQBVFBSA-N 2 0 274.455 0.536 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCC2CC2)CC1 ZINC000105862468 389088405 /nfs/dbraw/zinc/08/84/05/389088405.db2.gz WTSIKJDPEDYHMP-ZDUSSCGKSA-N 2 0 297.443 0.537 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000252560720 389265428 /nfs/dbraw/zinc/26/54/28/389265428.db2.gz VVXYXFDLVXFOGA-DGAVXFQQSA-N 2 0 281.400 0.483 10 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/nfs/dbraw/zinc/56/39/47/390563947.db2.gz KVNMEQZDTPUUJP-DZGCQCFKSA-N 2 0 283.416 0.602 10 0 CCAERP COCCC1(C(=O)N[C@H](C)CC[NH+](C)C)CC[NH2+]CC1 ZINC000649308607 390568092 /nfs/dbraw/zinc/56/80/92/390568092.db2.gz PZCCXZQRZLKHEE-CYBMUJFWSA-N 2 0 285.432 0.849 10 0 CCAERP COC[C@]1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CCC[NH2+]1 ZINC000649335217 390591659 /nfs/dbraw/zinc/59/16/59/390591659.db2.gz LYZFSLHVPYGLKJ-IPYPFGDCSA-N 2 0 281.400 0.450 10 0 CCAERP COC[C@@]1(C(=O)N(C)CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000649374127 390609453 /nfs/dbraw/zinc/60/94/53/390609453.db2.gz YPBMAXBEQUJDOF-OAHLLOKOSA-N 2 0 283.416 0.555 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000116278158 287086609 /nfs/dbraw/zinc/08/66/09/287086609.db2.gz JDNHYBDYOJKKDM-TZMCWYRMSA-N 2 0 283.416 0.242 10 0 CCAERP C[NH+](C)[C@@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000062965782 411686962 /nfs/dbraw/zinc/68/69/62/411686962.db2.gz OCFPLXWONCRHOQ-SECBINFHSA-N 2 0 253.350 0.399 10 0 CCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129614467 411719817 /nfs/dbraw/zinc/71/98/17/411719817.db2.gz NUXWIXKCLZWBGQ-CQSZACIVSA-N 2 0 296.459 0.661 10 0 CCAERP C[NH2+]Cc1c(N2CC[NH+](C)CC2)nc2ccccn21 ZINC000035433916 172202208 /nfs/dbraw/zinc/20/22/08/172202208.db2.gz IILJWSZEPXJGNS-UHFFFAOYSA-N 2 0 259.357 0.806 10 0 CCAERP C[C@@H](CCNC(=O)C(C)(C)N1CC[NH2+]CC1)[NH+](C)C ZINC000662635551 414735721 /nfs/dbraw/zinc/73/57/21/414735721.db2.gz WPOCPLAQEWVHOZ-LBPRGKRZSA-N 2 0 270.421 0.127 10 0 CCAERP CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000089449437 544512806 /nfs/dbraw/zinc/51/28/06/544512806.db2.gz AGXDUPRWTIDQDS-YPMHNXCESA-N 2 0 253.390 0.914 10 0 CCAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000089746424 544516978 /nfs/dbraw/zinc/51/69/78/544516978.db2.gz ZNPCZPLHICWPJW-LSDHHAIUSA-N 2 0 296.459 0.374 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000250179112 544922269 /nfs/dbraw/zinc/92/22/69/544922269.db2.gz TVYOMKVAMMRXTI-UONOGXRCSA-N 2 0 283.416 0.542 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250684260 544923988 /nfs/dbraw/zinc/92/39/88/544923988.db2.gz ZVTFSISSSKIHTN-GVXVVHGQSA-N 2 0 251.374 0.714 10 0 CCAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000261712827 544936487 /nfs/dbraw/zinc/93/64/87/544936487.db2.gz JJXIRRLIHARYBN-RWMBFGLXSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333482903 545039767 /nfs/dbraw/zinc/03/97/67/545039767.db2.gz CHHZNYYTPPPIKJ-NDBYEHHHSA-N 2 0 266.389 0.663 10 0 CCAERP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000102000348 279198949 /nfs/dbraw/zinc/19/89/49/279198949.db2.gz WAGFNYPPUXFZKD-ZDUSSCGKSA-N 2 0 268.405 0.864 10 0 CCAERP O=C1NCCCC[C@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000120202980 280285198 /nfs/dbraw/zinc/28/51/98/280285198.db2.gz OGHSIIPHYAXUPR-OAHLLOKOSA-N 2 0 295.427 0.699 10 0 CCAERP CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333906815 289046590 /nfs/dbraw/zinc/04/65/90/289046590.db2.gz KCWMKHCQXFLEKQ-STQMWFEESA-N 2 0 298.431 0.225 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000389644758 545086650 /nfs/dbraw/zinc/08/66/50/545086650.db2.gz MDNFLYHRSNXGGB-FRRDWIJNSA-N 2 0 253.390 0.975 10 0 CCAERP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1C[NH2+]C1 ZINC000164286474 298038796 /nfs/dbraw/zinc/03/87/96/298038796.db2.gz CIKPAWFOBCLIAW-JSGCOSHPSA-N 2 0 265.401 0.929 10 0 CCAERP CC[N@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000381166823 327134613 /nfs/dbraw/zinc/13/46/13/327134613.db2.gz URDKFGCSLDCMCK-KBPBESRZSA-N 2 0 255.406 0.469 10 0 CCAERP CC(C)[NH2+]CCCS(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061653273 519721086 /nfs/dbraw/zinc/72/10/86/519721086.db2.gz ZNZPYUQVZMYGNH-ZDUSSCGKSA-N 2 0 291.461 0.730 10 0 CCAERP CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)CC[NH2+]C ZINC000049629969 520630831 /nfs/dbraw/zinc/63/08/31/520630831.db2.gz ZXIDFZBTUPMLOK-GFCCVEGCSA-N 2 0 279.450 0.636 10 0 CCAERP CC[C@@H](C)[NH2+]C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655322 522228429 /nfs/dbraw/zinc/22/84/29/522228429.db2.gz UXVWASHABJICBI-CABCVRRESA-N 2 0 270.465 0.942 10 0 CCAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000263128129 526313213 /nfs/dbraw/zinc/31/32/13/526313213.db2.gz BLAHNCYJNXUDEC-ZFWWWQNUSA-N 2 0 257.337 0.905 10 0 CCAERP [NH3+]C[C@@H]1CC[C@@H](CN2CC[NH+](CC3CC3)CC2)O1 ZINC000052372476 527217478 /nfs/dbraw/zinc/21/74/78/527217478.db2.gz NMBDZUAFQQKADU-KBPBESRZSA-N 2 0 253.390 0.520 10 0 CCAERP CCC(CC)[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCCC1 ZINC000262416214 535102654 /nfs/dbraw/zinc/10/26/54/535102654.db2.gz QENFBFSKXFHPLB-CYBMUJFWSA-N 2 0 298.431 0.078 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000227802554 637035663 /nfs/dbraw/zinc/03/56/63/637035663.db2.gz IVNTWNNEVDANAM-BFHYXJOUSA-N 2 0 253.390 0.520 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC2OCCO2)CC1 ZINC000124181518 646302731 /nfs/dbraw/zinc/30/27/31/646302731.db2.gz IRSNDUZJXVWTSY-CYBMUJFWSA-N 2 0 286.416 0.774 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252562413 649828876 /nfs/dbraw/zinc/82/88/76/649828876.db2.gz WWHAVNLGGVGYLV-CRWXNKLISA-N 2 0 281.400 0.341 10 0 CCAERP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000091394523 349461035 /nfs/dbraw/zinc/46/10/35/349461035.db2.gz XUOPEIFTIRXGNC-QWHCGFSZSA-N 2 0 253.390 0.929 10 0 CCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)CC1 ZINC000093332580 349538257 /nfs/dbraw/zinc/53/82/57/349538257.db2.gz XQTYRYJTKCXCDW-GXTWGEPZSA-N 2 0 283.416 0.290 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C1CC1 ZINC000094460136 349567979 /nfs/dbraw/zinc/56/79/79/349567979.db2.gz NQGYAFQTNWXFER-DGCLKSJQSA-N 2 0 251.374 0.824 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000094447043 349568220 /nfs/dbraw/zinc/56/82/20/349568220.db2.gz PGYAESKANASDMX-WCQYABFASA-N 2 0 251.374 0.824 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000094447042 349568664 /nfs/dbraw/zinc/56/86/64/349568664.db2.gz PGYAESKANASDMX-DGCLKSJQSA-N 2 0 251.374 0.824 10 0 CCAERP CC[N@H+](CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000117043136 349880618 /nfs/dbraw/zinc/88/06/18/349880618.db2.gz JGMDEGOKQUVVJC-AWEZNQCLSA-N 2 0 298.431 0.443 10 0 CCAERP CCC[C@@H](C(=O)NC1CC[NH+](CCOC)CC1)[NH+](C)C ZINC000161783640 290736850 /nfs/dbraw/zinc/73/68/50/290736850.db2.gz HBYJBTIPOQSBEN-AWEZNQCLSA-N 2 0 285.432 0.944 10 0 CCAERP CCC[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000162040233 290737987 /nfs/dbraw/zinc/73/79/87/290737987.db2.gz MABXRVASYIDMJP-KGLIPLIRSA-N 2 0 284.448 0.469 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccnn2C)CC1 ZINC000121136583 350024024 /nfs/dbraw/zinc/02/40/24/350024024.db2.gz UOHONJNCPANWEW-ZDUSSCGKSA-N 2 0 280.416 0.945 10 0 CCAERP COCCNC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104444680 186004793 /nfs/dbraw/zinc/00/47/93/186004793.db2.gz HPSQWBFZXSJUJQ-QWRGUYRKSA-N 2 0 257.378 0.197 10 0 CCAERP CC[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000154653882 350595996 /nfs/dbraw/zinc/59/59/96/350595996.db2.gz WGFQBPBHBIOOQJ-DGCLKSJQSA-N 2 0 269.389 0.042 10 0 CCAERP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174903770 351109549 /nfs/dbraw/zinc/10/95/49/351109549.db2.gz NXCKILWJQAKNQI-UONOGXRCSA-N 2 0 282.432 0.352 10 0 CCAERP O=C(C[NH2+]CC1CC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186551376 351503914 /nfs/dbraw/zinc/50/39/14/351503914.db2.gz OXCRWVAKLWJBFW-GFCCVEGCSA-N 2 0 251.374 0.729 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188843573 351633490 /nfs/dbraw/zinc/63/34/90/351633490.db2.gz UHVICOQMCLUCDT-CMPLNLGQSA-N 2 0 257.353 0.675 10 0 CCAERP C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)n1 ZINC000188749982 351624509 /nfs/dbraw/zinc/62/45/09/351624509.db2.gz QCCRPGGWKOWPQC-VHSXEESVSA-N 2 0 269.324 0.083 10 0 CCAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000123238397 187079532 /nfs/dbraw/zinc/07/95/32/187079532.db2.gz QPTKIVSPBWRTBA-MGPQQGTHSA-N 2 0 255.406 0.779 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000131952937 137653215 /nfs/dbraw/zinc/65/32/15/137653215.db2.gz RJQWKWJWEUUYNV-ZDUSSCGKSA-N 2 0 265.401 0.977 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333696299 303837182 /nfs/dbraw/zinc/83/71/82/303837182.db2.gz QGZSOAQOPFMYJR-XQQFMLRXSA-N 2 0 266.389 0.522 10 0 CCAERP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000363747953 138093072 /nfs/dbraw/zinc/09/30/72/138093072.db2.gz UTGZFTPTSYVYFR-ZIAGYGMSSA-N 2 0 281.400 0.452 10 0 CCAERP CC(C)[NH+]1CCN(c2cc3c(nn2)CC[NH2+]C3)CC1 ZINC000584881691 359222687 /nfs/dbraw/zinc/22/26/87/359222687.db2.gz MQUCQHYQHMTCGK-UHFFFAOYSA-N 2 0 261.373 0.653 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000377588117 291191923 /nfs/dbraw/zinc/19/19/23/291191923.db2.gz OCNAAEWJWOQQSN-ZIAGYGMSSA-N 2 0 282.432 0.128 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335593895 212305939 /nfs/dbraw/zinc/30/59/39/212305939.db2.gz OKMCTRVDBSRPLJ-WCQYABFASA-N 2 0 253.390 0.975 10 0 CCAERP CC(=O)Nc1ccccc1[C@@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616602535 365382429 /nfs/dbraw/zinc/38/24/29/365382429.db2.gz LDUKHGXGDSZXFO-AWEZNQCLSA-N 2 0 262.357 0.550 10 0 CCAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOC3CCOCC3)C[C@@H]12 ZINC000629519759 369689271 /nfs/dbraw/zinc/68/92/71/369689271.db2.gz QXNMMACWLAJNHU-IACUBPJLSA-N 2 0 254.374 0.851 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOC3CCOCC3)C[C@H]12 ZINC000629519760 369689771 /nfs/dbraw/zinc/68/97/71/369689771.db2.gz QXNMMACWLAJNHU-KWCYVHTRSA-N 2 0 254.374 0.851 10 0 CCAERP CO[C@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@](C)(C[NH3+])C1 ZINC000630369401 370070338 /nfs/dbraw/zinc/07/03/38/370070338.db2.gz AWFVTNLDTQCHOW-OCCSQVGLSA-N 2 0 269.389 0.293 10 0 CCAERP [NH3+]C1CCC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634735621 372178049 /nfs/dbraw/zinc/17/80/49/372178049.db2.gz LLBJDMRGPSSLLG-BBCYWQGDSA-N 2 0 251.374 0.762 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765785 372212257 /nfs/dbraw/zinc/21/22/57/372212257.db2.gz DQXORCRQRDMPFA-GUTXKFCHSA-N 2 0 265.401 0.977 10 0 CCAERP CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC[NH+](C)CC1 ZINC000634770365 372220837 /nfs/dbraw/zinc/22/08/37/372220837.db2.gz JEOWVBVEGVFQAO-WFASDCNBSA-N 2 0 265.401 0.929 10 0 CCAERP C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1[NH3+] ZINC000333941372 205852092 /nfs/dbraw/zinc/85/20/92/205852092.db2.gz OYSSEGFZSJZKOR-BXUZGUMPSA-N 2 0 280.416 0.849 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638107777 374673961 /nfs/dbraw/zinc/67/39/61/374673961.db2.gz GPXBOXRFRSUAOK-UKRRQHHQSA-N 2 0 283.416 0.685 10 0 CCAERP COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC[NH2+]1 ZINC000638109202 374676535 /nfs/dbraw/zinc/67/65/35/374676535.db2.gz SKSXZGRMBAYPSD-HIFRSBDPSA-N 2 0 281.400 0.452 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638109988 374679038 /nfs/dbraw/zinc/67/90/38/374679038.db2.gz YSYYPFUCAMWNAG-OCCSQVGLSA-N 2 0 269.389 0.308 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334893539 207256273 /nfs/dbraw/zinc/25/62/73/207256273.db2.gz BWOOYJBFKHZYAX-CHWSQXEVSA-N 2 0 265.401 0.977 10 0 CCAERP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000246189519 285008763 /nfs/dbraw/zinc/00/87/63/285008763.db2.gz WDWWBALADAGTIP-QWHCGFSZSA-N 2 0 285.457 0.976 10 0 CCAERP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311064684 389100784 /nfs/dbraw/zinc/10/07/84/389100784.db2.gz KQPVPGIIHLLBQA-FRRDWIJNSA-N 2 0 251.374 0.666 10 0 CCAERP CC[N@H+](CCNC(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000219909802 389138733 /nfs/dbraw/zinc/13/87/33/389138733.db2.gz DCIAFDAXUYJOKM-LBPRGKRZSA-N 2 0 253.390 0.977 10 0 CCAERP CCNC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171588942 389477626 /nfs/dbraw/zinc/47/76/26/389477626.db2.gz JQCANOPMRUGTJT-ZDUSSCGKSA-N 2 0 285.432 0.537 10 0 CCAERP C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1C[NH2+]C1 ZINC000164609376 389436171 /nfs/dbraw/zinc/43/61/71/389436171.db2.gz HRIWOLYRHOPZJQ-NDNKKMJESA-N 2 0 265.401 0.973 10 0 CCAERP C[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCCC[NH2+]1 ZINC000334655723 389500262 /nfs/dbraw/zinc/50/02/62/389500262.db2.gz SVVZOEDKLBLPLW-ONGXEEELSA-N 2 0 261.316 0.632 10 0 CCAERP CC[C@H](C(N)=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408080930 389825784 /nfs/dbraw/zinc/82/57/84/389825784.db2.gz LRVUNUAMZFPTLQ-TZMCWYRMSA-N 2 0 282.432 0.351 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000647971240 390234529 /nfs/dbraw/zinc/23/45/29/390234529.db2.gz ZQONXQGEKJVOPZ-KGLIPLIRSA-N 2 0 257.422 0.571 10 0 CCAERP C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H]([NH3+])[C@H]1O ZINC000514287975 390466799 /nfs/dbraw/zinc/46/67/99/390466799.db2.gz CNCOSNYJXCHGAS-MELADBBJSA-N 2 0 250.342 0.248 10 0 biogenic,in-vitro CCAERP COCCC1(C(=O)NCC[NH+](C)C)CC[NH2+]CC1 ZINC000643770522 390539275 /nfs/dbraw/zinc/53/92/75/390539275.db2.gz JKGULQDCCZCGKB-UHFFFAOYSA-N 2 0 257.378 0.071 10 0 CCAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649303050 390562318 /nfs/dbraw/zinc/56/23/18/390562318.db2.gz QGDOKFURQTYNKM-ZDUSSCGKSA-N 2 0 283.416 0.555 10 0 CCAERP COC[C@]1(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000649310381 390569199 /nfs/dbraw/zinc/56/91/99/390569199.db2.gz AQWZFPFEMBYMNW-OCCSQVGLSA-N 2 0 269.389 0.213 10 0 CCAERP COCCC1(C(=O)N2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000647615147 390851839 /nfs/dbraw/zinc/85/18/39/390851839.db2.gz LRPSWMOSMXIIHR-UHFFFAOYSA-N 2 0 269.389 0.215 10 0 CCAERP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261879479 296586637 /nfs/dbraw/zinc/58/66/37/296586637.db2.gz TYBWKKUAOSWIBF-NZEXEKPDSA-N 2 0 253.390 0.864 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH+](C)C)CC1 ZINC000176442687 287085250 /nfs/dbraw/zinc/08/52/50/287085250.db2.gz LEGAHSCVQJPDIU-GFCCVEGCSA-N 2 0 271.405 0.099 10 0 CCAERP CCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000019426373 170795331 /nfs/dbraw/zinc/79/53/31/170795331.db2.gz HCLMGVDSRCOVAJ-OLZOCXBDSA-N 2 0 253.390 0.929 10 0 CCAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)NCC[NH+](C)C ZINC000020189380 171055851 /nfs/dbraw/zinc/05/58/51/171055851.db2.gz JJJWCROYQSQRIC-UHFFFAOYSA-N 2 0 271.386 0.294 10 0 CCAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653112747 412223983 /nfs/dbraw/zinc/22/39/83/412223983.db2.gz IYNQVBULRFMRMH-IVZWLZJFSA-N 2 0 281.322 0.841 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[N@H+](C)C1CC1 ZINC000653116760 412228530 /nfs/dbraw/zinc/22/85/30/412228530.db2.gz RIEQROQSJNYCOX-JMJZKYOTSA-N 2 0 293.333 0.983 10 0 CCAERP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000662263225 414702641 /nfs/dbraw/zinc/70/26/41/414702641.db2.gz LKLHROWSWRSJIZ-OLZOCXBDSA-N 2 0 251.374 0.287 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662623403 414734174 /nfs/dbraw/zinc/73/41/74/414734174.db2.gz XPKOUQKJIQGRSQ-GARJFASQSA-N 2 0 257.353 0.675 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071189834 176065322 /nfs/dbraw/zinc/06/53/22/176065322.db2.gz ZQLNSFHMSBRFBG-QWHCGFSZSA-N 2 0 253.390 0.786 10 0 CCAERP CSCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189571 176065859 /nfs/dbraw/zinc/06/58/59/176065859.db2.gz GEDDFIIMIUYNJU-QWRGUYRKSA-N 2 0 259.419 0.477 10 0 CCAERP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089460913 544514286 /nfs/dbraw/zinc/51/42/86/544514286.db2.gz ZQLZEBJTHTWRQH-QWHCGFSZSA-N 2 0 253.390 0.819 10 0 CCAERP C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000091667360 544528089 /nfs/dbraw/zinc/52/80/89/544528089.db2.gz ZVPSWZKIGLBJRU-TZMCWYRMSA-N 2 0 255.406 0.637 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000227053001 544832143 /nfs/dbraw/zinc/83/21/43/544832143.db2.gz WOLAVHLUHISBLV-KQTLUZQSSA-N 2 0 297.443 0.990 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250643843 544924030 /nfs/dbraw/zinc/92/40/30/544924030.db2.gz UOYRYBCWYNIUPI-UPJWGTAASA-N 2 0 253.390 0.819 10 0 CCAERP [NH3+]CCCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000098131054 649862065 /nfs/dbraw/zinc/86/20/65/649862065.db2.gz NJZPSJRRFRVTAU-OAHLLOKOSA-N 2 0 263.385 0.686 10 0 CCAERP CNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151111503 277230140 /nfs/dbraw/zinc/23/01/40/277230140.db2.gz TUGFTPNQBIQXTR-GFCCVEGCSA-N 2 0 262.357 0.870 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(C)(C)O)CC1 ZINC000105903242 278395120 /nfs/dbraw/zinc/39/51/20/278395120.db2.gz DZKAQRKZBDNJRU-GFCCVEGCSA-N 2 0 258.406 0.782 10 0 CCAERP CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333923519 279261487 /nfs/dbraw/zinc/26/14/87/279261487.db2.gz SGJVTIREKSICMQ-ZDUSSCGKSA-N 2 0 268.405 0.912 10 0 CCAERP CC1(C)CN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000334940246 281186731 /nfs/dbraw/zinc/18/67/31/281186731.db2.gz HQELORRDWMSAQF-MNOVXSKESA-N 2 0 254.378 0.507 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251533858 288304210 /nfs/dbraw/zinc/30/42/10/288304210.db2.gz ALOZUOLBHBCHHU-FVCCEPFGSA-N 2 0 251.374 0.809 10 0 CCAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000335369693 289195116 /nfs/dbraw/zinc/19/51/16/289195116.db2.gz WAXCISVWHMYRCH-JSGCOSHPSA-N 2 0 253.390 0.929 10 0 CCAERP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335295251 295252564 /nfs/dbraw/zinc/25/25/64/295252564.db2.gz PYIZSEUOQQEQST-DTWKUNHWSA-N 2 0 262.304 0.116 10 0 CCAERP [NH3+][C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000085361907 295338931 /nfs/dbraw/zinc/33/89/31/295338931.db2.gz CMONWQYYKADXAK-XQHKEYJVSA-N 2 0 251.374 0.857 10 0 CCAERP C[C@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000333626849 299935663 /nfs/dbraw/zinc/93/56/63/299935663.db2.gz FZCVZLISZDGMRQ-AAEUAGOBSA-N 2 0 266.389 0.675 10 0 CCAERP CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H](N2CC[NH2+]CC2)C1 ZINC000536961309 330384394 /nfs/dbraw/zinc/38/43/94/330384394.db2.gz YZIPTYWWQUNRHL-NWDGAFQWSA-N 2 0 269.389 0.211 10 0 CCAERP CC[NH2+][C@@H](CCN1CC[NH+]([C@H](C)CC)CC1)C(N)=O ZINC000062531900 520089357 /nfs/dbraw/zinc/08/93/57/520089357.db2.gz KIRQATCLSJTQAF-OLZOCXBDSA-N 2 0 270.421 0.256 10 0 CCAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+](CCOC)CCOC)O1 ZINC000052571479 522059632 /nfs/dbraw/zinc/05/96/32/522059632.db2.gz YRRMOKPIYXTVQL-STQMWFEESA-N 2 0 260.378 0.348 10 0 CCAERP COCCC[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075995 523374480 /nfs/dbraw/zinc/37/44/80/523374480.db2.gz NXBRNOBHXORDHY-UHFFFAOYSA-N 2 0 257.422 0.886 10 0 CCAERP COCC[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052572870 523619361 /nfs/dbraw/zinc/61/93/61/523619361.db2.gz ZYKNMBIPGPBMDI-UHFFFAOYSA-N 2 0 269.393 0.602 10 0 CCAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055063661 523958029 /nfs/dbraw/zinc/95/80/29/523958029.db2.gz RTBZPJGLMSAFAS-JSGCOSHPSA-N 2 0 265.405 0.836 10 0 CCAERP C[C@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055136307 524129989 /nfs/dbraw/zinc/12/99/89/524129989.db2.gz RIPAFWCVBDTQQN-UMSGYPCISA-N 2 0 253.390 0.960 10 0 CCAERP COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226466992 636986178 /nfs/dbraw/zinc/98/61/78/636986178.db2.gz HMFALDAHPJPFSA-CHWSQXEVSA-N 2 0 260.378 0.084 10 0 CCAERP C[NH+](C)C[C@@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000132296313 282127667 /nfs/dbraw/zinc/12/76/67/282127667.db2.gz YKWFBYKPQFADHK-CQSZACIVSA-N 2 0 255.406 0.735 10 0 CCAERP COC(=O)CCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000116398615 349870091 /nfs/dbraw/zinc/87/00/91/349870091.db2.gz IJVJGOYGQAJPCI-ZDUSSCGKSA-N 2 0 286.416 0.964 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117037462 349879755 /nfs/dbraw/zinc/87/97/55/349879755.db2.gz AKBALYQLWPYQGV-ZIAGYGMSSA-N 2 0 298.431 0.443 10 0 CCAERP CN(C(=O)C1C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261556745 137008071 /nfs/dbraw/zinc/00/80/71/137008071.db2.gz WGEVRLNYOJMUNN-HNNXBMFYSA-N 2 0 273.380 0.939 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000261827895 137021697 /nfs/dbraw/zinc/02/16/97/137021697.db2.gz ADDQRBUUYSPQTR-ZWNOBZJWSA-N 2 0 278.381 0.604 10 0 CCAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263292595 137062975 /nfs/dbraw/zinc/06/29/75/137062975.db2.gz VUUAJKCRZHQFHV-SWLSCSKDSA-N 2 0 287.367 0.246 10 0 CCAERP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1C[NH2+]C1 ZINC000263311156 137063938 /nfs/dbraw/zinc/06/39/38/137063938.db2.gz PHJVPHJQOPILSO-UHFFFAOYSA-N 2 0 295.427 0.605 10 0 CCAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C1C[NH2+]C1 ZINC000263322205 137064283 /nfs/dbraw/zinc/06/42/83/137064283.db2.gz RRPJVCJKCSSCJW-UHFFFAOYSA-N 2 0 279.359 0.935 10 0 CCAERP C[C@@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129737934 350221204 /nfs/dbraw/zinc/22/12/04/350221204.db2.gz HMOAKVOARMJWCU-AWEZNQCLSA-N 2 0 296.459 0.518 10 0 CCAERP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178756338 351244445 /nfs/dbraw/zinc/24/44/45/351244445.db2.gz RGXXSIVNJZDJJV-LBPRGKRZSA-N 2 0 283.441 0.778 10 0 CCAERP CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188186672 351578765 /nfs/dbraw/zinc/57/87/65/351578765.db2.gz VSLPPLVDCDXRLP-NWDGAFQWSA-N 2 0 257.353 0.535 10 0 CCAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000193590701 351834434 /nfs/dbraw/zinc/83/44/34/351834434.db2.gz DDVKZPSSMGLDKO-RISCZKNCSA-N 2 0 273.380 0.739 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(C[NH3+])CCOCC3)CC[C@H]21 ZINC000227331305 352043763 /nfs/dbraw/zinc/04/37/63/352043763.db2.gz XUYHMXGLZVSZFY-ZIAGYGMSSA-N 2 0 295.427 0.685 10 0 CCAERP CC(C)[N@@H+](C)CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246597188 352375368 /nfs/dbraw/zinc/37/53/68/352375368.db2.gz BDZAQLCLAJCRJV-STQMWFEESA-N 2 0 271.405 0.240 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246272599 352358784 /nfs/dbraw/zinc/35/87/84/352358784.db2.gz LXGBKIYREUDZHF-DGCLKSJQSA-N 2 0 257.353 0.631 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCC3CC[NH2+]CC3)C[C@H]12 ZINC000248591384 352447297 /nfs/dbraw/zinc/44/72/97/352447297.db2.gz HEVMVFGKZRMLHX-HZSPNIEDSA-N 2 0 265.401 0.962 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)C[C@H]12 ZINC000248629111 352449875 /nfs/dbraw/zinc/44/98/75/352449875.db2.gz ORSQHNGXCNEBJU-QLFBSQMISA-N 2 0 285.391 0.678 10 0 CCAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000249012596 352472956 /nfs/dbraw/zinc/47/29/56/352472956.db2.gz ZRAZMERICQKNKT-GXFFZTMASA-N 2 0 291.399 0.514 10 0 CCAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH+](C)CC2CC2)C1 ZINC000328655575 354246543 /nfs/dbraw/zinc/24/65/43/354246543.db2.gz YMFURVJPPJDPBK-OAHLLOKOSA-N 2 0 297.443 0.896 10 0 CCAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000336391071 355114372 /nfs/dbraw/zinc/11/43/72/355114372.db2.gz RPDWCGNSYPKLPG-TZMCWYRMSA-N 2 0 278.400 0.713 10 0 CCAERP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000408094435 357917550 /nfs/dbraw/zinc/91/75/50/357917550.db2.gz HEVXKQWOIOHXGP-JHJVBQTASA-N 2 0 289.445 0.198 10 0 CCAERP C[NH2+]CC1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333654539 283502143 /nfs/dbraw/zinc/50/21/43/283502143.db2.gz KIWUYRSBEIJDIJ-ZDUSSCGKSA-N 2 0 268.405 0.770 10 0 CCAERP Cc1cc(NC(=O)CC[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631840369 370706280 /nfs/dbraw/zinc/70/62/80/370706280.db2.gz SECWSCVGWCGPNI-ONGXEEELSA-N 2 0 266.345 0.260 10 0 CCAERP [NH3+]C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000333656942 205560055 /nfs/dbraw/zinc/56/00/55/205560055.db2.gz KVLWKHIYPZOXPJ-MJBXVCDLSA-N 2 0 280.416 0.755 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638114977 374680531 /nfs/dbraw/zinc/68/05/31/374680531.db2.gz DNTSAMDYTDRXFW-YPMHNXCESA-N 2 0 251.374 0.681 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638116314 374682311 /nfs/dbraw/zinc/68/23/11/374682311.db2.gz MDJKMNMISNWLIS-VNHYZAJKSA-N 2 0 281.400 0.437 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638116310 374683200 /nfs/dbraw/zinc/68/32/00/374683200.db2.gz MDJKMNMISNWLIS-NFAWXSAZSA-N 2 0 281.400 0.437 10 0 CCAERP CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000334887359 207246665 /nfs/dbraw/zinc/24/66/65/207246665.db2.gz YMAUBQREQKERQW-NSHDSACASA-N 2 0 254.378 0.474 10 0 CCAERP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C[NH3+] ZINC000261973006 296375153 /nfs/dbraw/zinc/37/51/53/296375153.db2.gz NFAZESZZQKRXPB-FDYHWXHSSA-N 2 0 253.390 0.947 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248961377 389251373 /nfs/dbraw/zinc/25/13/73/389251373.db2.gz HVQJOFQRNMJRGH-QWRGUYRKSA-N 2 0 289.383 0.364 10 0 CCAERP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000261633296 389273645 /nfs/dbraw/zinc/27/36/45/389273645.db2.gz BGECYQOVSVPQEY-OCCSQVGLSA-N 2 0 269.389 0.213 10 0 CCAERP 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COCCC1(C(=O)NCC[C@@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000662858015 414850074 /nfs/dbraw/zinc/85/00/74/414850074.db2.gz DKLSZKSJCUIHKM-CYBMUJFWSA-N 2 0 285.432 0.849 10 0 CCAERP COC[C@@H](O)C[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042508139 174763136 /nfs/dbraw/zinc/76/31/36/174763136.db2.gz NIXJUTZMIYUUQN-LBPRGKRZSA-N 2 0 251.330 0.410 10 0 CCAERP CCOC(=O)[C@@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150945 176045240 /nfs/dbraw/zinc/04/52/40/176045240.db2.gz DSNAHRWAILZZCC-LBPRGKRZSA-N 2 0 257.378 0.023 10 0 CCAERP CC[NH+]1CCN([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264328 545885337 /nfs/dbraw/zinc/88/53/37/545885337.db2.gz HQIBHTWENNNZAS-CHWSQXEVSA-N 2 0 253.390 0.520 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000098061770 544555853 /nfs/dbraw/zinc/55/58/53/544555853.db2.gz FKEYTZJJXPOGBN-VXGBXAGGSA-N 2 0 267.373 0.060 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000136424647 544638747 /nfs/dbraw/zinc/63/87/47/544638747.db2.gz UCIHOSYFJCJKRI-LSDHHAIUSA-N 2 0 298.475 0.748 10 0 CCAERP CC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000246248973 544909012 /nfs/dbraw/zinc/90/90/12/544909012.db2.gz JQNIFAVDQARWIH-QWHCGFSZSA-N 2 0 283.416 0.562 10 0 CCAERP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C1 ZINC000096957880 277188948 /nfs/dbraw/zinc/18/89/48/277188948.db2.gz XFYAVPDNNNKVPI-GHMZBOCLSA-N 2 0 255.362 0.886 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333919016 288317976 /nfs/dbraw/zinc/31/79/76/288317976.db2.gz ORGOIPUJECLTHJ-MROQNXINSA-N 2 0 266.389 0.378 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399095968 545089159 /nfs/dbraw/zinc/08/91/59/545089159.db2.gz SNQGOLSZUZOMQU-AJNGGQMLSA-N 2 0 270.417 0.780 10 0 CCAERP CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000389132469 545086364 /nfs/dbraw/zinc/08/63/64/545086364.db2.gz FKBJVLJKAMRXQB-LBPRGKRZSA-N 2 0 269.389 0.342 10 0 CCAERP C[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCC[NH2+]1 ZINC000334590175 297864083 /nfs/dbraw/zinc/86/40/83/297864083.db2.gz NCEDGBALGSKFPY-UONOGXRCSA-N 2 0 251.374 0.731 10 0 CCAERP [NH3+]C[C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000335180925 303402749 /nfs/dbraw/zinc/40/27/49/303402749.db2.gz MWFZTFYGUZFRDS-RYUDHWBXSA-N 2 0 254.378 0.509 10 0 CCAERP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000248592680 303431916 /nfs/dbraw/zinc/43/19/16/303431916.db2.gz HLRFVKAQKVJCRW-MELADBBJSA-N 2 0 259.353 0.955 10 0 CCAERP CCC[NH2+][C@@H](C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061644038 519986676 /nfs/dbraw/zinc/98/66/76/519986676.db2.gz PVNXRGNDWZVYPH-AWEZNQCLSA-N 2 0 256.438 0.554 10 0 CCAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCCN(C(C)=O)CC1 ZINC000062741164 520515889 /nfs/dbraw/zinc/51/58/89/520515889.db2.gz JRYLWRMIKGVDFB-ZDUSSCGKSA-N 2 0 257.378 0.295 10 0 CCAERP C[NH+](C)CCN1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000061653808 521764659 /nfs/dbraw/zinc/76/46/59/521764659.db2.gz ZXGRIUPEWJVBLH-GJZGRUSLSA-N 2 0 268.449 0.683 10 0 CCAERP CCC[NH2+]CCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654981 519912528 /nfs/dbraw/zinc/91/25/28/519912528.db2.gz MGWXNQKLAWPAKQ-UHFFFAOYSA-N 3 0 270.465 0.945 10 0 CCAERP CC[N@H+](CCn1cc(C[NH2+]C)nn1)[C@@H](C)COC ZINC000052504867 521184540 /nfs/dbraw/zinc/18/45/40/521184540.db2.gz UFTJUNNFRANUAB-NSHDSACASA-N 2 0 255.366 0.354 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000049225186 521647451 /nfs/dbraw/zinc/64/74/51/521647451.db2.gz CBXNPGAJTVFGPA-XQQFMLRXSA-N 2 0 253.390 0.975 10 0 CCAERP C[NH+](C)C[C@H]1CCCN1CCN1CCC[NH2+]CC1 ZINC000061652374 521869503 /nfs/dbraw/zinc/86/95/03/521869503.db2.gz WPZKPJSEWKVZSA-CQSZACIVSA-N 2 0 254.422 0.308 10 0 CCAERP CC[C@@H](C)[NH+]1CCN(CCn2cc(C[NH3+])nn2)CC1 ZINC000055074217 522122678 /nfs/dbraw/zinc/12/26/78/522122678.db2.gz YBMICIBQOVLXAH-GFCCVEGCSA-N 2 0 266.393 0.153 10 0 CCAERP CC[C@@H](C)[NH+]1CCN(C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000055072052 522123382 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267.417 0.613 10 0 CCAERP CC(C)OC[C@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072964 630979667 /nfs/dbraw/zinc/97/96/67/630979667.db2.gz GUGFLWLWMXPNPK-CYBMUJFWSA-N 2 0 274.405 0.602 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000111273616 633839028 /nfs/dbraw/zinc/83/90/28/633839028.db2.gz DWSTZBLZXXIPGV-RDBSUJKOSA-N 2 0 253.390 0.248 10 0 CCAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116790703 349873058 /nfs/dbraw/zinc/87/30/58/349873058.db2.gz WLBONNFTKWHGRQ-KGLIPLIRSA-N 2 0 283.416 0.650 10 0 CCAERP C[C@@H]([NH3+])CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000261864621 137023481 /nfs/dbraw/zinc/02/34/81/137023481.db2.gz PYKNCWCKGXPRJV-NEPJUHHUSA-N 2 0 269.389 0.435 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261895196 137024613 /nfs/dbraw/zinc/02/46/13/137024613.db2.gz VRGWVLLBAOETTA-RBSFLKMASA-N 2 0 295.427 0.542 10 0 CCAERP COc1c(C)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000263151915 137059254 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C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000167515414 350811021 /nfs/dbraw/zinc/81/10/21/350811021.db2.gz TWKYXMIIAPCSGU-AGIUHOORSA-N 2 0 251.374 0.539 10 0 CCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH+](C)C)CC1 ZINC000176442668 351174012 /nfs/dbraw/zinc/17/40/12/351174012.db2.gz LEGAHSCVQJPDIU-LBPRGKRZSA-N 2 0 271.405 0.099 10 0 CCAERP CC(C)[NH2+]CCN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191511604 351761866 /nfs/dbraw/zinc/76/18/66/351761866.db2.gz CBQRRYWEWCQSJH-CQSZACIVSA-N 2 0 255.406 0.639 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000221671947 351979574 /nfs/dbraw/zinc/97/95/74/351979574.db2.gz HPWLDCUNBPDVSQ-CHWSQXEVSA-N 2 0 269.389 0.354 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000226693833 352032171 /nfs/dbraw/zinc/03/21/71/352032171.db2.gz QXNWPLCYWZOILF-MGPQQGTHSA-N 2 0 283.416 0.602 10 0 CCAERP CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000226806791 352035035 /nfs/dbraw/zinc/03/50/35/352035035.db2.gz BXMNAERMSBBWFB-KBPBESRZSA-N 2 0 294.443 0.413 10 0 CCAERP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237167813 352249624 /nfs/dbraw/zinc/24/96/24/352249624.db2.gz KRKRRKUIZRMMSU-KGLIPLIRSA-N 2 0 283.416 0.413 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246901524 352387860 /nfs/dbraw/zinc/38/78/60/352387860.db2.gz AKBALYQLWPYQGV-KBPBESRZSA-N 2 0 298.431 0.443 10 0 CCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247372751 352410779 /nfs/dbraw/zinc/41/07/79/352410779.db2.gz FHDWJOWTKBNHJS-HIFRSBDPSA-N 2 0 292.427 0.960 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]C1CC1 ZINC000251794899 352511388 /nfs/dbraw/zinc/51/13/88/352511388.db2.gz NQGYAFQTNWXFER-AAEUAGOBSA-N 2 0 251.374 0.824 10 0 CCAERP O[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[NH+]1CCCCC1 ZINC000568257570 358657595 /nfs/dbraw/zinc/65/75/95/358657595.db2.gz QMWLBOVROLBENG-BFHYXJOUSA-N 2 0 256.390 0.726 10 0 CCAERP CCc1nnc(CN2CCC([C@H](C)[NH3+])CC2)n1C ZINC000564454248 291280801 /nfs/dbraw/zinc/28/08/01/291280801.db2.gz QIVGMXKEAKKKRW-JTQLQIEISA-N 2 0 251.378 0.937 10 0 CCAERP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000631840701 370706566 /nfs/dbraw/zinc/70/65/66/370706566.db2.gz UPODXOMZQFLQTO-UPJWGTAASA-N 2 0 289.445 0.185 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc2ccnnc21 ZINC000616636654 365397842 /nfs/dbraw/zinc/39/78/42/365397842.db2.gz XQEUFSKMJDZIJA-ZDUSSCGKSA-N 2 0 257.341 0.535 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc2nnccc21 ZINC000616637341 365397989 /nfs/dbraw/zinc/39/79/89/365397989.db2.gz VQIYQYDGCIAGDJ-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP CC(C)[N@H+](C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767216 372214616 /nfs/dbraw/zinc/21/46/16/372214616.db2.gz NOBJFDARQINFKW-JSGCOSHPSA-N 2 0 253.390 0.833 10 0 CCAERP C[C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000333569646 205451706 /nfs/dbraw/zinc/45/17/06/205451706.db2.gz MFYDHNGXPCGQHJ-NTZNESFSSA-N 2 0 291.399 0.306 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638081315 374638993 /nfs/dbraw/zinc/63/89/93/374638993.db2.gz XQJRBOWDTUZDIF-OUCADQQQSA-N 2 0 269.389 0.354 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638109292 374675335 /nfs/dbraw/zinc/67/53/35/374675335.db2.gz TUDLYLFIIQNSTK-NFAWXSAZSA-N 2 0 283.416 0.696 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638114887 374680380 /nfs/dbraw/zinc/68/03/80/374680380.db2.gz CKJPKIRLZAYBGX-MBNYWOFBSA-N 2 0 267.373 0.060 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638114975 374680627 /nfs/dbraw/zinc/68/06/27/374680627.db2.gz DNTSAMDYTDRXFW-DGCLKSJQSA-N 2 0 251.374 0.681 10 0 CCAERP COC[C@@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CCCC[NH2+]1 ZINC000638276202 374879193 /nfs/dbraw/zinc/87/91/93/374879193.db2.gz RJYQGSVYNBJASP-TZMCWYRMSA-N 2 0 269.389 0.308 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000334884101 207241390 /nfs/dbraw/zinc/24/13/90/207241390.db2.gz PAODEVXIZKBAMU-LBPRGKRZSA-N 2 0 268.405 0.863 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186489846 388839042 /nfs/dbraw/zinc/83/90/42/388839042.db2.gz NFWCNVOPFWLARY-RYUDHWBXSA-N 2 0 251.374 0.729 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310921474 389100166 /nfs/dbraw/zinc/10/01/66/389100166.db2.gz HGHJOEQFVPOEHD-RAIGVLPGSA-N 2 0 251.374 0.395 10 0 CCAERP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311081550 389102140 /nfs/dbraw/zinc/10/21/40/389102140.db2.gz NTNGVMMLMPIFMU-QWHCGFSZSA-N 2 0 251.374 0.539 10 0 CCAERP CC[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000245564290 389213350 /nfs/dbraw/zinc/21/33/50/389213350.db2.gz WGFQBPBHBIOOQJ-WCQYABFASA-N 2 0 269.389 0.042 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CC(C)(C)[NH3+])CC1 ZINC000179855026 389663580 /nfs/dbraw/zinc/66/35/80/389663580.db2.gz XZHPTGYDNYNTHT-GFCCVEGCSA-N 2 0 285.432 0.665 10 0 CCAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CCCCC1 ZINC000643618403 390473698 /nfs/dbraw/zinc/47/36/98/390473698.db2.gz NLTHBOAFFXSDTQ-CYBMUJFWSA-N 2 0 283.416 0.603 10 0 CCAERP COC[C@]1(C(=O)NCC(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC000649276970 390545781 /nfs/dbraw/zinc/54/57/81/390545781.db2.gz YHDSCLFOPWFXSD-AWEZNQCLSA-N 2 0 271.405 0.459 10 0 CCAERP COC[C@@]1(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000649299064 390558516 /nfs/dbraw/zinc/55/85/16/390558516.db2.gz WTVRGBVAFFVIJB-UKRRQHHQSA-N 2 0 283.416 0.555 10 0 CCAERP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000649308104 390568249 /nfs/dbraw/zinc/56/82/49/390568249.db2.gz KGBMVIRNEYZNCP-SMDDNHRTSA-N 2 0 267.373 0.108 10 0 CCAERP COC[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000649316915 390574977 /nfs/dbraw/zinc/57/49/77/390574977.db2.gz ZBOHWCBGVKIDRM-UKRRQHHQSA-N 2 0 281.400 0.452 10 0 CCAERP COC[C@@]1(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000649318379 390576127 /nfs/dbraw/zinc/57/61/27/390576127.db2.gz CRDATDGRWYHBMQ-TZMCWYRMSA-N 2 0 269.389 0.308 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649337544 390593440 /nfs/dbraw/zinc/59/34/40/390593440.db2.gz SQOPZQAZHXVMNK-MGPQQGTHSA-N 2 0 281.400 0.308 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649374065 390609258 /nfs/dbraw/zinc/60/92/58/390609258.db2.gz NAEXFTYGCFHXNU-ZDUSSCGKSA-N 2 0 269.389 0.023 10 0 CCAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000572401112 390781558 /nfs/dbraw/zinc/78/15/58/390781558.db2.gz TWKYXMIIAPCSGU-AVGNSLFASA-N 2 0 251.374 0.539 10 0 CCAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[N@H+](C)CC2)CC1 ZINC000020217749 171079749 /nfs/dbraw/zinc/07/97/49/171079749.db2.gz RMBFDRQFYHQDCR-UHFFFAOYSA-N 3 0 268.449 0.827 10 0 CCAERP CC[NH+]1CCN(CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022168276 171366862 /nfs/dbraw/zinc/36/68/62/171366862.db2.gz SWQVCXFZKHCYIU-UHFFFAOYSA-N 2 0 276.384 0.721 10 0 CCAERP CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022169457 171367321 /nfs/dbraw/zinc/36/73/21/171367321.db2.gz FOJDQNQUBCJVMI-UHFFFAOYSA-N 2 0 297.424 0.860 10 0 CCAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc3c(c2)OCCO3)CC1 ZINC000032049419 171691011 /nfs/dbraw/zinc/69/10/11/171691011.db2.gz YGBPOYLRZYIMON-CYBMUJFWSA-N 2 0 277.368 0.705 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264143 414702421 /nfs/dbraw/zinc/70/24/21/414702421.db2.gz RLQZXRCZYZTPQP-KGLIPLIRSA-N 2 0 267.417 0.924 10 0 CCAERP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000662263224 414702556 /nfs/dbraw/zinc/70/25/56/414702556.db2.gz LKLHROWSWRSJIZ-CHWSQXEVSA-N 2 0 251.374 0.287 10 0 CCAERP COCC[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H](C)C1CC1 ZINC000044415380 175172747 /nfs/dbraw/zinc/17/27/47/175172747.db2.gz ZIQTYLBVWNWXKR-LBPRGKRZSA-N 2 0 269.389 0.165 10 0 CCAERP C[NH+](C)CCC[N@@H+]1CC[C@H](CN2CC[NH2+]CC2)C1 ZINC000071575943 176203248 /nfs/dbraw/zinc/20/32/48/176203248.db2.gz JNLOMOHCXNFITI-AWEZNQCLSA-N 3 0 254.422 0.165 10 0 CCAERP C[NH+](C)[C@@H]1CCCN([C@@H]2C[C@H]([NH3+])C23CCOCC3)C1 ZINC000725264574 545884347 /nfs/dbraw/zinc/88/43/47/545884347.db2.gz XFKZJJBPEHFCSC-HZSPNIEDSA-N 2 0 267.417 0.909 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000098061760 544556078 /nfs/dbraw/zinc/55/60/78/544556078.db2.gz CWZFKDSDZSZHOC-LBPRGKRZSA-N 2 0 269.389 0.308 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000157873835 544685234 /nfs/dbraw/zinc/68/52/34/544685234.db2.gz GQJWKDCJRLGSNV-FDYHWXHSSA-N 2 0 253.390 0.960 10 0 CCAERP C[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000234229682 544867853 /nfs/dbraw/zinc/86/78/53/544867853.db2.gz DERGZIFLEURHJQ-RYUDHWBXSA-N 2 0 257.378 0.056 10 0 CCAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000262151609 544942007 /nfs/dbraw/zinc/94/20/07/544942007.db2.gz RGFUBOSPZOOKGD-ZFWWWQNUSA-N 2 0 272.352 0.542 10 0 CCAERP O=C(NC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000333729413 545042499 /nfs/dbraw/zinc/04/24/99/545042499.db2.gz HQDUGFIEVSWYJK-OCCSQVGLSA-N 2 0 280.416 0.912 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000311135160 545012546 /nfs/dbraw/zinc/01/25/46/545012546.db2.gz KGFYVJAGTTVYBE-MCIONIFRSA-N 2 0 257.422 0.569 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000262153454 275054664 /nfs/dbraw/zinc/05/46/64/275054664.db2.gz RMYZJYXNVYFMLJ-KWCYVHTRSA-N 2 0 266.772 0.977 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000262153455 275054710 /nfs/dbraw/zinc/05/47/10/275054710.db2.gz RMYZJYXNVYFMLJ-MRVWCRGKSA-N 2 0 266.772 0.977 10 0 CCAERP CC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000178775068 280345352 /nfs/dbraw/zinc/34/53/52/280345352.db2.gz JQNIFAVDQARWIH-CHWSQXEVSA-N 2 0 283.416 0.562 10 0 CCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000117025181 289198041 /nfs/dbraw/zinc/19/80/41/289198041.db2.gz PJMGDVJTIOGEDL-CYBMUJFWSA-N 2 0 284.404 0.053 10 0 CCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333491972 289199479 /nfs/dbraw/zinc/19/94/79/289199479.db2.gz DKSQWODHHFHBBA-QWHCGFSZSA-N 2 0 284.404 0.101 10 0 CCAERP C[NH+](C)C[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000245704266 289217842 /nfs/dbraw/zinc/21/78/42/289217842.db2.gz YBXSXQNMWFETMC-KBPBESRZSA-N 2 0 255.406 0.733 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334938792 303405061 /nfs/dbraw/zinc/40/50/61/303405061.db2.gz BXTYTZRRDYIKOF-STQMWFEESA-N 2 0 280.416 0.899 10 0 CCAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000335028458 304842412 /nfs/dbraw/zinc/84/24/12/304842412.db2.gz LCTWCHLCSIYPQN-QMSHFQNASA-N 2 0 250.386 0.981 10 0 CCAERP Cc1[nH+]ccc(NCC(=O)N2CC[NH2+]CC2)c1Cl ZINC000394037584 329095534 /nfs/dbraw/zinc/09/55/34/329095534.db2.gz AVQOACSYZZPAQT-UHFFFAOYSA-N 2 0 268.748 0.309 10 0 CCAERP CC(C)(C)OC(=O)N1CCC(C[NH3+])(C[C@H](O)C[NH3+])CC1 ZINC000536955356 330383023 /nfs/dbraw/zinc/38/30/23/330383023.db2.gz PUSMJLUTMSCAPM-NSHDSACASA-N 2 0 287.404 0.672 10 0 CCAERP CC(C)(C)[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052571651 518711063 /nfs/dbraw/zinc/71/10/63/518711063.db2.gz CLBOVGJAZSRQGN-STQMWFEESA-N 2 0 255.406 0.909 10 0 CCAERP CCOCC[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055076051 519966717 /nfs/dbraw/zinc/96/67/17/519966717.db2.gz ZIQKHMFEKJZPML-UHFFFAOYSA-N 2 0 257.422 0.886 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)CC[NH2+]C(C)C ZINC000049641499 520687474 /nfs/dbraw/zinc/68/74/74/520687474.db2.gz YSKQPCDYJPCRMQ-UHFFFAOYSA-N 2 0 265.423 0.246 10 0 CCAERP C[C@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055130374 524383028 /nfs/dbraw/zinc/38/30/28/524383028.db2.gz ARKZBTSNEZUQOS-CYDGBPFRSA-N 2 0 253.390 0.818 10 0 CCAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055136286 524769372 /nfs/dbraw/zinc/76/93/72/524769372.db2.gz WCENWYOSIQNWPH-RVMXOQNASA-N 2 0 253.390 0.960 10 0 CCAERP [NH3+]C[C@@]1([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000669377316 545206055 /nfs/dbraw/zinc/20/60/55/545206055.db2.gz MGLYWXSENOHVKE-JKSUJKDBSA-N 2 0 276.380 0.989 10 0 CCAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C[C@H]1C ZINC000263302116 535563967 /nfs/dbraw/zinc/56/39/67/535563967.db2.gz XEIZPPAAVAZDNF-MBJXGIAVSA-N 2 0 284.400 0.524 10 0 CCAERP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261906173 535678371 /nfs/dbraw/zinc/67/83/71/535678371.db2.gz WXKUCBNJOLLFFT-HUUCEWRRSA-N 2 0 296.459 0.600 10 0 CCAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311850549 536353107 /nfs/dbraw/zinc/35/31/07/536353107.db2.gz OOBYGLOJVPDVNF-OCCSQVGLSA-N 2 0 269.389 0.173 10 0 CCAERP CC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126876 613673886 /nfs/dbraw/zinc/67/38/86/613673886.db2.gz IGYLVNQQWIFJGJ-CYBMUJFWSA-N 2 0 256.390 0.990 10 0 CCAERP CC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106126875 613673976 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C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000262418829 137043067 /nfs/dbraw/zinc/04/30/67/137043067.db2.gz ROBYOZRHPJRWPS-GXTWGEPZSA-N 2 0 265.401 0.929 10 0 CCAERP O=C(NCC[N@@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000262262679 137033533 /nfs/dbraw/zinc/03/35/33/137033533.db2.gz RHJWWNAFGNUYCB-UHFFFAOYSA-N 2 0 259.353 0.380 10 0 CCAERP C[C@@H](CNC(=O)C1C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000263227262 137060736 /nfs/dbraw/zinc/06/07/36/137060736.db2.gz AHCUSYPJZWNFNS-LBPRGKRZSA-N 2 0 273.380 0.769 10 0 CCAERP C[N@H+](CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000037901348 348217658 /nfs/dbraw/zinc/21/76/58/348217658.db2.gz ZGWVZZDQRQKPBJ-KBPBESRZSA-N 2 0 283.416 0.480 10 0 CCAERP C[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)C[C@@H]1[NH+](C)C ZINC000124187331 350091210 /nfs/dbraw/zinc/09/12/10/350091210.db2.gz BFHHITUXWVENKM-UWVGGRQHSA-N 2 0 267.377 0.645 10 0 CCAERP CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000129626042 350218747 /nfs/dbraw/zinc/21/87/47/350218747.db2.gz 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[NH3+]CC1(C(=O)N=c2ccn([C@@H]3CC[NH2+]C3)[nH]2)CCCC1 ZINC000547691801 390390657 /nfs/dbraw/zinc/39/06/57/390390657.db2.gz ZNEAEBQRYDYZEX-LLVKDONJSA-N 2 0 277.372 0.297 10 0 CCAERP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649280961 390548267 /nfs/dbraw/zinc/54/82/67/390548267.db2.gz YKTWQFDZOQFKDD-LBPRGKRZSA-N 2 0 269.389 0.213 10 0 CCAERP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649297734 390557636 /nfs/dbraw/zinc/55/76/36/390557636.db2.gz UKFHBEFTVISGQN-GUTXKFCHSA-N 2 0 281.400 0.498 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000649305302 390564816 /nfs/dbraw/zinc/56/48/16/390564816.db2.gz LJRWABUURRZKHA-HNNXBMFYSA-N 2 0 283.416 0.603 10 0 CCAERP COC[C@]1(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000649318378 390575517 /nfs/dbraw/zinc/57/55/17/390575517.db2.gz CRDATDGRWYHBMQ-OCCSQVGLSA-N 2 0 269.389 0.308 10 0 CCAERP COC1(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]CC1 ZINC000193523688 292097501 /nfs/dbraw/zinc/09/75/01/292097501.db2.gz MTIOUAMJGOWELR-QWRGUYRKSA-N 2 0 255.362 0.012 10 0 CCAERP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000111269866 297110063 /nfs/dbraw/zinc/11/00/63/297110063.db2.gz YCHBTMRZOMMJKL-CABCVRRESA-N 3 0 298.475 0.574 10 0 CCAERP C[C@@H]1CN(C(=O)N(C)C2CC([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000334958469 296818197 /nfs/dbraw/zinc/81/81/97/296818197.db2.gz VXZQIUNZQIUACW-ZUYNKMSQSA-N 2 0 254.378 0.445 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCCC[NH3+])C[C@H]1C ZINC000167976995 287088539 /nfs/dbraw/zinc/08/85/39/287088539.db2.gz PERLGQYCWNBHCB-ZIAGYGMSSA-N 2 0 285.432 0.809 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@@H](C)C2C[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000262467695 287148942 /nfs/dbraw/zinc/14/89/42/287148942.db2.gz XZDUDORNEWUIAI-SGMGOOAPSA-N 2 0 283.416 0.146 10 0 CCAERP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062980300 411688437 /nfs/dbraw/zinc/68/84/37/411688437.db2.gz BXFOUXRBRYUDHU-KBPBESRZSA-N 2 0 253.390 0.393 10 0 CCAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)NCCC[NH+](C)C 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0.114 10 0 CCAERP CSCC[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258302 545881460 /nfs/dbraw/zinc/88/14/60/545881460.db2.gz NRWNVRIUGBWORQ-SECBINFHSA-N 2 0 255.391 0.520 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000235288008 544873885 /nfs/dbraw/zinc/87/38/85/544873885.db2.gz JQWBNCXXCRCHAY-RKFYDKJMSA-N 2 0 265.401 0.973 10 0 CCAERP CCN1CCO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250200853 544921765 /nfs/dbraw/zinc/92/17/65/544921765.db2.gz BJRCVJBQMOESAL-QLFBSQMISA-N 2 0 267.417 0.924 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000252920171 544931266 /nfs/dbraw/zinc/93/12/66/544931266.db2.gz FKEYTZJJXPOGBN-RYUDHWBXSA-N 2 0 267.373 0.060 10 0 CCAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CC[NH2+]1 ZINC000300137435 544979699 /nfs/dbraw/zinc/97/96/99/544979699.db2.gz IUCFWYKYTUZMOO-RBSFLKMASA-N 2 0 267.417 0.781 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000334886645 279480895 /nfs/dbraw/zinc/48/08/95/279480895.db2.gz XJOXZFMJJFKWMJ-AAEUAGOBSA-N 2 0 268.405 0.848 10 0 CCAERP [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000335180922 295251550 /nfs/dbraw/zinc/25/15/50/295251550.db2.gz MWFZTFYGUZFRDS-NWDGAFQWSA-N 2 0 254.378 0.509 10 0 CCAERP C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1[NH3+] ZINC000335378733 300120021 /nfs/dbraw/zinc/12/00/21/300120021.db2.gz HAPBOACQPHVNCL-GWCFXTLKSA-N 2 0 251.374 0.666 10 0 CCAERP C[C@]1(CNC(=O)N2CCC3(CC[NH2+]3)CC2)CCC[NH2+]C1 ZINC000333316054 300798403 /nfs/dbraw/zinc/79/84/03/300798403.db2.gz STVLWWQCYALVOI-AWEZNQCLSA-N 2 0 280.416 0.914 10 0 CCAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261740936 303432559 /nfs/dbraw/zinc/43/25/59/303432559.db2.gz KLZZGPQCHTVOJB-HIFRSBDPSA-N 2 0 289.379 0.931 10 0 CCAERP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000381166831 327134667 /nfs/dbraw/zinc/13/46/67/327134667.db2.gz URDKFGCSLDCMCK-ZIAGYGMSSA-N 2 0 255.406 0.469 10 0 CCAERP CC(C)[C@@H]([NH3+])CCN(C)c1cc[nH+]cc1C(N)=O ZINC000399181805 329449085 /nfs/dbraw/zinc/44/90/85/329449085.db2.gz LVKXSAOACNVJTD-NSHDSACASA-N 2 0 250.346 0.990 10 0 CCAERP CCc1nnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1C ZINC000581549078 336100616 /nfs/dbraw/zinc/10/06/16/336100616.db2.gz QOCZXZGQUMNXEN-TXEJJXNPSA-N 2 0 263.389 0.809 10 0 CCAERP CCC[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052422007 519858532 /nfs/dbraw/zinc/85/85/32/519858532.db2.gz RBQLVLNPMOHUEG-ZIAGYGMSSA-N 2 0 255.406 0.781 10 0 CCAERP CCC[NH2+]C[C@@H](O)CN1CC[NH+](CC(C)C)CC1 ZINC000055078614 519921988 /nfs/dbraw/zinc/92/19/88/519921988.db2.gz AIGCJFFPBWUWIC-CQSZACIVSA-N 2 0 257.422 0.621 10 0 CCAERP CCC[C@](C)([NH3+])CN1CCN(CC[NH+](C)C)CC1 ZINC000061652510 521278459 /nfs/dbraw/zinc/27/84/59/521278459.db2.gz NLIKGNGAYSWRKC-AWEZNQCLSA-N 2 0 256.438 0.683 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCC[NH3+])C1 ZINC000049204344 521624477 /nfs/dbraw/zinc/62/44/77/521624477.db2.gz LIEWECXUJJCENG-LLVKDONJSA-N 2 0 263.407 0.129 10 0 CCAERP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631554 524477135 /nfs/dbraw/zinc/47/71/35/524477135.db2.gz UEVTVUUEKRNSQH-NWDGAFQWSA-N 2 0 277.434 0.388 10 0 CCAERP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1C ZINC000157848008 524799720 /nfs/dbraw/zinc/79/97/20/524799720.db2.gz UIYFQJSWQRUVJT-YFKTTZPYSA-N 2 0 255.362 0.092 10 0 CCAERP [NH3+]CCN1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000049327458 527185763 /nfs/dbraw/zinc/18/57/63/527185763.db2.gz GENHOBUUTLXQEM-UHFFFAOYSA-N 2 0 251.378 0.240 10 0 CCAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000262513705 535952483 /nfs/dbraw/zinc/95/24/83/535952483.db2.gz BZIQOJRVNIJBHO-USZNOCQGSA-N 2 0 273.446 0.864 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000310667884 623438286 /nfs/dbraw/zinc/43/82/86/623438286.db2.gz FKHQXKICPSQGEP-KGYLQXTDSA-N 2 0 251.374 0.809 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000223937141 636912691 /nfs/dbraw/zinc/91/26/91/636912691.db2.gz DWSTZBLZXXIPGV-HZSPNIEDSA-N 2 0 253.390 0.248 10 0 CCAERP CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845855 349725199 /nfs/dbraw/zinc/72/51/99/349725199.db2.gz SGYADYMDGGRTTR-CQSZACIVSA-N 2 0 255.406 0.733 10 0 CCAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000105269530 349721957 /nfs/dbraw/zinc/72/19/57/349721957.db2.gz NJAMLIJDTHDSAZ-DGCLKSJQSA-N 2 0 268.405 0.815 10 0 CCAERP CC[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111272051 349769321 /nfs/dbraw/zinc/76/93/21/349769321.db2.gz IEDRURGVMXOAQQ-DGCLKSJQSA-N 2 0 253.390 0.690 10 0 CCAERP CCC[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000162130399 290738531 /nfs/dbraw/zinc/73/85/31/290738531.db2.gz ZWEAUBBEZZTLBU-ZIAGYGMSSA-N 2 0 284.448 0.469 10 0 CCAERP CCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000262516100 137045936 /nfs/dbraw/zinc/04/59/36/137045936.db2.gz CSBCSZCMLAMGKY-AXFHLTTASA-N 2 0 259.419 0.618 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000261780794 137019400 /nfs/dbraw/zinc/01/94/00/137019400.db2.gz LDFBCCSOEUYIKR-MGPQQGTHSA-N 2 0 282.432 0.114 10 0 CCAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000261827892 137021504 /nfs/dbraw/zinc/02/15/04/137021504.db2.gz ADDQRBUUYSPQTR-MFKMUULPSA-N 2 0 278.381 0.604 10 0 CCAERP C[C@@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000261838256 137021912 /nfs/dbraw/zinc/02/19/12/137021912.db2.gz PGNJDTCEIWWLFB-JHJVBQTASA-N 2 0 253.390 0.962 10 0 CCAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037019537 348180303 /nfs/dbraw/zinc/18/03/03/348180303.db2.gz IACRMPDZKPFPMJ-OLZOCXBDSA-N 2 0 263.341 0.410 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000040629738 348239546 /nfs/dbraw/zinc/23/95/46/348239546.db2.gz XHTCIFLQRATBQU-CHWSQXEVSA-N 2 0 271.405 0.598 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290347 348548119 /nfs/dbraw/zinc/54/81/19/348548119.db2.gz VGLGBLYDXFNCBR-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP CC[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308321 348549771 /nfs/dbraw/zinc/54/97/71/348549771.db2.gz WYVOBHKHAYOADC-GFCCVEGCSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000083704061 349309976 /nfs/dbraw/zinc/30/99/76/349309976.db2.gz PSNCRBOWNGNBOK-XQQFMLRXSA-N 2 0 251.374 0.824 10 0 CCAERP CCC[C@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+](C)C ZINC000161602067 350725810 /nfs/dbraw/zinc/72/58/10/350725810.db2.gz CIRHMZMVWHESSA-CQSZACIVSA-N 2 0 285.432 0.945 10 0 CCAERP COC[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000167889396 350815552 /nfs/dbraw/zinc/81/55/52/350815552.db2.gz NHKCYNGWOHDIRP-CYBMUJFWSA-N 2 0 271.405 0.539 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000168420912 350825615 /nfs/dbraw/zinc/82/56/15/350825615.db2.gz LXGBKIYREUDZHF-AAEUAGOBSA-N 2 0 257.353 0.631 10 0 CCAERP C[NH+](C)C[C@@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000179245038 351261986 /nfs/dbraw/zinc/26/19/86/351261986.db2.gz CJTHQIDKKATABM-CQSZACIVSA-N 2 0 255.406 0.735 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc[nH]2)CC1 ZINC000179516393 351269585 /nfs/dbraw/zinc/26/95/85/351269585.db2.gz WNZWIPOUYQPVAA-LBPRGKRZSA-N 2 0 266.389 0.934 10 0 CCAERP CCC[C@@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000184077897 351401716 /nfs/dbraw/zinc/40/17/16/351401716.db2.gz PRSBHUGDQQAHDD-CABCVRRESA-N 2 0 298.475 0.859 10 0 CCAERP [NH3+]CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189000743 351645695 /nfs/dbraw/zinc/64/56/95/351645695.db2.gz AMPXIOCZHSKEEI-CABZTGNLSA-N 2 0 269.295 0.485 10 0 CCAERP CN1CCO[C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000247061626 352396696 /nfs/dbraw/zinc/39/66/96/352396696.db2.gz OCGWSRPBZRTPFU-MELADBBJSA-N 2 0 298.431 0.489 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250211155 352503589 /nfs/dbraw/zinc/50/35/89/352503589.db2.gz CPRXTYZRPPWGKS-OLZOCXBDSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000251819471 352511499 /nfs/dbraw/zinc/51/14/99/352511499.db2.gz OWVCZPJWSLVTMW-STQMWFEESA-N 2 0 281.400 0.450 10 0 CCAERP C[NH+](C)CC(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328654386 354245967 /nfs/dbraw/zinc/24/59/67/354245967.db2.gz XIWMMPYFDBJDSF-ZDUSSCGKSA-N 2 0 269.389 0.117 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000335184706 354981247 /nfs/dbraw/zinc/98/12/47/354981247.db2.gz PAJLDPNAOGYZFI-GFCCVEGCSA-N 2 0 266.389 0.618 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000336811819 355185812 /nfs/dbraw/zinc/18/58/12/355185812.db2.gz OPUWDWQQSVHQNH-BPLDGKMQSA-N 2 0 267.417 0.610 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH+]1 ZINC000333923597 283276723 /nfs/dbraw/zinc/27/67/23/283276723.db2.gz SITJFSBXULRVRP-QWRGUYRKSA-N 2 0 285.355 0.263 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH+]1 ZINC000333923595 283276915 /nfs/dbraw/zinc/27/69/15/283276915.db2.gz SITJFSBXULRVRP-GHMZBOCLSA-N 2 0 285.355 0.263 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc2nnccc2c1 ZINC000616635388 365395396 /nfs/dbraw/zinc/39/53/96/365395396.db2.gz FZENWYRWMGVDOG-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP CC(C)(C)OC(=O)NCC[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000616636150 365395606 /nfs/dbraw/zinc/39/56/06/365395606.db2.gz LBYCEJVRZOGTJU-NSHDSACASA-N 2 0 272.393 0.134 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766680 372213815 /nfs/dbraw/zinc/21/38/15/372213815.db2.gz QSQROAZYGWRPRN-IPYPFGDCSA-N 2 0 265.401 0.834 10 0 CCAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766681 372214220 /nfs/dbraw/zinc/21/42/20/372214220.db2.gz QSQROAZYGWRPRN-YDHLFZDLSA-N 2 0 265.401 0.834 10 0 CCAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH3+] ZINC000638331274 374932182 /nfs/dbraw/zinc/93/21/82/374932182.db2.gz JLZNZYYYEYMGEB-VXGBXAGGSA-N 2 0 251.374 0.668 10 0 CCAERP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000247080810 285042581 /nfs/dbraw/zinc/04/25/81/285042581.db2.gz OWJJQEPWRUQMSI-QLFBSQMISA-N 3 0 269.433 0.906 10 0 CCAERP CSC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249137557 285103954 /nfs/dbraw/zinc/10/39/54/285103954.db2.gz ICDWFCMBJMJLED-GXTWGEPZSA-N 2 0 290.473 0.735 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089459168 285268043 /nfs/dbraw/zinc/26/80/43/285268043.db2.gz DPVLBWQAXFMRDX-FRRDWIJNSA-N 2 0 253.390 0.962 10 0 CCAERP Cc1cc2n(n1)C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CN2 ZINC000069327517 388950275 /nfs/dbraw/zinc/95/02/75/388950275.db2.gz VLOVPPYMCJRVGY-KGLIPLIRSA-N 2 0 293.415 0.280 10 0 CCAERP CC(C)NC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862568 389089137 /nfs/dbraw/zinc/08/91/37/389089137.db2.gz FUZQBSHLVKSESI-AWEZNQCLSA-N 2 0 299.459 0.926 10 0 CCAERP COC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000126665432 389170896 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AQWZFPFEMBYMNW-TZMCWYRMSA-N 2 0 269.389 0.213 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000040636531 397392924 /nfs/dbraw/zinc/39/29/24/397392924.db2.gz PJILECYFKVBPST-BFHYXJOUSA-N 2 0 281.400 0.450 10 0 CCAERP CC(C)(C(=O)NC1CCC([NH3+])CC1)N1CC[NH2+]CC1 ZINC000131276169 411723561 /nfs/dbraw/zinc/72/35/61/411723561.db2.gz KUTOTYDBAPRDPW-UHFFFAOYSA-N 2 0 268.405 0.056 10 0 CCAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CCO)CC2)cc1 ZINC000020225539 171087920 /nfs/dbraw/zinc/08/79/20/171087920.db2.gz JNWWADRYEDUBNK-HNNXBMFYSA-N 2 0 263.385 0.605 10 0 CCAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CCO)CC2)cc1 ZINC000020225538 171088064 /nfs/dbraw/zinc/08/80/64/171088064.db2.gz JNWWADRYEDUBNK-OAHLLOKOSA-N 2 0 263.385 0.605 10 0 CCAERP C[NH+](C)CCNC(=O)COc1ccc(C[NH3+])cc1 ZINC000021956659 171341273 /nfs/dbraw/zinc/34/12/73/171341273.db2.gz AQTJAENSYMZHJA-UHFFFAOYSA-N 2 0 251.330 0.202 10 0 CCAERP C[NH+](C)CCCNC(=O)COc1ccc(C[NH3+])cc1 ZINC000022171736 171368206 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LJIDHPYUZIYNRB-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP C[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000234229483 544867577 /nfs/dbraw/zinc/86/75/77/544867577.db2.gz DERGZIFLEURHJQ-NEPJUHHUSA-N 2 0 257.378 0.056 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000311135159 545012254 /nfs/dbraw/zinc/01/22/54/545012254.db2.gz KGFYVJAGTTVYBE-HZSPNIEDSA-N 2 0 257.422 0.569 10 0 CCAERP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C1 ZINC000096957879 277189005 /nfs/dbraw/zinc/18/90/05/277189005.db2.gz XFYAVPDNNNKVPI-WDEREUQCSA-N 2 0 255.362 0.886 10 0 CCAERP CC1(C)CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000333752653 278306965 /nfs/dbraw/zinc/30/69/65/278306965.db2.gz ZHIHRDBDADPZMQ-NSHDSACASA-N 2 0 254.378 0.522 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cncn2C)CC1 ZINC000177055368 278395720 /nfs/dbraw/zinc/39/57/20/278395720.db2.gz WJRPKELKUFIZLW-CYBMUJFWSA-N 2 0 280.416 0.945 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000335285717 279293806 /nfs/dbraw/zinc/29/38/06/279293806.db2.gz RTXIUCTZSKTIBZ-NWDGAFQWSA-N 2 0 254.378 0.474 10 0 CCAERP CC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106386569 280200551 /nfs/dbraw/zinc/20/05/51/280200551.db2.gz WOLKHJGOWSGCSY-TZMCWYRMSA-N 2 0 258.406 0.782 10 0 CCAERP C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C1CC[NH+](C)CC1 ZINC000392882549 545087609 /nfs/dbraw/zinc/08/76/09/545087609.db2.gz JFWOJCSGBDIGNB-GVXVVHGQSA-N 2 0 253.390 0.973 10 0 CCAERP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCCC[NH2+]1 ZINC000394377361 545088023 /nfs/dbraw/zinc/08/80/23/545088023.db2.gz CPFQCGXDMICVHF-DZGCQCFKSA-N 2 0 280.416 0.025 10 0 CCAERP [NH3+]CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189000790 303367288 /nfs/dbraw/zinc/36/72/88/303367288.db2.gz AMPXIOCZHSKEEI-JOYOIKCWSA-N 2 0 269.295 0.485 10 0 CCAERP CC(C)(C)OC(=O)N1CCC[C@@](C[NH3+])(C[C@@H](O)C[NH3+])C1 ZINC000536955288 330383026 /nfs/dbraw/zinc/38/30/26/330383026.db2.gz OPNKQJTYMKASIE-RISCZKNCSA-N 2 0 287.404 0.672 10 0 CCAERP CCOCCOC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557135 519999277 /nfs/dbraw/zinc/99/92/77/519999277.db2.gz SQSKLSCJRUOEKP-QWHCGFSZSA-N 2 0 262.394 0.330 10 0 CCAERP C[NH+](C)CCN1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000061652496 521765866 /nfs/dbraw/zinc/76/58/66/521765866.db2.gz AXENWXAUIFZBSG-UHFFFAOYSA-N 2 0 268.449 0.827 10 0 CCAERP C(C[NH2+]CCC[NH+]1CCCC1)CN1CCOCC1 ZINC000049332410 518391258 /nfs/dbraw/zinc/39/12/58/518391258.db2.gz SYTQHBXEWRXURH-UHFFFAOYSA-N 2 0 255.406 0.784 10 0 CCAERP CC(C)[NH2+]CCS(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061653256 519722350 /nfs/dbraw/zinc/72/23/50/519722350.db2.gz SZXWEPLDTLQVMF-LBPRGKRZSA-N 2 0 277.434 0.340 10 0 CCAERP CC(C)C[NH2+]C[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000053012447 519744964 /nfs/dbraw/zinc/74/49/64/519744964.db2.gz MXGJVIPEIRWTRA-HNNXBMFYSA-N 2 0 269.433 0.886 10 0 CCAERP CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)CCCC[NH3+] ZINC000049204906 519814770 /nfs/dbraw/zinc/81/47/70/519814770.db2.gz MHXMDXUAXPFSDP-NSHDSACASA-N 2 0 265.423 0.231 10 0 CCAERP CC[NH+](CC)CCNS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049641500 520687499 /nfs/dbraw/zinc/68/74/99/520687499.db2.gz DUFWIEMPOWOOMK-GFCCVEGCSA-N 2 0 277.434 0.247 10 0 CCAERP CCOC(=O)C[C@@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061645452 520824577 /nfs/dbraw/zinc/82/45/77/520824577.db2.gz CXZWDBNSTDBDPL-CYBMUJFWSA-N 2 0 271.405 0.507 10 0 CCAERP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000163888560 521556102 /nfs/dbraw/zinc/55/61/02/521556102.db2.gz FLZLYKHBKZOIBK-NSHDSACASA-N 2 0 253.390 0.785 10 0 CCAERP C[NH+](C)CCN1CCN(C(=[NH2+])NC2CCCC2)CC1 ZINC000061652363 521760453 /nfs/dbraw/zinc/76/04/53/521760453.db2.gz SMXIJUUJJTWGFF-UHFFFAOYSA-N 2 0 267.421 0.633 10 0 CCAERP CC[C@H](C)[NH2+]C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655320 524004005 /nfs/dbraw/zinc/00/40/05/524004005.db2.gz UXVWASHABJICBI-LSDHHAIUSA-N 2 0 270.465 0.942 10 0 CCAERP CCCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CC[NH2+]C1 ZINC000261729180 535231860 /nfs/dbraw/zinc/23/18/60/535231860.db2.gz JVPCXRHCSMRWDI-TUAOUCFPSA-N 2 0 255.362 0.093 10 0 CCAERP CC[NH+]1CCN(CC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261919670 535652219 /nfs/dbraw/zinc/65/22/19/535652219.db2.gz UVOPGDWFDDJVPT-CYBMUJFWSA-N 2 0 282.432 0.210 10 0 CCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000262372544 536110495 /nfs/dbraw/zinc/11/04/95/536110495.db2.gz WGRNVZCXLDUNOR-OLZOCXBDSA-N 2 0 293.415 0.180 10 0 CCAERP OCC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000399016280 581207041 /nfs/dbraw/zinc/20/70/41/581207041.db2.gz DHLHUUZNZZXSCJ-GJZGRUSLSA-N 2 0 267.417 0.660 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455249 637026760 /nfs/dbraw/zinc/02/67/60/637026760.db2.gz CKSYNRSNVGOOPF-TUAOUCFPSA-N 2 0 255.362 0.045 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092957604 349515473 /nfs/dbraw/zinc/51/54/73/349515473.db2.gz MHXNRLRSBODUSD-JHJVBQTASA-N 2 0 253.390 0.927 10 0 CCAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000093332581 349538426 /nfs/dbraw/zinc/53/84/26/349538426.db2.gz XQTYRYJTKCXCDW-TZMCWYRMSA-N 2 0 283.416 0.290 10 0 CCAERP C[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000601325842 362222746 /nfs/dbraw/zinc/22/27/46/362222746.db2.gz GCFXVLROLHRBDD-ZJUUUORDSA-N 2 0 270.377 0.137 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647345 136809877 /nfs/dbraw/zinc/80/98/77/136809877.db2.gz HDGYYBWRFGEPCP-FRRDWIJNSA-N 2 0 253.390 0.833 10 0 CCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261655719 137014551 /nfs/dbraw/zinc/01/45/51/137014551.db2.gz FLIGHWADESQALA-UTUOFQBUSA-N 2 0 257.378 0.339 10 0 CCAERP C[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)C1C[NH2+]C1 ZINC000262469186 137044220 /nfs/dbraw/zinc/04/42/20/137044220.db2.gz YDSSFXSUSZAFHJ-GXFFZTMASA-N 2 0 271.430 0.395 10 0 CCAERP O=C(C[NH2+]CC1CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000262639710 137048673 /nfs/dbraw/zinc/04/86/73/137048673.db2.gz JRCDLUALWVKAHV-OAHLLOKOSA-N 2 0 295.427 0.557 10 0 CCAERP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)C1 ZINC000261633289 290832015 /nfs/dbraw/zinc/83/20/15/290832015.db2.gz BGECYQOVSVPQEY-GXTWGEPZSA-N 2 0 269.389 0.213 10 0 CCAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000263249350 137061867 /nfs/dbraw/zinc/06/18/67/137061867.db2.gz PQMCJDISXBNZPW-ZFWWWQNUSA-N 2 0 272.352 0.542 10 0 CCAERP CC[NH+]1CCN([C@@H](C[NH3+])c2c(C)nn(C)c2C)CC1 ZINC000053994323 348538129 /nfs/dbraw/zinc/53/81/29/348538129.db2.gz WOVUKFFPRQNRPE-ZDUSSCGKSA-N 2 0 265.405 0.674 10 0 CCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000070941853 348900282 /nfs/dbraw/zinc/90/02/82/348900282.db2.gz IUGVJDMNTTXCGQ-HNNXBMFYSA-N 2 0 299.459 0.484 10 0 CCAERP CC[NH+](CC)CC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127321038 350166625 /nfs/dbraw/zinc/16/66/25/350166625.db2.gz GKVNBAJPNRGBEU-ZDUSSCGKSA-N 2 0 269.389 0.308 10 0 CCAERP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127320754 350166833 /nfs/dbraw/zinc/16/68/33/350166833.db2.gz GKVNBAJPNRGBEU-CYBMUJFWSA-N 2 0 269.389 0.308 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129588812 350218051 /nfs/dbraw/zinc/21/80/51/350218051.db2.gz NZVCJGFIRNCBTP-ZDUSSCGKSA-N 2 0 282.432 0.271 10 0 CCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129616014 350218868 /nfs/dbraw/zinc/21/88/68/350218868.db2.gz CVAPVJBIMFCUDB-AWEZNQCLSA-N 2 0 298.475 0.763 10 0 CCAERP CCCN(CC[NH+](C)C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129721777 350221334 /nfs/dbraw/zinc/22/13/34/350221334.db2.gz AQPFLZQPZYLCSZ-UHFFFAOYSA-N 2 0 284.448 0.470 10 0 CCAERP CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129744842 350222146 /nfs/dbraw/zinc/22/21/46/350222146.db2.gz JPLZVTPUGYAKNY-UHFFFAOYSA-N 2 0 296.459 0.470 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747851 351244747 /nfs/dbraw/zinc/24/47/47/351244747.db2.gz CIQPJKUDVRXGLZ-LBPRGKRZSA-N 2 0 251.374 0.825 10 0 CCAERP C[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000178889146 351251252 /nfs/dbraw/zinc/25/12/52/351251252.db2.gz WONGHZNDAWKRNB-JSGCOSHPSA-N 2 0 276.384 0.628 10 0 CCAERP CC[NH+](CC)CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000181371799 351315146 /nfs/dbraw/zinc/31/51/46/351315146.db2.gz GVXJJLSBJIVTJW-OAHLLOKOSA-N 2 0 296.459 0.567 10 0 CCAERP COC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250362858 352504236 /nfs/dbraw/zinc/50/42/36/352504236.db2.gz GMERJPDFDDNVQZ-CHWSQXEVSA-N 2 0 297.399 0.130 10 0 CCAERP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333733632 354784954 /nfs/dbraw/zinc/78/49/54/354784954.db2.gz WNRKPOVCJKKSHD-WCQYABFASA-N 2 0 268.405 0.897 10 0 CCAERP COCC[NH+]1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333914330 354815365 /nfs/dbraw/zinc/81/53/65/354815365.db2.gz FYGKPGDGWCJYAS-AWEZNQCLSA-N 2 0 298.431 0.539 10 0 CCAERP C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[N@@H+]1CCC[C@H](C)C1 ZINC000333948738 354819227 /nfs/dbraw/zinc/81/92/27/354819227.db2.gz WPIQAUGDOSWJCW-XUXIUFHCSA-N 2 0 298.431 0.081 10 0 CCAERP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335037018 354943882 /nfs/dbraw/zinc/94/38/82/354943882.db2.gz ZMLVXCUGBUMZNL-UONOGXRCSA-N 2 0 265.401 0.927 10 0 CCAERP COCC[NH+]1CCC(CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000302031530 201309275 /nfs/dbraw/zinc/30/92/75/201309275.db2.gz NIZJZAZCPUNYGB-UHFFFAOYSA-N 2 0 292.383 0.951 10 0 CCAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766861 372214673 /nfs/dbraw/zinc/21/46/73/372214673.db2.gz YNAHUXVDGQXBEE-ZOWXZIJZSA-N 2 0 263.385 0.729 10 0 CCAERP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767646 372215695 /nfs/dbraw/zinc/21/56/95/372215695.db2.gz FRRCRYDSENVYLQ-GUTXKFCHSA-N 2 0 263.385 0.683 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333493204 205373328 /nfs/dbraw/zinc/37/33/28/205373328.db2.gz DMZHDLWUIDHBMZ-WJTVCTBASA-N 2 0 266.389 0.506 10 0 CCAERP CC1(C)CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[C@H]1[NH3+] ZINC000334262120 206272857 /nfs/dbraw/zinc/27/28/57/206272857.db2.gz YYSLPDUAHZIWCP-GHMZBOCLSA-N 2 0 271.430 0.667 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261807620 295272015 /nfs/dbraw/zinc/27/20/15/295272015.db2.gz NBTOJECEGXPZPJ-BJJPWKGXSA-N 2 0 265.401 0.947 10 0 CCAERP C[C@H]1CN(CCN2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000192979451 389058733 /nfs/dbraw/zinc/05/87/33/389058733.db2.gz LXCSKUNCHUSAKG-UONOGXRCSA-N 2 0 253.390 0.487 10 0 CCAERP COC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309682865 389093856 /nfs/dbraw/zinc/09/38/56/389093856.db2.gz BFOFOLXIYWKTFJ-HUUCEWRRSA-N 2 0 291.395 0.598 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000246522075 389229498 /nfs/dbraw/zinc/22/94/98/389229498.db2.gz RGUDFTLXOPHCRQ-NWDGAFQWSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000333425411 389412483 /nfs/dbraw/zinc/41/24/83/389412483.db2.gz TWMWBZDLSSQRAZ-VCDKRKBESA-N 2 0 266.389 0.458 10 0 CCAERP C[C@@H]1C[N@H+](CCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000162200186 389415651 /nfs/dbraw/zinc/41/56/51/389415651.db2.gz QKKLUARIUKACSK-KGLIPLIRSA-N 2 0 264.373 0.536 10 0 CCAERP C[C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000333569644 389427490 /nfs/dbraw/zinc/42/74/90/389427490.db2.gz MFYDHNGXPCGQHJ-MDZLAQPJSA-N 2 0 291.399 0.306 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000335154022 389539094 /nfs/dbraw/zinc/53/90/94/389539094.db2.gz WMTRICXIEFBCJS-NSHDSACASA-N 2 0 266.389 0.617 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)CC[C@H]21 ZINC000643793061 390552978 /nfs/dbraw/zinc/55/29/78/390552978.db2.gz MJIRXWNUTYQEEL-MGPQQGTHSA-N 2 0 281.400 0.165 10 0 CCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649293787 390554564 /nfs/dbraw/zinc/55/45/64/390554564.db2.gz ISNSPBUONSHPCD-QWHCGFSZSA-N 2 0 269.389 0.213 10 0 CCAERP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000649295894 390557017 /nfs/dbraw/zinc/55/70/17/390557017.db2.gz DRQBKZBYBKUCPU-ZDUSSCGKSA-N 2 0 277.368 0.923 10 0 CCAERP COC[C@]1(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000649299065 390558653 /nfs/dbraw/zinc/55/86/53/390558653.db2.gz WTVRGBVAFFVIJB-ZFWWWQNUSA-N 2 0 283.416 0.555 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000649303326 390562917 /nfs/dbraw/zinc/56/29/17/390562917.db2.gz SZJPTRSSMHNHDS-UONOGXRCSA-N 2 0 283.416 0.461 10 0 CCAERP CCC[N@H+](CC)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649343952 390597473 /nfs/dbraw/zinc/59/74/73/390597473.db2.gz HWHLLEVWVMKKEX-LBPRGKRZSA-N 2 0 257.378 0.071 10 0 CCAERP COC[C@]1(C(=O)N(C)CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000649374126 390609771 /nfs/dbraw/zinc/60/97/71/390609771.db2.gz YPBMAXBEQUJDOF-HNNXBMFYSA-N 2 0 283.416 0.555 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000258328318 397440546 /nfs/dbraw/zinc/44/05/46/397440546.db2.gz DNCCWCYHWFRURD-NWDGAFQWSA-N 2 0 254.378 0.522 10 0 CCAERP COCCN(C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000386231794 397500901 /nfs/dbraw/zinc/50/09/01/397500901.db2.gz PZCVJCBHJYWHBU-YNEHKIRRSA-N 2 0 260.378 0.083 10 0 CCAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000335705794 289318588 /nfs/dbraw/zinc/31/85/88/289318588.db2.gz OCJXPPUFSBOAQO-CHWSQXEVSA-N 2 0 268.405 0.816 10 0 CCAERP COCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188754927 292350068 /nfs/dbraw/zinc/35/00/68/292350068.db2.gz JHIZCJKUZMDGAM-WCQYABFASA-N 2 0 287.379 0.304 10 0 CCAERP Cn1cc([C@@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)cn1 ZINC000311639947 411749839 /nfs/dbraw/zinc/74/98/39/411749839.db2.gz KTQSDVJSPPSBJT-AWEZNQCLSA-N 2 0 263.389 0.462 10 0 CCAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC000020303224 171140141 /nfs/dbraw/zinc/14/01/41/171140141.db2.gz PSTRSOWMSLSDNM-NEPJUHHUSA-N 2 0 286.420 0.931 10 0 CCAERP CNC(=O)NC(=O)[C@H](C)[N@H+](CCC[NH3+])C1CCCC1 ZINC000037299700 173105216 /nfs/dbraw/zinc/10/52/16/173105216.db2.gz RVDPBWHUJCZVEU-JTQLQIEISA-N 2 0 270.377 0.424 10 0 CCAERP COCCN(CCC[NH+](C)C)C(=O)CC[NH2+]C(C)C ZINC000037826819 173784338 /nfs/dbraw/zinc/78/43/38/173784338.db2.gz RONAYGLWHJWVCQ-UHFFFAOYSA-N 2 0 273.421 0.801 10 0 CCAERP COC(=O)C1(NCC[NH+](C)C)CC[NH+](C(C)C)CC1 ZINC000037964677 173909142 /nfs/dbraw/zinc/90/91/42/173909142.db2.gz BPASPHLFGQWVEO-UHFFFAOYSA-N 2 0 271.405 0.554 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264146 414702607 /nfs/dbraw/zinc/70/26/07/414702607.db2.gz RLQZXRCZYZTPQP-UONOGXRCSA-N 2 0 267.417 0.924 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662852419 414842418 /nfs/dbraw/zinc/84/24/18/414842418.db2.gz KENNLPPWQYOYOW-NWDGAFQWSA-N 2 0 269.389 0.211 10 0 CCAERP COC[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000662873580 414858753 /nfs/dbraw/zinc/85/87/53/414858753.db2.gz ZWMQAAOUNYQOEY-VYHDIPPYSA-N 2 0 281.400 0.496 10 0 CCAERP CC[NH2+][C@@H](C)CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257989 545880693 /nfs/dbraw/zinc/88/06/93/545880693.db2.gz CAHQGKZFCIHFKD-VIFPVBQESA-N 2 0 251.334 0.354 10 0 CCAERP [NH3+][C@H](CNc1ccnn1C1C[NH2+]C1)CC(F)(F)F ZINC000725258464 545882481 /nfs/dbraw/zinc/88/24/81/545882481.db2.gz PWNFSFDARDEAMN-ZETCQYMHSA-N 2 0 263.267 0.719 10 0 CCAERP C[NH+](C)[C@@H]1CCCN([C@@H]2C[C@@H]([NH3+])C23CCOCC3)C1 ZINC000725264576 545884371 /nfs/dbraw/zinc/88/43/71/545884371.db2.gz XFKZJJBPEHFCSC-MGPQQGTHSA-N 2 0 267.417 0.909 10 0 CCAERP [NH3+][C@H]1CC12CCC([NH+]1CCN(CCO)CC1)CC2 ZINC000725270983 545887590 /nfs/dbraw/zinc/88/75/90/545887590.db2.gz UYLVBKODYRQPSS-MOKVOYLWSA-N 2 0 253.390 0.256 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1(C)C[NH2+]C1 ZINC000098061771 544555897 /nfs/dbraw/zinc/55/58/97/544555897.db2.gz FKEYTZJJXPOGBN-NWDGAFQWSA-N 2 0 267.373 0.060 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000136364253 544638520 /nfs/dbraw/zinc/63/85/20/544638520.db2.gz IPFWZTKWKRDOLD-YPMHNXCESA-N 2 0 253.390 0.960 10 0 CCAERP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000332894620 545036103 /nfs/dbraw/zinc/03/61/03/545036103.db2.gz IJFYXAAOHDFBON-IUODEOHRSA-N 2 0 295.427 0.887 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000162040005 277061295 /nfs/dbraw/zinc/06/12/95/277061295.db2.gz OYPRYFJTDWXIFC-CABCVRRESA-N 2 0 267.417 0.877 10 0 CCAERP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367688335 277260967 /nfs/dbraw/zinc/26/09/67/277260967.db2.gz MXBQUJQVSWABBR-OLZOCXBDSA-N 2 0 269.389 0.437 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261913806 278511666 /nfs/dbraw/zinc/51/16/66/278511666.db2.gz XXMGHCZPOQDNOQ-UMSGYPCISA-N 2 0 253.390 0.960 10 0 CCAERP CC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000173682100 280200576 /nfs/dbraw/zinc/20/05/76/280200576.db2.gz WOLKHJGOWSGCSY-GXTWGEPZSA-N 2 0 258.406 0.782 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000333625409 290150528 /nfs/dbraw/zinc/15/05/28/290150528.db2.gz FTLNDEMBGBRDRH-VXGBXAGGSA-N 2 0 266.389 0.603 10 0 CCAERP CC[N@H+](C)C[C@H](O)CN(C)C[C@@H]1CCC[NH+]1CC ZINC000386178544 545085805 /nfs/dbraw/zinc/08/58/05/545085805.db2.gz TZEWFYZDFNVLDC-KBPBESRZSA-N 2 0 257.422 0.715 10 0 CCAERP CC[N@H+](C)C[C@H](O)CN(C)C[C@H]1CCC[NH+]1CC ZINC000386178545 545085987 /nfs/dbraw/zinc/08/59/87/545085987.db2.gz TZEWFYZDFNVLDC-KGLIPLIRSA-N 2 0 257.422 0.715 10 0 CCAERP C[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCC[NH2+]1 ZINC000334590161 297865069 /nfs/dbraw/zinc/86/50/69/297865069.db2.gz NCEDGBALGSKFPY-KBPBESRZSA-N 2 0 251.374 0.731 10 0 CCAERP CCC[NH2+][C@H](C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061644039 520061251 /nfs/dbraw/zinc/06/12/51/520061251.db2.gz PVNXRGNDWZVYPH-CQSZACIVSA-N 2 0 256.438 0.554 10 0 CCAERP CC(C)C[NH+]1CCN(CCC[C@](C)([NH3+])C(N)=O)CC1 ZINC000055081155 519726143 /nfs/dbraw/zinc/72/61/43/519726143.db2.gz YIMUQNISPBFNNX-AWEZNQCLSA-N 2 0 270.421 0.243 10 0 CCAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)Cn1ccnc1 ZINC000049235178 520737382 /nfs/dbraw/zinc/73/73/82/520737382.db2.gz DKAMZQRLXAZFJE-CHWSQXEVSA-N 2 0 254.378 0.564 10 0 CCAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](O)(C(N)=O)C1 ZINC000311850550 536354033 /nfs/dbraw/zinc/35/40/33/536354033.db2.gz OOBYGLOJVPDVNF-TZMCWYRMSA-N 2 0 269.389 0.173 10 0 CCAERP C[NH+](C)CCN1CCN([C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000061642703 521766992 /nfs/dbraw/zinc/76/69/92/521766992.db2.gz MUKAUTPRHWZBRY-LLVKDONJSA-N 2 0 282.354 0.445 10 0 CCAERP CN(CCc1ccncc1)C1(C[NH3+])CC[NH+](C)CC1 ZINC000048259694 522976660 /nfs/dbraw/zinc/97/66/60/522976660.db2.gz VXDLPBSIAUEPHR-UHFFFAOYSA-N 2 0 262.401 0.979 10 0 CCAERP CCn1cc(CN2CCC[N@H+](CCC[NH3+])CC2)cn1 ZINC000050539182 523370683 /nfs/dbraw/zinc/37/06/83/523370683.db2.gz XDIADVFIBGWBQK-UHFFFAOYSA-N 2 0 265.405 0.760 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000061401496 523598305 /nfs/dbraw/zinc/59/83/05/523598305.db2.gz NTTOYNIYYRUKFN-QWHCGFSZSA-N 2 0 271.405 0.446 10 0 CCAERP CC[C@H](C)[NH+]1CCN(CCn2cc(C[NH3+])nn2)CC1 ZINC000055074220 523953847 /nfs/dbraw/zinc/95/38/47/523953847.db2.gz YBMICIBQOVLXAH-LBPRGKRZSA-N 2 0 266.393 0.153 10 0 CCAERP C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C[NH2+]1 ZINC000049575586 524333551 /nfs/dbraw/zinc/33/35/51/524333551.db2.gz IDQRSVXVTXMCPL-QWHCGFSZSA-N 2 0 253.390 0.977 10 0 CCAERP C[C@H]1C[C@H](C(=O)NC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055126698 524867328 /nfs/dbraw/zinc/86/73/28/524867328.db2.gz MVOGNSCHTNOFNL-LOWVWBTDSA-N 2 0 253.390 0.960 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)O1 ZINC000261801241 527238952 /nfs/dbraw/zinc/23/89/52/527238952.db2.gz OEPQQXBJYSXWLC-ZNMIVQPWSA-N 2 0 295.427 0.873 10 0 CCAERP [NH3+]Cc1ccc(Cl)cc1N1CC[NH+](CCO)CC1 ZINC000062786827 527253528 /nfs/dbraw/zinc/25/35/28/527253528.db2.gz IQVLCAAICBTPCC-UHFFFAOYSA-N 2 0 269.776 0.913 10 0 CCAERP [NH3+][C@@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)[O-] ZINC000062533823 527331534 /nfs/dbraw/zinc/33/15/34/527331534.db2.gz RKBCGBCIBLWGRE-ZDUSSCGKSA-N 2 0 269.389 0.596 10 0 CCAERP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263226207 536527745 /nfs/dbraw/zinc/52/77/45/536527745.db2.gz MUNULNXVCMJPIO-IACUBPJLSA-N 2 0 294.395 0.805 10 0 CCAERP CC(C)[C@H]([NH3+])C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000236766249 535056777 /nfs/dbraw/zinc/05/67/77/535056777.db2.gz RHKROMMMYOTJKD-AWEZNQCLSA-N 2 0 294.399 0.622 10 0 CCAERP CCC(CC)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCCC1 ZINC000262424894 535144564 /nfs/dbraw/zinc/14/45/64/535144564.db2.gz RADLMWUITLMJAJ-KFWWJZLASA-N 2 0 297.443 0.726 10 0 CCAERP C[NH+]1C[C@H]2CN(c3cc4c(nn3)CC[NH2+]C4)C[C@@H]2C1 ZINC000675061046 545320852 /nfs/dbraw/zinc/32/08/52/545320852.db2.gz WYIISMMUPZQSAT-RYUDHWBXSA-N 2 0 259.357 0.120 10 0 CCAERP CC[NH+]1CCN(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261911932 535679926 /nfs/dbraw/zinc/67/99/26/535679926.db2.gz TVHUAYCVLRFBIQ-CQSZACIVSA-N 2 0 296.459 0.600 10 0 CCAERP COC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262277717 536666116 /nfs/dbraw/zinc/66/61/16/536666116.db2.gz LHKBLRVJVGTEBW-CHWSQXEVSA-N 2 0 269.389 0.341 10 0 CCAERP O[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000310559529 623348963 /nfs/dbraw/zinc/34/89/63/623348963.db2.gz RFTUQQDYDGPQDI-ZIAGYGMSSA-N 2 0 253.390 0.223 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251638488 649813956 /nfs/dbraw/zinc/81/39/56/649813956.db2.gz FTYIJNCHQKDSJC-AGIUHOORSA-N 2 0 287.429 0.237 10 0 CCAERP CS[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1[NH+](C)C ZINC000262565913 295670029 /nfs/dbraw/zinc/67/00/29/295670029.db2.gz LFTIOAUNFWKXDB-RYUDHWBXSA-N 2 0 271.430 0.490 10 0 CCAERP C[C@H]1CN(CC(=O)NC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000601326121 362221982 /nfs/dbraw/zinc/22/19/82/362221982.db2.gz KDYAWGFAIBCDHR-WDEREUQCSA-N 2 0 282.388 0.281 10 0 CCAERP O=C(COC1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000113705052 349818554 /nfs/dbraw/zinc/81/85/54/349818554.db2.gz XAKTUZUUDBUIPT-ZDUSSCGKSA-N 2 0 281.400 0.452 10 0 CCAERP O=C([C@@H]1CCC[NH2+]C1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186489863 136911883 /nfs/dbraw/zinc/91/18/83/136911883.db2.gz NFWCNVOPFWLARY-NEPJUHHUSA-N 2 0 251.374 0.729 10 0 CCAERP CC[N@H+](CCNC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000252442087 137003204 /nfs/dbraw/zinc/00/32/04/137003204.db2.gz GGZLWAIMTJQABL-AWEZNQCLSA-N 2 0 280.416 0.960 10 0 CCAERP CC[N@H+](C)Cc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263341432 137064180 /nfs/dbraw/zinc/06/41/80/137064180.db2.gz XQQFXKQNVQYIFL-UHFFFAOYSA-N 2 0 261.369 0.974 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054309013 348549795 /nfs/dbraw/zinc/54/97/95/348549795.db2.gz HFTSXYXDUAXLAB-NWDGAFQWSA-N 2 0 251.374 0.729 10 0 CCAERP CN(C(=O)C(C)(C)N1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000129583413 350217871 /nfs/dbraw/zinc/21/78/71/350217871.db2.gz NHBQKKULGVBUKM-UHFFFAOYSA-N 2 0 282.432 0.223 10 0 CCAERP C[C@H](CC[NH+](C)C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131263889 350270267 /nfs/dbraw/zinc/27/02/67/350270267.db2.gz NEGBEILXQLUBRJ-GFCCVEGCSA-N 2 0 270.421 0.127 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000170827842 350865928 /nfs/dbraw/zinc/86/59/28/350865928.db2.gz ZUFLCSXXOGNVHH-AWEZNQCLSA-N 2 0 280.416 0.959 10 0 CCAERP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174903752 351110202 /nfs/dbraw/zinc/11/02/02/351110202.db2.gz NXCKILWJQAKNQI-KBPBESRZSA-N 2 0 282.432 0.352 10 0 CCAERP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237296830 352258710 /nfs/dbraw/zinc/25/87/10/352258710.db2.gz KRKRRKUIZRMMSU-KBPBESRZSA-N 2 0 283.416 0.413 10 0 CCAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)CCO1 ZINC000246294773 352360008 /nfs/dbraw/zinc/36/00/08/352360008.db2.gz NOARNQOZQOVVRA-MGPQQGTHSA-N 2 0 295.427 0.826 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CSCC[NH2+]3)C[C@H]12 ZINC000248638990 352449759 /nfs/dbraw/zinc/44/97/59/352449759.db2.gz QXDLYECIZLSDCA-WISYIIOYSA-N 2 0 269.414 0.277 10 0 CCAERP C[NH+](C)[C@@H]1CN(C2CC[NH+](C)CC2)CC[C@@H]1CO ZINC000257179565 352547869 /nfs/dbraw/zinc/54/78/69/352547869.db2.gz IZPQSASLKUUESZ-TZMCWYRMSA-N 2 0 255.406 0.325 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000250368563 352504497 /nfs/dbraw/zinc/50/44/97/352504497.db2.gz VGLGBLYDXFNCBR-CHWSQXEVSA-N 2 0 253.390 0.977 10 0 CCAERP O=C(C1C[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000262239601 352584621 /nfs/dbraw/zinc/58/46/21/352584621.db2.gz NUFBWPOUGOFNGZ-CYBMUJFWSA-N 2 0 251.374 0.683 10 0 CCAERP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000333626707 354765935 /nfs/dbraw/zinc/76/59/35/354765935.db2.gz FWNNEUTVIBYBKV-CQSZACIVSA-N 2 0 280.416 0.912 10 0 CCAERP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333681230 354776043 /nfs/dbraw/zinc/77/60/43/354776043.db2.gz OVXZEIKEXAAPMZ-NWDGAFQWSA-N 2 0 254.378 0.522 10 0 CCAERP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000334939648 354937998 /nfs/dbraw/zinc/93/79/98/354937998.db2.gz UKHVPLCJMHMWGJ-NEPJUHHUSA-N 2 0 252.362 0.228 10 0 CCAERP COCC[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040219 357382785 /nfs/dbraw/zinc/38/27/85/357382785.db2.gz QGKRSPNQNLECAW-AWEZNQCLSA-N 2 0 283.416 0.699 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C[NH+](C)CCOC ZINC000380790166 357706565 /nfs/dbraw/zinc/70/65/65/357706565.db2.gz IBOCGHJXEMANHJ-CABCVRRESA-N 2 0 287.448 0.342 10 0 CCAERP Cc1csc(=O)n1CC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842469 370708242 /nfs/dbraw/zinc/70/82/42/370708242.db2.gz ATQSNXITYAZSCX-ONGXEEELSA-N 2 0 255.387 0.745 10 0 CCAERP CCOC(=O)c1ccc([C@@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616635919 365394695 /nfs/dbraw/zinc/39/46/95/365394695.db2.gz NILMNDJBWWNHOH-AWEZNQCLSA-N 2 0 277.368 0.768 10 0 CCAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766672 372214401 /nfs/dbraw/zinc/21/44/01/372214401.db2.gz QGQZIPCPFLNDLD-OBJOEFQTSA-N 2 0 253.390 0.833 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634770871 372220775 /nfs/dbraw/zinc/22/07/75/372220775.db2.gz ZSFYKDFMFARWOL-SCRDCRAPSA-N 2 0 251.374 0.539 10 0 CCAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000105191966 389085405 /nfs/dbraw/zinc/08/54/05/389085405.db2.gz BVIKSNDSRQFQBS-AAEUAGOBSA-N 2 0 268.405 0.863 10 0 CCAERP CCC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000120616816 389144025 /nfs/dbraw/zinc/14/40/25/389144025.db2.gz YNQXQTMRDQFBSQ-YPMHNXCESA-N 2 0 259.394 0.146 10 0 CCAERP O=C(C[C@H]1COCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000130396387 389205082 /nfs/dbraw/zinc/20/50/82/389205082.db2.gz MTQFMNDXSMPGGD-ZDUSSCGKSA-N 2 0 281.400 0.452 10 0 CCAERP C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246824663 389232171 /nfs/dbraw/zinc/23/21/71/389232171.db2.gz WRYZKUIRQKFIEN-HOTGVXAUSA-N 2 0 278.444 0.546 10 0 CCAERP C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000151290484 389277035 /nfs/dbraw/zinc/27/70/35/389277035.db2.gz PSOATKIHGQBJTJ-OCCSQVGLSA-N 2 0 266.389 0.918 10 0 CCAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000336391069 389634750 /nfs/dbraw/zinc/63/47/50/389634750.db2.gz RPDWCGNSYPKLPG-JSGCOSHPSA-N 2 0 278.400 0.713 10 0 CCAERP CC[C@H](C(N)=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408080922 389825564 /nfs/dbraw/zinc/82/55/64/389825564.db2.gz LRVUNUAMZFPTLQ-GXTWGEPZSA-N 2 0 282.432 0.351 10 0 CCAERP [NH3+]CC1(C(=O)N=c2ccn([C@H]3CC[NH2+]C3)[nH]2)CCCC1 ZINC000547691802 390390695 /nfs/dbraw/zinc/39/06/95/390390695.db2.gz ZNEAEBQRYDYZEX-NSHDSACASA-N 2 0 277.372 0.297 10 0 CCAERP COC[C@]1(C(=O)NCCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000649281609 390548645 /nfs/dbraw/zinc/54/86/45/390548645.db2.gz WSJJGVJYOASZJW-AWEZNQCLSA-N 2 0 269.389 0.357 10 0 CCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649285929 390551005 /nfs/dbraw/zinc/55/10/05/390551005.db2.gz AZYWBGZHAGZIKL-CHWSQXEVSA-N 2 0 269.389 0.165 10 0 CCAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649304031 390563777 /nfs/dbraw/zinc/56/37/77/390563777.db2.gz ZSOMXOQUOBLHDK-TZMCWYRMSA-N 2 0 271.405 0.602 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190713564 130138692 /nfs/dbraw/zinc/13/86/92/130138692.db2.gz SAIGVRUPYKSYIL-OAHLLOKOSA-N 2 0 290.411 0.924 10 0 CCAERP CC(C)(C(=O)NCC[NH+]1CCCCC1)N1CC[NH2+]CC1 ZINC000129710336 411720801 /nfs/dbraw/zinc/72/08/01/411720801.db2.gz UANMEEIRIYXJTK-UHFFFAOYSA-N 2 0 282.432 0.272 10 0 CCAERP CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000616570138 411841175 /nfs/dbraw/zinc/84/11/75/411841175.db2.gz MAPPONXIJLKBCH-YPMHNXCESA-N 2 0 253.390 0.914 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000662911050 414886187 /nfs/dbraw/zinc/88/61/87/414886187.db2.gz QTSRXZURMTVLOG-OCCSQVGLSA-N 2 0 269.389 0.356 10 0 CCAERP C[NH+](C)[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C23CCOCC3)C1 ZINC000725264577 545884255 /nfs/dbraw/zinc/88/42/55/545884255.db2.gz XFKZJJBPEHFCSC-RDBSUJKOSA-N 2 0 267.417 0.909 10 0 CCAERP [NH3+][C@@H]1CC12CCC([NH+]1CCN(CCO)CC1)CC2 ZINC000725270984 545887956 /nfs/dbraw/zinc/88/79/56/545887956.db2.gz UYLVBKODYRQPSS-ROKHWSDSSA-N 2 0 253.390 0.256 10 0 CCAERP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000089449433 544513737 /nfs/dbraw/zinc/51/37/37/544513737.db2.gz AGXDUPRWTIDQDS-DGCLKSJQSA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000235292636 544874259 /nfs/dbraw/zinc/87/42/59/544874259.db2.gz CFQITPGNQMGOFI-NQBHXWOUSA-N 2 0 251.374 0.442 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250684256 544924106 /nfs/dbraw/zinc/92/41/06/544924106.db2.gz ZVTFSISSSKIHTN-GMXVVIOVSA-N 2 0 251.374 0.714 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H]1C ZINC000333898322 545044431 /nfs/dbraw/zinc/04/44/31/545044431.db2.gz ZLFOWHLUXYYOHX-XDQVBPFNSA-N 2 0 298.431 0.223 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334228582 545045995 /nfs/dbraw/zinc/04/59/95/545045995.db2.gz GYKMQXDBPCCFPM-GXTWGEPZSA-N 2 0 251.374 0.588 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094569943 265244585 /nfs/dbraw/zinc/24/45/85/265244585.db2.gz XLUBJRZKOMJTAP-UPJWGTAASA-N 2 0 269.389 0.339 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000261662696 274953171 /nfs/dbraw/zinc/95/31/71/274953171.db2.gz FSPXQSFWMNRITI-KFWWJZLASA-N 2 0 295.427 0.827 10 0 CCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111866928 277222793 /nfs/dbraw/zinc/22/27/93/277222793.db2.gz POSPLXCBYBZDOF-KBPBESRZSA-N 2 0 298.431 0.443 10 0 CCAERP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCCCC1 ZINC000262146358 277869594 /nfs/dbraw/zinc/86/95/94/277869594.db2.gz HMJMVYGWKAGTTF-HZSPNIEDSA-N 2 0 283.416 0.193 10 0 CCAERP [NH3+]CC1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333658155 295224467 /nfs/dbraw/zinc/22/44/67/295224467.db2.gz LBOZZDVKMPTEQM-LBPRGKRZSA-N 2 0 254.378 0.509 10 0 CCAERP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333192182 295237554 /nfs/dbraw/zinc/23/75/54/295237554.db2.gz ACQRABYPWLFPKM-QWHCGFSZSA-N 2 0 268.405 0.899 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089460973 295272323 /nfs/dbraw/zinc/27/23/23/295272323.db2.gz ZVTFSISSSKIHTN-NQBHXWOUSA-N 2 0 251.374 0.714 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000333652442 297537432 /nfs/dbraw/zinc/53/74/32/297537432.db2.gz KAIFPVFJHZQVIL-AVGNSLFASA-N 2 0 268.405 0.910 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1([NH3+])CC1 ZINC000398102434 545088885 /nfs/dbraw/zinc/08/88/85/545088885.db2.gz UDUUGLFDSPTXHM-VXGBXAGGSA-N 2 0 251.374 0.953 10 0 CCAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000388659910 545086336 /nfs/dbraw/zinc/08/63/36/545086336.db2.gz BDUJMFQRNVNPNZ-CABCVRRESA-N 2 0 269.433 0.858 10 0 CCAERP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCCC[NH2+]1 ZINC000394377363 545087972 /nfs/dbraw/zinc/08/79/72/545087972.db2.gz CPFQCGXDMICVHF-HIFRSBDPSA-N 2 0 280.416 0.025 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333738282 303837340 /nfs/dbraw/zinc/83/73/40/303837340.db2.gz XEMXCVLYQLPSFG-OCCSQVGLSA-N 2 0 266.389 0.524 10 0 CCAERP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000381166830 327134695 /nfs/dbraw/zinc/13/46/95/327134695.db2.gz URDKFGCSLDCMCK-UONOGXRCSA-N 2 0 255.406 0.469 10 0 CCAERP CC[N@H+](CCn1cc(C[NH2+]C)nn1)[C@H](C)COC ZINC000052504868 521183344 /nfs/dbraw/zinc/18/33/44/521183344.db2.gz UFTJUNNFRANUAB-LLVKDONJSA-N 2 0 255.366 0.354 10 0 CCAERP CC[C@](C)(CO)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654094 523463092 /nfs/dbraw/zinc/46/30/92/523463092.db2.gz TYNDEWKYCQQWQE-AWEZNQCLSA-N 2 0 257.422 0.574 10 0 CCAERP C[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055126713 524127279 /nfs/dbraw/zinc/12/72/79/524127279.db2.gz PEWCIPVKIAKFHO-CYZMBNFOSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000055123548 525087380 /nfs/dbraw/zinc/08/73/80/525087380.db2.gz MYJXKYRGMPPEPS-VZZFWQQMSA-N 2 0 265.401 0.960 10 0 CCAERP [NH3+]C[C@@H](C1CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978420 527201446 /nfs/dbraw/zinc/20/14/46/527201446.db2.gz KHFJTRFYZRIBFV-GJZGRUSLSA-N 2 0 267.417 0.910 10 0 CCAERP NNc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]23)c[nH+]1 ZINC000051116580 527277972 /nfs/dbraw/zinc/27/79/72/527277972.db2.gz YQLSPTWAVGYJKY-GHMZBOCLSA-N 2 0 261.329 0.334 10 0 CCAERP OC[C@H]1CCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183320 527614903 /nfs/dbraw/zinc/61/49/03/527614903.db2.gz QWWLATVHEUHXEN-CQSZACIVSA-N 2 0 268.401 0.992 10 0 CCAERP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252862368 624481776 /nfs/dbraw/zinc/48/17/76/624481776.db2.gz NXZHFCSOJWHDCP-RFQIPJPRSA-N 2 0 256.390 0.832 10 0 CCAERP COCCOCCOCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000311853687 637335799 /nfs/dbraw/zinc/33/57/99/637335799.db2.gz SXNCADBQCJWKRR-MJBXVCDLSA-N 2 0 272.389 0.335 10 0 CCAERP [NH3+]CCCCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000110371402 643922021 /nfs/dbraw/zinc/92/20/21/643922021.db2.gz ILUYLDJOZAPKRT-AWEZNQCLSA-N 2 0 255.406 0.912 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094648740 649746424 /nfs/dbraw/zinc/74/64/24/649746424.db2.gz OLQHRMIRGOADRA-DGAVXFQQSA-N 2 0 281.400 0.354 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1CC[NH2+]CC1 ZINC000094460803 349569082 /nfs/dbraw/zinc/56/90/82/349569082.db2.gz SYLQQODWZXHUHW-UONOGXRCSA-N 2 0 252.406 0.060 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111272835 349769336 /nfs/dbraw/zinc/76/93/36/349769336.db2.gz OPOKBABQUHXAML-FRRDWIJNSA-N 2 0 251.374 0.539 10 0 CCAERP CN1CCO[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000112801202 349792955 /nfs/dbraw/zinc/79/29/55/349792955.db2.gz AELBSVZXVKUYRF-GFCCVEGCSA-N 2 0 254.378 0.764 10 0 CCAERP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261752848 137018339 /nfs/dbraw/zinc/01/83/39/137018339.db2.gz MWKYUDNSBCDQAJ-JHJVBQTASA-N 2 0 269.389 0.198 10 0 CCAERP C[NH+](C)CCOc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263278636 137062408 /nfs/dbraw/zinc/06/24/08/137062408.db2.gz JEPUYXDXXSFALD-UHFFFAOYSA-N 2 0 277.368 0.463 10 0 CCAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263292593 137063173 /nfs/dbraw/zinc/06/31/73/137063173.db2.gz VUUAJKCRZHQFHV-IUODEOHRSA-N 2 0 287.367 0.246 10 0 CCAERP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1C[NH2+]C1 ZINC000263328388 137064238 /nfs/dbraw/zinc/06/42/38/137064238.db2.gz UCHWAOBDLRYKNH-UHFFFAOYSA-N 2 0 274.368 0.382 10 0 CCAERP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CC[NH+](C)C1 ZINC000310919055 137072752 /nfs/dbraw/zinc/07/27/52/137072752.db2.gz GVBIRJKJMAEACL-JSGCOSHPSA-N 2 0 255.406 0.325 10 0 CCAERP C[C@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)[C@H]1CCC[NH2+]C1 ZINC000263217854 137060272 /nfs/dbraw/zinc/06/02/72/137060272.db2.gz LFHMNXWMWUSUAQ-FRRDWIJNSA-N 2 0 293.415 0.824 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308261 348549318 /nfs/dbraw/zinc/54/93/18/348549318.db2.gz AQQRFLWTHNSYBT-AWEZNQCLSA-N 2 0 283.416 0.557 10 0 CCAERP [NH3+]CC1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000062976481 348674489 /nfs/dbraw/zinc/67/44/89/348674489.db2.gz ZSZSKPXCHWTMBI-CYBMUJFWSA-N 2 0 281.400 0.439 10 0 CCAERP CC[NH+](CC)CCNC(=O)CCOC1CC[NH2+]CC1 ZINC000104386772 185989374 /nfs/dbraw/zinc/98/93/74/185989374.db2.gz WVMNHOHHLZSKTB-UHFFFAOYSA-N 2 0 271.405 0.603 10 0 CCAERP COC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000159176211 350671876 /nfs/dbraw/zinc/67/18/76/350671876.db2.gz QSKUADGFUHCXIP-LLVKDONJSA-N 2 0 281.356 0.669 10 0 CCAERP CCC[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000162085181 350735789 /nfs/dbraw/zinc/73/57/89/350735789.db2.gz LKWHGFLNFOFMMO-HNNXBMFYSA-N 2 0 298.475 0.813 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)C[C@H]1C ZINC000167986795 350817528 /nfs/dbraw/zinc/81/75/28/350817528.db2.gz BXQMQDJSJMJVCY-CHWSQXEVSA-N 2 0 283.416 0.290 10 0 CCAERP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170834443 350867060 /nfs/dbraw/zinc/86/70/60/350867060.db2.gz NLJVAHNGBATLCX-CQSZACIVSA-N 2 0 298.431 0.443 10 0 CCAERP CC[NH+](CC)CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897188 350941367 /nfs/dbraw/zinc/94/13/67/350941367.db2.gz HJCSUXURCUXVHA-CYBMUJFWSA-N 2 0 268.405 0.818 10 0 CCAERP Cn1cc([C@@H]2CCCN2CC(=O)N2CCN(C)CC2)cn1 ZINC000180471994 351285570 /nfs/dbraw/zinc/28/55/70/351285570.db2.gz NVRWXMDSGVOJQG-AWEZNQCLSA-N 2 0 291.399 0.331 10 0 CCAERP C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC[NH2+]1 ZINC000180895960 351294154 /nfs/dbraw/zinc/29/41/54/351294154.db2.gz GDRRYGRBCRVXQC-BRZZBQFESA-N 2 0 251.374 0.918 10 0 CCAERP [NH3+]CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189000766 351645616 /nfs/dbraw/zinc/64/56/16/351645616.db2.gz AMPXIOCZHSKEEI-SKDRFNHKSA-N 2 0 269.295 0.485 10 0 CCAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000227804392 352058864 /nfs/dbraw/zinc/05/88/64/352058864.db2.gz ISFOKWHWBCYASY-KFWWJZLASA-N 2 0 296.459 0.502 10 0 CCAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000226687139 352031592 /nfs/dbraw/zinc/03/15/92/352031592.db2.gz WQGTTYMORWGMIY-BFHYXJOUSA-N 2 0 285.432 0.990 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]C1CC1 ZINC000251794903 352511737 /nfs/dbraw/zinc/51/17/37/352511737.db2.gz NQGYAFQTNWXFER-YPMHNXCESA-N 2 0 251.374 0.824 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCN1CC[NH2+]CC1 ZINC000251866450 352512665 /nfs/dbraw/zinc/51/26/65/352512665.db2.gz SYLQQODWZXHUHW-KGLIPLIRSA-N 2 0 252.406 0.060 10 0 CCAERP O=C(C[NH2+]C[C@H]1CCCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328634705 354242959 /nfs/dbraw/zinc/24/29/59/354242959.db2.gz MYBZYJFHRMQNGS-TZMCWYRMSA-N 2 0 281.400 0.498 10 0 CCAERP [NH3+][C@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)C1CC1 ZINC000328655438 354246021 /nfs/dbraw/zinc/24/60/21/354246021.db2.gz YKLJOCADAJLRCB-WCQYABFASA-N 2 0 251.374 0.857 10 0 CCAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824575 354800477 /nfs/dbraw/zinc/80/04/77/354800477.db2.gz RPTYFSZDWUPMKN-CRWXNKLISA-N 2 0 298.431 0.081 10 0 CCAERP [NH3+][C@H]1CCCN(C(=O)NC[C@@H]2CCNCC2(F)F)C1 ZINC000335062530 354954320 /nfs/dbraw/zinc/95/43/20/354954320.db2.gz KJBZMJSRPCEETQ-UWVGGRQHSA-N 2 0 276.331 0.364 10 0 CCAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@@H](CC[NH3+])C1 ZINC000616655493 365410811 /nfs/dbraw/zinc/41/08/11/365410811.db2.gz ZZXLHEGWNKCVMB-LBPRGKRZSA-N 2 0 287.404 0.951 10 0 CCAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@@H](CC[NH3+])C1 ZINC000616596744 365377194 /nfs/dbraw/zinc/37/71/94/365377194.db2.gz AMPKGQHWJCMOOR-LBPRGKRZSA-N 2 0 287.404 0.808 10 0 CCAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000333431710 205315856 /nfs/dbraw/zinc/31/58/56/205315856.db2.gz URPNYXRWOILAPP-MCIONIFRSA-N 2 0 282.432 0.953 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000334948258 207339353 /nfs/dbraw/zinc/33/93/53/207339353.db2.gz YZOMIQVOWOLMQO-AAEUAGOBSA-N 2 0 254.378 0.379 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335396764 208366262 /nfs/dbraw/zinc/36/62/62/208366262.db2.gz SLVNFMDAYYAROH-UHFFFAOYSA-N 2 0 252.362 0.133 10 0 CCAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040855281 388858740 /nfs/dbraw/zinc/85/87/40/388858740.db2.gz JCHONGNLCVNPRD-KBPBESRZSA-N 2 0 277.368 0.087 10 0 CCAERP CC[N@H+](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000186926116 388860269 /nfs/dbraw/zinc/86/02/69/388860269.db2.gz OTVXNPAAFISBOX-UHTWSYAYSA-N 2 0 251.374 0.666 10 0 CCAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188694143 388937647 /nfs/dbraw/zinc/93/76/47/388937647.db2.gz HYTDINBJGOONFC-NWDGAFQWSA-N 2 0 257.353 0.487 10 0 CCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)O1 ZINC000094569420 389040217 /nfs/dbraw/zinc/04/02/17/389040217.db2.gz OAHXJTWFGAETGZ-KGLIPLIRSA-N 2 0 281.400 0.580 10 0 CCAERP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252560724 389265294 /nfs/dbraw/zinc/26/52/94/389265294.db2.gz VVZASTAGEPUBLE-RNJOBUHISA-N 2 0 267.373 0.093 10 0 CCAERP O=C(C[NH2+]CC1CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262639709 389290997 /nfs/dbraw/zinc/29/09/97/389290997.db2.gz JRCDLUALWVKAHV-HNNXBMFYSA-N 2 0 295.427 0.557 10 0 CCAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1C[NH2+]C1 ZINC000263322754 389299541 /nfs/dbraw/zinc/29/95/41/389299541.db2.gz RSXGEDHXYARLCM-UTUOFQBUSA-N 2 0 253.390 0.688 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000333800357 389443950 /nfs/dbraw/zinc/44/39/50/389443950.db2.gz HQCJNOXBEZSLSX-IHRRRGAJSA-N 2 0 298.431 0.225 10 0 CCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000333800360 389444013 /nfs/dbraw/zinc/44/40/13/389444013.db2.gz HQCJNOXBEZSLSX-RDBSUJKOSA-N 2 0 298.431 0.225 10 0 CCAERP C[C@@H]([NH2+]CCCN1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000643454250 390448121 /nfs/dbraw/zinc/44/81/21/390448121.db2.gz QDCOOOJAOIMIPX-KGLIPLIRSA-N 2 0 255.406 0.686 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643773508 390540362 /nfs/dbraw/zinc/54/03/62/390540362.db2.gz AEOUSZSDHFUEFP-GFCCVEGCSA-N 2 0 269.389 0.211 10 0 CCAERP C[NH+](C)C1(CNC(=O)[C@H]2C[NH2+]CCOC2)CCCC1 ZINC000649277579 390544871 /nfs/dbraw/zinc/54/48/71/390544871.db2.gz GLESVHNMNZUAEA-LBPRGKRZSA-N 2 0 269.389 0.213 10 0 CCAERP COCCC1(C(=O)NCC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000649280962 390548276 /nfs/dbraw/zinc/54/82/76/390548276.db2.gz YMZZMAKDIWHFQE-UHFFFAOYSA-N 2 0 283.416 0.605 10 0 CCAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649285428 390550957 /nfs/dbraw/zinc/55/09/57/390550957.db2.gz ZFZQVWSKTUYXND-ZDUSSCGKSA-N 2 0 283.416 0.554 10 0 CCAERP CC[C@@H]1CN(C(=O)[C@H](C)C2C[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000262467698 287162875 /nfs/dbraw/zinc/16/28/75/287162875.db2.gz XZDUDORNEWUIAI-YRGRVCCFSA-N 2 0 283.416 0.146 10 0 CCAERP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cn2cncc2cn1 ZINC000039073357 174162238 /nfs/dbraw/zinc/16/22/38/174162238.db2.gz QYTODHDUENJTBM-FXPVBKGRSA-N 2 0 257.297 0.210 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662591801 414730984 /nfs/dbraw/zinc/73/09/84/414730984.db2.gz FVXTYOWVYXCXKI-GRYCIOLGSA-N 2 0 271.380 0.923 10 0 CCAERP [NH3+]C[C@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000071600848 176226934 /nfs/dbraw/zinc/22/69/34/176226934.db2.gz MMHCTKNDOGNUCI-LBPRGKRZSA-N 2 0 269.414 0.228 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089454375 544512969 /nfs/dbraw/zinc/51/29/69/544512969.db2.gz PFQMAKIEJGTLKO-OBJOEFQTSA-N 2 0 265.401 0.962 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111247279 544562111 /nfs/dbraw/zinc/56/21/11/544562111.db2.gz SXFDPAGJRDFCPG-KOLCDFICSA-N 2 0 279.306 0.691 10 0 CCAERP CC[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246235087 544909253 /nfs/dbraw/zinc/90/92/53/544909253.db2.gz IFCAZEIARMIWAO-RYUDHWBXSA-N 2 0 271.405 0.417 10 0 CCAERP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262075433 544939228 /nfs/dbraw/zinc/93/92/28/544939228.db2.gz CADNZXYDKYNDNS-KGLIPLIRSA-N 2 0 277.368 0.058 10 0 CCAERP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262075438 544939414 /nfs/dbraw/zinc/93/94/14/544939414.db2.gz CADNZXYDKYNDNS-UONOGXRCSA-N 2 0 277.368 0.058 10 0 CCAERP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262086833 544939469 /nfs/dbraw/zinc/93/94/69/544939469.db2.gz GEOQUYOUTRRJGL-MPKXVKKWSA-N 2 0 252.333 0.927 10 0 CCAERP C[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000333636537 545041311 /nfs/dbraw/zinc/04/13/11/545041311.db2.gz TXDCKSOSFFGOPF-YPMHNXCESA-N 2 0 268.405 0.707 10 0 CCAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000262153453 275054767 /nfs/dbraw/zinc/05/47/67/275054767.db2.gz RMYZJYXNVYFMLJ-IACUBPJLSA-N 2 0 266.772 0.977 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246193429 276372372 /nfs/dbraw/zinc/37/23/72/276372372.db2.gz MNGCFSDJPUZGKM-KGLIPLIRSA-N 2 0 298.431 0.443 10 0 CCAERP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261768904 276754720 /nfs/dbraw/zinc/75/47/20/276754720.db2.gz ODHLGUSEKJAPOD-UKRRQHHQSA-N 2 0 296.459 0.504 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246272606 279326699 /nfs/dbraw/zinc/32/66/99/279326699.db2.gz LXGBKIYREUDZHF-WCQYABFASA-N 2 0 257.353 0.631 10 0 CCAERP CC[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000261886255 288259128 /nfs/dbraw/zinc/25/91/28/288259128.db2.gz ZSZHILAWPAYPFR-ZQDZILKHSA-N 2 0 297.443 0.808 10 0 CCAERP CC[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000261716949 281141261 /nfs/dbraw/zinc/14/12/61/281141261.db2.gz JRVUFKOSLCRTED-APIJFGDWSA-N 2 0 297.443 0.665 10 0 CCAERP CO[C@H](C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000182138700 294272566 /nfs/dbraw/zinc/27/25/66/294272566.db2.gz AGBKADCSIBFODF-HZPDHXFCSA-N 2 0 299.459 0.748 10 0 CCAERP OCCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000384746803 545085419 /nfs/dbraw/zinc/08/54/19/545085419.db2.gz RPJOIMJRTZETOC-KKUMJFAQSA-N 2 0 267.417 0.660 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261807626 295271982 /nfs/dbraw/zinc/27/19/82/295271982.db2.gz NBTOJECEGXPZPJ-XHJNMGKDSA-N 2 0 265.401 0.947 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000193590684 297544427 /nfs/dbraw/zinc/54/44/27/297544427.db2.gz DDVKZPSSMGLDKO-SMDDNHRTSA-N 2 0 273.380 0.739 10 0 CCAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334171226 303470543 /nfs/dbraw/zinc/47/05/43/303470543.db2.gz BFIXEQSVWFBWMZ-VXGBXAGGSA-N 2 0 251.374 0.716 10 0 CCAERP CCN(CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000580768419 335964151 /nfs/dbraw/zinc/96/41/51/335964151.db2.gz CGBPRTHBFZWPDI-QWHCGFSZSA-N 2 0 291.461 0.636 10 0 CCAERP C[C@H](CC[NH2+]C1CC1)N1CCN(CC[NH+](C)C)CC1 ZINC000061655027 524192920 /nfs/dbraw/zinc/19/29/20/524192920.db2.gz XSQCUKRJEWNHMO-CQSZACIVSA-N 2 0 268.449 0.696 10 0 CCAERP C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH3+] ZINC000055123529 524637458 /nfs/dbraw/zinc/63/74/58/524637458.db2.gz IMHWSXQZDMIXKO-VZZFWQQMSA-N 2 0 265.401 0.960 10 0 CCAERP C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055136285 525189579 /nfs/dbraw/zinc/18/95/79/525189579.db2.gz WCENWYOSIQNWPH-XQHKEYJVSA-N 2 0 253.390 0.960 10 0 CCAERP [NH3+]CCCCS(=O)(=O)NCC[NH+]1CCCCC1 ZINC000049575325 527177515 /nfs/dbraw/zinc/17/75/15/527177515.db2.gz IBTKQOMOTBOLBZ-UHFFFAOYSA-N 2 0 263.407 0.131 10 0 CCAERP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000823360515 613954669 /nfs/dbraw/zinc/95/46/69/613954669.db2.gz GVGVVFRSIVRWIX-MJBXVCDLSA-N 2 0 297.443 0.869 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000049645718 622736260 /nfs/dbraw/zinc/73/62/60/622736260.db2.gz IDWRWGFOJHKAPR-CYBMUJFWSA-N 2 0 289.445 0.390 10 0 CCAERP COCCOCCOCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000311853685 623806805 /nfs/dbraw/zinc/80/68/05/623806805.db2.gz SXNCADBQCJWKRR-MELADBBJSA-N 2 0 272.389 0.335 10 0 CCAERP [NH2+]=C(NC[C@@H](O)C[NH+]1CCCCC1)NC1CCCC1 ZINC000171145551 637117603 /nfs/dbraw/zinc/11/76/03/637117603.db2.gz ZAVXPFUCMGLJLH-CYBMUJFWSA-N 2 0 268.405 0.890 10 0 CCAERP [NH3+][C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C1CC1 ZINC000123833623 646191465 /nfs/dbraw/zinc/19/14/65/646191465.db2.gz ISGHRKUGSORXEH-OLZOCXBDSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000251785527 649819117 /nfs/dbraw/zinc/81/91/17/649819117.db2.gz NDSDUHPTUMWIQV-KGYLQXTDSA-N 2 0 251.374 0.809 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252651478 649830815 /nfs/dbraw/zinc/83/08/15/649830815.db2.gz OLQHRMIRGOADRA-XUXIUFHCSA-N 2 0 281.400 0.354 10 0 CCAERP COc1c(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)nn1C ZINC000252893930 137004367 /nfs/dbraw/zinc/00/43/67/137004367.db2.gz SBBGHMMNHGYLQD-QWHCGFSZSA-N 2 0 294.399 0.690 10 0 CCAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262371204 137040885 /nfs/dbraw/zinc/04/08/85/137040885.db2.gz WCLRDUREJVMWOX-KGLIPLIRSA-N 2 0 293.415 0.180 10 0 CCAERP O=C(NCC[NH+]1CCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262555369 137046878 /nfs/dbraw/zinc/04/68/78/137046878.db2.gz PIYGMFOBLNBWIE-DZGCQCFKSA-N 2 0 265.401 0.978 10 0 CCAERP C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261809521 137021018 /nfs/dbraw/zinc/02/10/18/137021018.db2.gz OQDXPMNUDHGEOH-KOLCDFICSA-N 2 0 282.388 0.422 10 0 CCAERP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261834515 137022231 /nfs/dbraw/zinc/02/22/31/137022231.db2.gz PABJIMLCSIPUTN-JHJVBQTASA-N 2 0 253.390 0.962 10 0 CCAERP O=C(CC[N@@H+]1CCC[C@@H](n2cccn2)C1)N1CC[NH2+]CC1 ZINC000262174245 137029259 /nfs/dbraw/zinc/02/92/59/137029259.db2.gz QOXPDQZTTMSGJT-CQSZACIVSA-N 2 0 291.399 0.342 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000054305919 348548664 /nfs/dbraw/zinc/54/86/64/348548664.db2.gz XYVDNEJYFXPFNM-CYBMUJFWSA-N 2 0 253.390 0.978 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000062972350 348673804 /nfs/dbraw/zinc/67/38/04/348673804.db2.gz ZLMMYGAGLRIFGY-ZDUSSCGKSA-N 2 0 253.390 0.929 10 0 CCAERP C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000104211501 185932644 /nfs/dbraw/zinc/93/26/44/185932644.db2.gz DWENHCMZCBCBPN-WCQYABFASA-N 2 0 253.390 0.642 10 0 CCAERP CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000129625826 350218380 /nfs/dbraw/zinc/21/83/80/350218380.db2.gz BXMNAERMSBBWFB-ZIAGYGMSSA-N 2 0 294.443 0.413 10 0 CCAERP CC[NH+]1CCC(CNC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129716083 350221341 /nfs/dbraw/zinc/22/13/41/350221341.db2.gz DRBANBJDMWVIOU-UHFFFAOYSA-N 2 0 296.459 0.518 10 0 CCAERP CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000129743905 350222220 /nfs/dbraw/zinc/22/22/20/350222220.db2.gz AKSGSYHRZJYSLX-CQSZACIVSA-N 2 0 294.443 0.367 10 0 CCAERP CCC[C@H](C(=O)NC1CC[NH+](CCOC)CC1)[NH+](C)C ZINC000161783748 350729354 /nfs/dbraw/zinc/72/93/54/350729354.db2.gz HBYJBTIPOQSBEN-CQSZACIVSA-N 2 0 285.432 0.944 10 0 CCAERP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167397722 350809752 /nfs/dbraw/zinc/80/97/52/350809752.db2.gz VMXTVXHCSWDBRA-KBPBESRZSA-N 2 0 281.400 0.309 10 0 CCAERP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CC12CCOCC2 ZINC000169792435 350840426 /nfs/dbraw/zinc/84/04/26/350840426.db2.gz NMQBMABRPZTPPP-LBPRGKRZSA-N 2 0 269.389 0.023 10 0 CCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000171901552 350941654 /nfs/dbraw/zinc/94/16/54/350941654.db2.gz FHDWJOWTKBNHJS-ZFWWWQNUSA-N 2 0 292.427 0.960 10 0 CCAERP CCOCCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000176024573 351154215 /nfs/dbraw/zinc/15/42/15/351154215.db2.gz MXEMCPNMZJLOJC-CQSZACIVSA-N 2 0 294.399 0.809 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188729681 351622144 /nfs/dbraw/zinc/62/21/44/351622144.db2.gz HBUYEIWFLPFXKG-LLVKDONJSA-N 2 0 293.415 0.762 10 0 CCAERP CCS(=O)(=O)CC[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000217734396 351950696 /nfs/dbraw/zinc/95/06/96/351950696.db2.gz QMFCNLFYWXYFNL-UHFFFAOYSA-N 2 0 274.430 0.887 10 0 CCAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000230712430 352118762 /nfs/dbraw/zinc/11/87/62/352118762.db2.gz GHKZIWJGQXRBLX-ZIAGYGMSSA-N 2 0 285.432 0.944 10 0 CCAERP C[C@H](C(N)=O)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245385379 352318078 /nfs/dbraw/zinc/31/80/78/352318078.db2.gz CGWKHCIUZFUMJK-JHJVBQTASA-N 2 0 283.416 0.681 10 0 CCAERP CC[N@H+](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000248629730 352449962 /nfs/dbraw/zinc/44/99/62/352449962.db2.gz OTVXNPAAFISBOX-WCFLWFBJSA-N 2 0 251.374 0.666 10 0 CCAERP CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000249058403 352475608 /nfs/dbraw/zinc/47/56/08/352475608.db2.gz ZIHGVJRBIXOXIT-ARQSVGKCSA-N 2 0 295.427 0.837 10 0 CCAERP C[C@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1[NH3+] ZINC000333620612 354764530 /nfs/dbraw/zinc/76/45/30/354764530.db2.gz RODUKVQNGBZBGI-SMDDNHRTSA-N 2 0 280.416 0.849 10 0 CCAERP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000333672163 354774369 /nfs/dbraw/zinc/77/43/69/354774369.db2.gz NHDZGXNMGAUABO-SDDRHHMPSA-N 2 0 254.378 0.520 10 0 CCAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655515354 412605915 /nfs/dbraw/zinc/60/59/15/412605915.db2.gz YVPIROFWORUIAT-QMMMGPOBSA-N 2 0 253.268 0.334 10 0 CCAERP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000365706638 357165352 /nfs/dbraw/zinc/16/53/52/357165352.db2.gz FLZPPQJWNGBMEC-UONOGXRCSA-N 2 0 283.416 0.827 10 0 CCAERP Cc1noc(CCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000567890454 358606962 /nfs/dbraw/zinc/60/69/62/358606962.db2.gz QKCRFSTXKRACOP-TUAOUCFPSA-N 2 0 250.346 0.980 10 0 CCAERP C[C@H]1C[N@H+](CCn2nc3ccccn3c2=O)C[C@H]1C[NH3+] ZINC000631841654 370708747 /nfs/dbraw/zinc/70/87/47/370708747.db2.gz NMUJTXJRWBENQE-NWDGAFQWSA-N 2 0 275.356 0.023 10 0 CCAERP O=C([C@H]1CCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101705 296107555 /nfs/dbraw/zinc/10/75/55/296107555.db2.gz PRESUUNMCADHOK-CYBMUJFWSA-N 2 0 251.374 0.825 10 0 CCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333391486 205281467 /nfs/dbraw/zinc/28/14/67/205281467.db2.gz OWIBWEBZLSZJNV-RDBSUJKOSA-N 2 0 298.431 0.081 10 0 CCAERP CC(C)N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1=O ZINC000571055521 291787817 /nfs/dbraw/zinc/78/78/17/291787817.db2.gz LEXHFGCYVAMGRX-YNEHKIRRSA-N 2 0 253.390 0.973 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000310921475 389100005 /nfs/dbraw/zinc/10/00/05/389100005.db2.gz HGHJOEQFVPOEHD-RTXFEEFZSA-N 2 0 251.374 0.395 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000311652277 389104414 /nfs/dbraw/zinc/10/44/14/389104414.db2.gz FASMYXHSYMOIQV-UBHSHLNASA-N 2 0 265.401 0.927 10 0 CCAERP O=C(C1C[NH2+]C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262264791 389283907 /nfs/dbraw/zinc/28/39/07/389283907.db2.gz RTGVZYSFTXULDO-LBPRGKRZSA-N 2 0 251.374 0.540 10 0 CCAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000170830565 389464164 /nfs/dbraw/zinc/46/41/64/389464164.db2.gz LZGKUHRZGXBAFF-JSGCOSHPSA-N 2 0 280.416 0.816 10 0 CCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333938884 389450145 /nfs/dbraw/zinc/45/01/45/389450145.db2.gz MWEFUTCVLURYAO-QNWHQSFQSA-N 2 0 266.389 0.459 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cncn2C)CC1 ZINC000177055352 389570931 /nfs/dbraw/zinc/57/09/31/389570931.db2.gz WJRPKELKUFIZLW-ZDUSSCGKSA-N 2 0 280.416 0.945 10 0 CCAERP O=C([C@H]1CCC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336003827 389620270 /nfs/dbraw/zinc/62/02/70/389620270.db2.gz ODPWYOATBWUOIP-KGLIPLIRSA-N 2 0 265.401 0.834 10 0 CCAERP COCCC1(C(=O)NC[C@@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000649305984 390565309 /nfs/dbraw/zinc/56/53/09/390565309.db2.gz SFFOUGHUPNXDDN-GFCCVEGCSA-N 2 0 271.405 0.459 10 0 CCAERP COC[C@@]1(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000649319599 390577573 /nfs/dbraw/zinc/57/75/73/390577573.db2.gz IJUONTUGMNDRNN-BXUZGUMPSA-N 2 0 269.389 0.354 10 0 CCAERP C[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190713582 130139321 /nfs/dbraw/zinc/13/93/21/130139321.db2.gz SAIGVRUPYKSYIL-HNNXBMFYSA-N 2 0 290.411 0.924 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037826896 397388541 /nfs/dbraw/zinc/38/85/41/397388541.db2.gz RHUIYJYHAJBVJF-UHFFFAOYSA-N 2 0 283.416 0.685 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000380956649 397484427 /nfs/dbraw/zinc/48/44/27/397484427.db2.gz RPFUZYRKQJCWLN-SNVBAGLBSA-N 2 0 255.366 0.173 10 0 CCAERP CCC[NH+]1CCN(c2c(C[NH3+])c(C)nn2C)CC1 ZINC000020469733 171211799 /nfs/dbraw/zinc/21/17/99/171211799.db2.gz VIYOULZCGCGDPY-UHFFFAOYSA-N 2 0 251.378 0.719 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[NH+]1CCCC1 ZINC000653347502 412292149 /nfs/dbraw/zinc/29/21/49/412292149.db2.gz DWVHKXPXUIJNHV-GMTAPVOTSA-N 2 0 293.333 0.985 10 0 CCAERP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653348967 412293838 /nfs/dbraw/zinc/29/38/38/412293838.db2.gz YJOFLPCDKFIWFP-GHMZBOCLSA-N 2 0 291.317 0.762 10 0 CCAERP C[N@@H+]1CCCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000035429979 172198390 /nfs/dbraw/zinc/19/83/90/172198390.db2.gz YQWZAPCKKVBNSV-UHFFFAOYSA-N 2 0 265.386 0.996 10 0 CCAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000662703587 414743470 /nfs/dbraw/zinc/74/34/70/414743470.db2.gz MDNFLYHRSNXGGB-JHJVBQTASA-N 2 0 253.390 0.975 10 0 CCAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1(C)CC[NH2+]CC1 ZINC000071189596 176065340 /nfs/dbraw/zinc/06/53/40/176065340.db2.gz IZBHMUNPLJZQIU-LBPRGKRZSA-N 2 0 253.390 0.786 10 0 CCAERP C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C[NH3+] ZINC000261615723 287335222 /nfs/dbraw/zinc/33/52/22/287335222.db2.gz BSQLTLYURVGIPN-WYUUTHIRSA-N 2 0 255.362 0.079 10 0 CCAERP CO[C@@H]1C[NH2+][C@H](CN2CC[NH+](CC(C)C)CC2)C1 ZINC000055083616 544444863 /nfs/dbraw/zinc/44/48/63/544444863.db2.gz YOIBSRHTDDZYNH-KBPBESRZSA-N 2 0 255.406 0.637 10 0 CCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089454343 544513353 /nfs/dbraw/zinc/51/33/53/544513353.db2.gz UWWHZTLXSDMCNI-JHJVBQTASA-N 2 0 253.390 0.819 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250219618 544921642 /nfs/dbraw/zinc/92/16/42/544921642.db2.gz DPVLBWQAXFMRDX-AVGNSLFASA-N 2 0 253.390 0.962 10 0 CCAERP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000250217098 544922041 /nfs/dbraw/zinc/92/20/41/544922041.db2.gz DIAPHCQUUXCYNE-HZSPNIEDSA-N 2 0 255.406 0.779 10 0 CCAERP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262086837 544938899 /nfs/dbraw/zinc/93/88/99/544938899.db2.gz GEOQUYOUTRRJGL-QKCSRTOESA-N 2 0 252.333 0.927 10 0 CCAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000262188825 544942346 /nfs/dbraw/zinc/94/23/46/544942346.db2.gz YAQCJEWZHDVNJO-OCCSQVGLSA-N 2 0 268.401 0.896 10 0 CCAERP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC000263243199 274127539 /nfs/dbraw/zinc/12/75/39/274127539.db2.gz OYNAOCZRLKMUNV-IIAWOOMASA-N 2 0 276.380 0.722 10 0 CCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)C)CC1 ZINC000105862088 278395076 /nfs/dbraw/zinc/39/50/76/278395076.db2.gz WCGDTRIYKGPQND-GFCCVEGCSA-N 2 0 271.405 0.099 10 0 CCAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121197530 288106487 /nfs/dbraw/zinc/10/64/87/288106487.db2.gz RFMPJRIJQQXLOB-IJLUTSLNSA-N 2 0 277.434 0.244 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000104211499 288325613 /nfs/dbraw/zinc/32/56/13/288325613.db2.gz DWENHCMZCBCBPN-DGCLKSJQSA-N 2 0 253.390 0.642 10 0 CCAERP OCCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000384746804 545085472 /nfs/dbraw/zinc/08/54/72/545085472.db2.gz RPJOIMJRTZETOC-QLFBSQMISA-N 2 0 267.417 0.660 10 0 CCAERP [NH3+]C[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000335180927 295268652 /nfs/dbraw/zinc/26/86/52/295268652.db2.gz MWFZTFYGUZFRDS-VXGBXAGGSA-N 2 0 254.378 0.509 10 0 CCAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000223400632 295306788 /nfs/dbraw/zinc/30/67/88/295306788.db2.gz LWGCLSNRRKDQFX-FRRDWIJNSA-N 2 0 251.374 0.811 10 0 CCAERP C[C@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000333863853 299941097 /nfs/dbraw/zinc/94/10/97/299941097.db2.gz SPYVGUQUFOZKPJ-SDDRHHMPSA-N 2 0 254.378 0.507 10 0 CCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261672239 303425772 /nfs/dbraw/zinc/42/57/72/303425772.db2.gz CTGVFJVCZIANMK-UMVBOHGHSA-N 2 0 265.401 0.964 10 0 CCAERP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000185122717 303431815 /nfs/dbraw/zinc/43/18/15/303431815.db2.gz HLRFVKAQKVJCRW-BFHYXJOUSA-N 2 0 259.353 0.955 10 0 CCAERP CC(C)(C)OC(=O)N1CCC[C@](C[NH3+])(C[C@H](O)C[NH3+])C1 ZINC000536955289 330383092 /nfs/dbraw/zinc/38/30/92/330383092.db2.gz OPNKQJTYMKASIE-SMDDNHRTSA-N 2 0 287.404 0.672 10 0 CCAERP C[NH+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000423509266 545094560 /nfs/dbraw/zinc/09/45/60/545094560.db2.gz ONONSHOSHYUSSQ-UONOGXRCSA-N 2 0 279.359 0.949 10 0 CCAERP CC(C)C[NH2+]C[C@]1(C[N@@H+]2CC[C@H](O)C2)CCOC1 ZINC000061711799 519746812 /nfs/dbraw/zinc/74/68/12/519746812.db2.gz YPTQZYMCJCTFBS-KBPBESRZSA-N 2 0 256.390 0.705 10 0 CCAERP CC[NH2+][C@@](C)(CN1CC[NH+](CC(C)C)CC1)C(N)=O ZINC000055081381 520136466 /nfs/dbraw/zinc/13/64/66/520136466.db2.gz LTJTZHRGGZQXJE-AWEZNQCLSA-N 2 0 270.421 0.114 10 0 CCAERP CC[NH+](CC)[C@H]1CCN(CCn2cc(C[NH3+])nn2)C1 ZINC000062972230 520873030 /nfs/dbraw/zinc/87/30/30/520873030.db2.gz UABKLPCFRHVONE-ZDUSSCGKSA-N 2 0 266.393 0.153 10 0 CCAERP COCC[NH2+]CCCN1CC[NH+](CC(C)C)CC1 ZINC000055075845 523936245 /nfs/dbraw/zinc/93/62/45/523936245.db2.gz VZHLZZVPHRFQLX-UHFFFAOYSA-N 2 0 257.422 0.886 10 0 CCAERP C[C@H]1CCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000062080916 524124355 /nfs/dbraw/zinc/12/43/55/524124355.db2.gz GVEDKERCWJOLBI-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000049560697 524476398 /nfs/dbraw/zinc/47/63/98/524476398.db2.gz XIJWEJNVGVYOEJ-VIFPVBQESA-N 2 0 291.442 0.825 10 0 CCAERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055126700 524767543 /nfs/dbraw/zinc/76/75/43/524767543.db2.gz MVOGNSCHTNOFNL-GVXVVHGQSA-N 2 0 253.390 0.960 10 0 CCAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000050564943 525639398 /nfs/dbraw/zinc/63/93/98/525639398.db2.gz KTOFJMZILQRVED-QWHCGFSZSA-N 2 0 253.390 0.929 10 0 CCAERP O=C(CCC1CC[NH2+]CC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000050940076 526411177 /nfs/dbraw/zinc/41/11/77/526411177.db2.gz IHOGRJYKWQJRNQ-CQSZACIVSA-N 2 0 265.401 0.977 10 0 CCAERP [NH3+]CCCCS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049568657 527177432 /nfs/dbraw/zinc/17/74/32/527177432.db2.gz KGCQMLFVEAEBFR-RYUDHWBXSA-N 2 0 275.418 0.272 10 0 CCAERP COCCN1CC[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675052871 545320531 /nfs/dbraw/zinc/32/05/31/545320531.db2.gz BIRLEOIMWGMBTR-ZIAGYGMSSA-N 2 0 255.406 0.768 10 0 CCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000263276203 535914701 /nfs/dbraw/zinc/91/47/01/535914701.db2.gz IXZYXQUBXYBVFG-UHFFFAOYSA-N 2 0 277.368 0.463 10 0 CCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000094460233 631262176 /nfs/dbraw/zinc/26/21/76/631262176.db2.gz FNUQPIUVJCKFIF-SCRDCRAPSA-N 2 0 251.374 0.824 10 0 CCAERP C[C@H]1CN(C(=O)CN(C)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000231670361 637225948 /nfs/dbraw/zinc/22/59/48/637225948.db2.gz AXIKKKGTQXWVRP-QWHCGFSZSA-N 2 0 269.389 0.308 10 0 CCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC2OCCO2)CC1 ZINC000124181334 646303402 /nfs/dbraw/zinc/30/34/02/646303402.db2.gz IRSNDUZJXVWTSY-ZDUSSCGKSA-N 2 0 286.416 0.774 10 0 CCAERP C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105079957 349720507 /nfs/dbraw/zinc/72/05/07/349720507.db2.gz AJMUFULGZVULFK-AWEZNQCLSA-N 2 0 280.416 0.960 10 0 CCAERP C[NH2+]C1CN(c2cc[nH+]c(NCC(C)(C)O)c2)C1 ZINC000114699124 349836893 /nfs/dbraw/zinc/83/68/93/349836893.db2.gz LDMYQCQRMNCPAV-UHFFFAOYSA-N 2 0 250.346 0.672 10 0 CCAERP CC[NH+](CC)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788810 349872104 /nfs/dbraw/zinc/87/21/04/349872104.db2.gz AGVCJTCJJCQLBI-LBPRGKRZSA-N 2 0 257.378 0.117 10 0 CCAERP COc1ccc([C@H](C)C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263142264 137059352 /nfs/dbraw/zinc/05/93/52/137059352.db2.gz CJWLYTRKNFKZQU-UXIGCNINSA-N 2 0 264.369 0.969 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000262265930 137033770 /nfs/dbraw/zinc/03/37/70/137033770.db2.gz RZGIYODULLFFBF-DOMZBBRYSA-N 2 0 273.380 0.985 10 0 CCAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000263249345 137061724 /nfs/dbraw/zinc/06/17/24/137061724.db2.gz PQMCJDISXBNZPW-DZGCQCFKSA-N 2 0 272.352 0.542 10 0 CCAERP C[C@@H]1C[N@@H+](CCCCNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263299234 137063494 /nfs/dbraw/zinc/06/34/94/137063494.db2.gz NCHBLXDZJZBOEJ-TXEJJXNPSA-N 2 0 269.389 0.211 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N(C)C2CC[NH+](C(C)C)CC2)C1 ZINC000040635063 348240468 /nfs/dbraw/zinc/24/04/68/348240468.db2.gz CCTISIBLWIYYTH-ZIAGYGMSSA-N 2 0 283.416 0.695 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000054291746 348547971 /nfs/dbraw/zinc/54/79/71/348547971.db2.gz AOOSKYOLMXYLBF-CYBMUJFWSA-N 2 0 253.390 0.978 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000054305917 348548794 /nfs/dbraw/zinc/54/87/94/348548794.db2.gz XYVDNEJYFXPFNM-ZDUSSCGKSA-N 2 0 253.390 0.978 10 0 CCAERP CC[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000154653972 350595721 /nfs/dbraw/zinc/59/57/21/350595721.db2.gz WGFQBPBHBIOOQJ-YPMHNXCESA-N 2 0 269.389 0.042 10 0 CCAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178756324 351244701 /nfs/dbraw/zinc/24/47/01/351244701.db2.gz RGXXSIVNJZDJJV-GFCCVEGCSA-N 2 0 283.441 0.778 10 0 CCAERP CC[NH+](CC)CCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000191786647 351772880 /nfs/dbraw/zinc/77/28/80/351772880.db2.gz TWLNBGWPWYPZPY-AWEZNQCLSA-N 2 0 257.422 0.981 10 0 CCAERP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000249058405 352475765 /nfs/dbraw/zinc/47/57/65/352475765.db2.gz ZIHGVJRBIXOXIT-CHZLEKFTSA-N 2 0 295.427 0.837 10 0 CCAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250609564 352506467 /nfs/dbraw/zinc/50/64/67/352506467.db2.gz MHDSPIYHSOMUJQ-AGIUHOORSA-N 2 0 253.390 0.962 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000252199308 352513875 /nfs/dbraw/zinc/51/38/75/352513875.db2.gz VZPWOWWVKDABGC-UPJWGTAASA-N 2 0 253.390 0.975 10 0 CCAERP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000312824590 354211453 /nfs/dbraw/zinc/21/14/53/354211453.db2.gz UBHQBKYPBKUOHC-ILXRZTDVSA-N 2 0 285.432 0.094 10 0 CCAERP [NH3+][C@@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)C1CC1 ZINC000328655439 354246181 /nfs/dbraw/zinc/24/61/81/354246181.db2.gz YKLJOCADAJLRCB-YPMHNXCESA-N 2 0 251.374 0.857 10 0 CCAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000333911335 354814590 /nfs/dbraw/zinc/81/45/90/354814590.db2.gz FCMKZKGVJQKLND-XQQFMLRXSA-N 2 0 268.405 0.707 10 0 CCAERP C[C@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCCC[NH2+]1 ZINC000334655722 354919163 /nfs/dbraw/zinc/91/91/63/354919163.db2.gz SVVZOEDKLBLPLW-MWLCHTKSSA-N 2 0 261.316 0.632 10 0 CCAERP Cc1noc(CCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000567890452 358607025 /nfs/dbraw/zinc/60/70/25/358607025.db2.gz QKCRFSTXKRACOP-SDDRHHMPSA-N 2 0 250.346 0.980 10 0 CCAERP CCN1CC[C@H]2CN(CCC[NH+](C)C)CCN2C1=O ZINC000584640113 359185222 /nfs/dbraw/zinc/18/52/22/359185222.db2.gz QYLPIHLYZUDPDG-ZDUSSCGKSA-N 2 0 268.405 0.770 10 0 CCAERP CC1(C)COCCN1CCNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333370954 205261922 /nfs/dbraw/zinc/26/19/22/205261922.db2.gz MJOBUEPDPABTQV-LBPRGKRZSA-N 2 0 284.404 0.006 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638078446 374634747 /nfs/dbraw/zinc/63/47/47/374634747.db2.gz BLQWRPCBLVQGDD-LLVKDONJSA-N 2 0 263.345 0.149 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638107409 374673507 /nfs/dbraw/zinc/67/35/07/374673507.db2.gz FHGUNQHESBVDII-OLZOCXBDSA-N 2 0 251.374 0.977 10 0 CCAERP COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC[NH2+]1 ZINC000638109204 374676671 /nfs/dbraw/zinc/67/66/71/374676671.db2.gz SKSXZGRMBAYPSD-ZFWWWQNUSA-N 2 0 281.400 0.452 10 0 CCAERP C[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000192797579 284920040 /nfs/dbraw/zinc/92/00/40/284920040.db2.gz AXEPINSCGWIXOK-AWEZNQCLSA-N 2 0 298.431 0.227 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000246401739 285018471 /nfs/dbraw/zinc/01/84/71/285018471.db2.gz UBQKFNTYNHJVAD-YRGRVCCFSA-N 2 0 280.416 0.957 10 0 CCAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000247237348 285046141 /nfs/dbraw/zinc/04/61/41/285046141.db2.gz YTSCGLFXHRJYBJ-BFHYXJOUSA-N 2 0 256.390 0.848 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000335285374 208101962 /nfs/dbraw/zinc/10/19/62/208101962.db2.gz MOBNLJXPOIWSFM-NEPJUHHUSA-N 2 0 254.378 0.474 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089459169 285231398 /nfs/dbraw/zinc/23/13/98/285231398.db2.gz DPVLBWQAXFMRDX-JHJVBQTASA-N 2 0 253.390 0.962 10 0 CCAERP CC[C@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247168652 389237294 /nfs/dbraw/zinc/23/72/94/389237294.db2.gz MSHZPXYIVKWPPC-GXTWGEPZSA-N 2 0 286.416 0.963 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1[NH3+] ZINC000333941709 389450701 /nfs/dbraw/zinc/45/07/01/389450701.db2.gz PFVMZBPUYLCKBS-XQHKEYJVSA-N 2 0 266.389 0.602 10 0 CCAERP CCC[NH+]1CCC(NC(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000649280658 390547016 /nfs/dbraw/zinc/54/70/16/390547016.db2.gz BWAPPEMBCRBPCC-OAHLLOKOSA-N 2 0 283.416 0.746 10 0 CCAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000649281177 390548579 /nfs/dbraw/zinc/54/85/79/390548579.db2.gz NZEJURCLTXIXGO-CYBMUJFWSA-N 2 0 269.389 0.215 10 0 CCAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649286086 390551197 /nfs/dbraw/zinc/55/11/97/390551197.db2.gz ROUSBZYAZNPXRA-ZFWWWQNUSA-N 2 0 283.416 0.698 10 0 CCAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649298054 390557219 /nfs/dbraw/zinc/55/72/19/390557219.db2.gz NDJHTNVYMLAUNQ-JSGCOSHPSA-N 2 0 269.389 0.213 10 0 CCAERP C[NH2+]CCCN(C)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643801666 390557819 /nfs/dbraw/zinc/55/78/19/390557819.db2.gz SKWLCXWWWHBXFO-UHFFFAOYSA-N 2 0 271.405 0.461 10 0 CCAERP COC[C@@]1(C(=O)NCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000649318465 390576422 /nfs/dbraw/zinc/57/64/22/390576422.db2.gz MWGJUUCBQTYXLB-CYBMUJFWSA-N 2 0 257.378 0.211 10 0 CCAERP CCCN(CC[NH+](C)C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649374993 390610791 /nfs/dbraw/zinc/61/07/91/390610791.db2.gz CRBCQWKVSZQSFQ-AWEZNQCLSA-N 2 0 271.405 0.555 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]12 ZINC000567270824 390685773 /nfs/dbraw/zinc/68/57/73/390685773.db2.gz PZRFSMPSUOAFOO-XJFOESAGSA-N 2 0 254.374 0.851 10 0 CCAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653107050 412220459 /nfs/dbraw/zinc/22/04/59/412220459.db2.gz VVFDXUXZWMMBIA-GHMZBOCLSA-N 2 0 293.333 0.986 10 0 CCAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653107914 412223000 /nfs/dbraw/zinc/22/30/00/412223000.db2.gz BFADZDOKSXANCX-GHMZBOCLSA-N 2 0 293.333 0.937 10 0 CCAERP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccc2nccn2c1 ZINC000039073316 174162606 /nfs/dbraw/zinc/16/26/06/174162606.db2.gz FJFCUQGQWCMREA-UTUOFQBUSA-N 2 0 256.309 0.815 10 0 CCAERP COCCOCCOCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000662267688 414703058 /nfs/dbraw/zinc/70/30/58/414703058.db2.gz XSTBUJWWEPKQCY-KKUMJFAQSA-N 2 0 286.416 0.725 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662620781 414733730 /nfs/dbraw/zinc/73/37/30/414733730.db2.gz BEPWRIDZAKCBKQ-RYUDHWBXSA-N 2 0 253.390 0.975 10 0 CCAERP C[C@H](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[NH+](C)C ZINC000662632310 414735260 /nfs/dbraw/zinc/73/52/60/414735260.db2.gz BMRJAGRIRKLXKS-OPRDCNLKSA-N 2 0 281.322 0.841 10 0 CCAERP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC2(CCC2)C1 ZINC000662723335 414746761 /nfs/dbraw/zinc/74/67/61/414746761.db2.gz FLTPQYMWXUJDJL-GFCCVEGCSA-N 2 0 263.385 0.955 10 0 CCAERP CCS(=O)(=O)C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000665275059 415583755 /nfs/dbraw/zinc/58/37/55/415583755.db2.gz BCXZENKZAIGWGK-LLVKDONJSA-N 2 0 260.403 0.685 10 0 CCAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1(C)CC[NH2+]CC1 ZINC000071189595 176065547 /nfs/dbraw/zinc/06/55/47/176065547.db2.gz IZBHMUNPLJZQIU-GFCCVEGCSA-N 2 0 253.390 0.786 10 0 CCAERP [NH3+]CC[C@H](O)C[NH+]1CCN(Cc2ccco2)CC1 ZINC000071574878 176201972 /nfs/dbraw/zinc/20/19/72/176201972.db2.gz YMHWZUSSTBSBQR-LBPRGKRZSA-N 2 0 253.346 0.107 10 0 CCAERP CC[NH+]1CCN([C@@H](CC[NH3+])C[NH+]2CCCC2)CC1 ZINC000076658671 177047438 /nfs/dbraw/zinc/04/74/38/177047438.db2.gz BJJIOHSGOMOCIH-AWEZNQCLSA-N 3 0 254.422 0.437 10 0 CCAERP CC[C@@](C)(C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257953 545880145 /nfs/dbraw/zinc/88/01/45/545880145.db2.gz AQHJHACYQIPLHI-LBPRGKRZSA-N 2 0 251.334 0.341 10 0 CCAERP CC(C)([NH3+])CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258224 545880702 /nfs/dbraw/zinc/88/07/02/545880702.db2.gz LLTAJPPJIWJGKF-UHFFFAOYSA-N 2 0 251.334 0.483 10 0 CCAERP CC(C)C[NH+]1CCN(C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000055082876 544444279 /nfs/dbraw/zinc/44/42/79/544444279.db2.gz XPPCSJUQOWNLRK-KGLIPLIRSA-N 2 0 255.406 0.766 10 0 CCAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089451031 544513379 /nfs/dbraw/zinc/51/33/79/544513379.db2.gz BSSZMGUYEPBTGK-QWHCGFSZSA-N 2 0 253.390 0.914 10 0 CCAERP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389734 544564966 /nfs/dbraw/zinc/56/49/66/544564966.db2.gz XJRVFXDGUXRCDT-PWSUYJOCSA-N 2 0 291.317 0.835 10 0 CCAERP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157779568 544685633 /nfs/dbraw/zinc/68/56/33/544685633.db2.gz WUHRVTFXNMQHHL-FDYHWXHSSA-N 2 0 267.373 0.106 10 0 CCAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250356572 544922107 /nfs/dbraw/zinc/92/21/07/544922107.db2.gz OVNZKENLXYJEKF-RWMBFGLXSA-N 2 0 253.390 0.914 10 0 CCAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](N3CCOCC3)C2)CC[NH2+]1 ZINC000300137433 544979067 /nfs/dbraw/zinc/97/90/67/544979067.db2.gz IUCFWYKYTUZMOO-ILXRZTDVSA-N 2 0 267.417 0.781 10 0 CCAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175979483 277758780 /nfs/dbraw/zinc/75/87/80/277758780.db2.gz SGGIQISNAMMYAP-LSDHHAIUSA-N 2 0 297.443 0.942 10 0 CCAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121197346 288102115 /nfs/dbraw/zinc/10/21/15/288102115.db2.gz RFMPJRIJQQXLOB-WOPDTQHZSA-N 2 0 277.434 0.244 10 0 CCAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000193310182 279395480 /nfs/dbraw/zinc/39/54/80/279395480.db2.gz STRXJKQNENGLQA-KBPBESRZSA-N 2 0 283.416 0.685 10 0 CCAERP COC[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000261889887 293292210 /nfs/dbraw/zinc/29/22/10/293292210.db2.gz VDGSFOJITFZDHG-YRGRVCCFSA-N 2 0 269.389 0.246 10 0 CCAERP [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333192180 295240429 /nfs/dbraw/zinc/24/04/29/295240429.db2.gz ACQRABYPWLFPKM-CHWSQXEVSA-N 2 0 268.405 0.899 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252560721 295310857 /nfs/dbraw/zinc/31/08/57/295310857.db2.gz VVXYXFDLVXFOGA-RFQIPJPRSA-N 2 0 281.400 0.483 10 0 CCAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262205286 295336665 /nfs/dbraw/zinc/33/66/65/295336665.db2.gz KZSPPYIXQHHUFF-STQMWFEESA-N 2 0 251.374 0.811 10 0 CCAERP [NH3+]C1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000394391674 545088013 /nfs/dbraw/zinc/08/80/13/545088013.db2.gz LAVDHELXGCBIBB-JXQTWKCFSA-N 2 0 280.416 0.010 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334938791 303407768 /nfs/dbraw/zinc/40/77/68/303407768.db2.gz BXTYTZRRDYIKOF-QWHCGFSZSA-N 2 0 280.416 0.899 10 0 CCAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@@H]12 ZINC000333653999 303471635 /nfs/dbraw/zinc/47/16/35/303471635.db2.gz KICUCNGFLVSIJA-YVECIDJPSA-N 2 0 266.389 0.507 10 0 CCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333497341 303837020 /nfs/dbraw/zinc/83/70/20/303837020.db2.gz FAOXLEKJSGVHIV-HIFRSBDPSA-N 2 0 280.416 0.914 10 0 CCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333497343 303950007 /nfs/dbraw/zinc/95/00/07/303950007.db2.gz FAOXLEKJSGVHIV-ZFWWWQNUSA-N 2 0 280.416 0.914 10 0 CCAERP CC(C)(C)OC(=O)N1CCC(C[NH3+])(C[C@@H](O)C[NH3+])CC1 ZINC000536955354 330383039 /nfs/dbraw/zinc/38/30/39/330383039.db2.gz PUSMJLUTMSCAPM-LLVKDONJSA-N 2 0 287.404 0.672 10 0 CCAERP CCCC[C@H]([NH3+])C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645382 521202220 /nfs/dbraw/zinc/20/22/20/521202220.db2.gz QJLYALPAORQSIV-ZDUSSCGKSA-N 2 0 270.421 0.210 10 0 CCAERP C[NH2+]CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000049629957 522012874 /nfs/dbraw/zinc/01/28/74/522012874.db2.gz WWMUFGHRCOJQNK-GFCCVEGCSA-N 2 0 277.434 0.390 10 0 CCAERP CC(C)[NH2+][C@H](CCN1CC[NH+](C(C)C)CC1)C(N)=O ZINC000062449908 519737986 /nfs/dbraw/zinc/73/79/86/519737986.db2.gz MEJMSAZFLHHWDG-CYBMUJFWSA-N 2 0 270.421 0.254 10 0 CCAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCOCC1 ZINC000054627966 521955613 /nfs/dbraw/zinc/95/56/13/521955613.db2.gz SGRHCKOKIDKNMD-GOOCMWNKSA-N 2 0 267.417 0.924 10 0 CCAERP C[NH2+]Cc1cn(CC[N@H+](C)C2CCN(C)CC2)nn1 ZINC000052419854 522142014 /nfs/dbraw/zinc/14/20/14/522142014.db2.gz LWCUFNXDUUTAAA-UHFFFAOYSA-N 2 0 266.393 0.024 10 0 CCAERP CN(CC[C@H]([NH2+]C1CC1)C(N)=O)[C@@H]1CCC[N@H+](C)C1 ZINC000062531736 522934557 /nfs/dbraw/zinc/93/45/57/522934557.db2.gz ICBSOEVMMSZYCH-OLZOCXBDSA-N 2 0 268.405 0.008 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@@H]1[C@H](C)CCC[C@H]1[NH3+] ZINC000061401440 523598628 /nfs/dbraw/zinc/59/86/28/523598628.db2.gz HAUHXUPPVQWKJJ-JHJVBQTASA-N 2 0 271.405 0.444 10 0 CCAERP C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(NN)[nH+]c1 ZINC000051114587 523797441 /nfs/dbraw/zinc/79/74/41/523797441.db2.gz SSONEDJTCIWFPF-NSHDSACASA-N 2 0 263.345 0.581 10 0 CCAERP CC[C@H](C)[NH+]1CCN([C@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000055065867 523958999 /nfs/dbraw/zinc/95/89/99/523958999.db2.gz OPDWEMCZYDXKPZ-IHRRRGAJSA-N 2 0 255.406 0.779 10 0 CCAERP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](CN2CC[NH2+]CC2)C1 ZINC000616569395 545103101 /nfs/dbraw/zinc/10/31/01/545103101.db2.gz SYOMVCHVRCBCME-LBPRGKRZSA-N 2 0 284.404 0.101 10 0 CCAERP [NH3+]Cc1ccc(OCCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061710197 527256385 /nfs/dbraw/zinc/25/63/85/527256385.db2.gz HYHYIDIWWCRPJR-ZDUSSCGKSA-N 2 0 250.342 0.981 10 0 CCAERP CC[NH+]1CCN(CCC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000261906171 535679883 /nfs/dbraw/zinc/67/98/83/535679883.db2.gz WXKUCBNJOLLFFT-GJZGRUSLSA-N 2 0 296.459 0.600 10 0 CCAERP CN1CC[NH2+]C[C@@H]1c1noc(C2CC[NH+](C)CC2)n1 ZINC000263263138 536346344 /nfs/dbraw/zinc/34/63/44/536346344.db2.gz RGENUYFAEPOCME-LLVKDONJSA-N 2 0 265.361 0.455 10 0 CCAERP OCCC[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000310558902 623347948 /nfs/dbraw/zinc/34/79/48/623347948.db2.gz JFEJSPYRTYYCPG-UONOGXRCSA-N 2 0 256.390 0.680 10 0 CCAERP C[NH+](C)C[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000117025184 282136952 /nfs/dbraw/zinc/13/69/52/282136952.db2.gz PJMGDVJTIOGEDL-ZDUSSCGKSA-N 2 0 284.404 0.053 10 0 CCAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000334938286 282266790 /nfs/dbraw/zinc/26/67/90/282266790.db2.gz RJFROVBMVGYKCB-NEPJUHHUSA-N 2 0 268.405 0.863 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117037458 349879170 /nfs/dbraw/zinc/87/91/70/349879170.db2.gz AKBALYQLWPYQGV-UONOGXRCSA-N 2 0 298.431 0.443 10 0 CCAERP [NH3+]C[C@@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000159319325 290723654 /nfs/dbraw/zinc/72/36/54/290723654.db2.gz YIQVTAHGQAQMGT-KGLIPLIRSA-N 2 0 259.353 0.727 10 0 CCAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1C[NH2+]C1 ZINC000262301827 137036679 /nfs/dbraw/zinc/03/66/79/137036679.db2.gz ZUQJEYCFJPXYES-UHFFFAOYSA-N 2 0 274.368 0.634 10 0 CCAERP NC(=[NH2+])NC(=[NH2+])S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000051993 347937482 /nfs/dbraw/zinc/93/74/82/347937482.db2.gz XKKVQHXVMYRNJG-MRVPVSSYSA-N 2 0 291.336 0.470 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054307501 348549607 /nfs/dbraw/zinc/54/96/07/348549607.db2.gz XNMBBGGJRBXMKW-CHWSQXEVSA-N 2 0 265.401 0.977 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000062972143 348673538 /nfs/dbraw/zinc/67/35/38/348673538.db2.gz XIXUCJCUTCEKKV-QWHCGFSZSA-N 2 0 253.390 0.929 10 0 CCAERP Cc1ncsc1C[N@@H+](C)CC1(O)CC[NH2+]CC1 ZINC000104433264 186000204 /nfs/dbraw/zinc/00/02/04/186000204.db2.gz VRLXTKNMAQHNCH-UHFFFAOYSA-N 2 0 255.387 0.998 10 0 CCAERP C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129575652 350217215 /nfs/dbraw/zinc/21/72/15/350217215.db2.gz QPNYCSUBOVIFFK-UHFFFAOYSA-N 2 0 284.448 0.374 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129616199 350218715 /nfs/dbraw/zinc/21/87/15/350218715.db2.gz CVAPVJBIMFCUDB-CQSZACIVSA-N 2 0 298.475 0.763 10 0 CCAERP CCC[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000162085323 350735838 /nfs/dbraw/zinc/73/58/38/350735838.db2.gz LKWHGFLNFOFMMO-OAHLLOKOSA-N 2 0 298.475 0.813 10 0 CCAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000170827838 350865380 /nfs/dbraw/zinc/86/53/80/350865380.db2.gz ZUFLCSXXOGNVHH-CQSZACIVSA-N 2 0 280.416 0.959 10 0 CCAERP C(CN1CC[NH+]2CCC[C@@H]2C1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000172656186 351002995 /nfs/dbraw/zinc/00/29/95/351002995.db2.gz ZQNPSEPPMPRVON-CALCHBBNSA-N 2 0 292.471 0.937 10 0 CCAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000180829376 351293470 /nfs/dbraw/zinc/29/34/70/351293470.db2.gz LOWIVGIDFPKIHY-LSDHHAIUSA-N 2 0 294.443 0.319 10 0 CCAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000182433320 351362895 /nfs/dbraw/zinc/36/28/95/351362895.db2.gz QBZLSMRXVSLAJW-CHWSQXEVSA-N 2 0 251.374 0.824 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188690162 351618384 /nfs/dbraw/zinc/61/83/84/351618384.db2.gz SRZREGDESXZWPX-JTQLQIEISA-N 2 0 277.372 0.270 10 0 CCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000189285815 351664920 /nfs/dbraw/zinc/66/49/20/351664920.db2.gz GEQOSDHXRMKWCD-XQHKEYJVSA-N 2 0 269.389 0.208 10 0 CCAERP COC[C@H](O)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195287779 351908002 /nfs/dbraw/zinc/90/80/02/351908002.db2.gz MKPJFIJMZKNEPR-HZPDHXFCSA-N 2 0 293.411 0.843 10 0 CCAERP O=C([C@H]1COCCN1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000238010616 352294328 /nfs/dbraw/zinc/29/43/28/352294328.db2.gz CDCWWQDOVNCTDE-UONOGXRCSA-N 2 0 281.400 0.452 10 0 CCAERP CC(C)[NH+]1CCC(CCN2C(=O)[C@H]3C[NH2+]C[C@H]3C2=O)CC1 ZINC000257184902 352550129 /nfs/dbraw/zinc/55/01/29/352550129.db2.gz VQJRCMJVKKSXOR-OKILXGFUSA-N 2 0 293.411 0.701 10 0 CCAERP O=C(C[C@H]1C[NH2+]CCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328642937 354244767 /nfs/dbraw/zinc/24/47/67/354244767.db2.gz RFHLHXDOQOHCFQ-YPMHNXCESA-N 2 0 267.373 0.108 10 0 CCAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)C1 ZINC000038043280 283042711 /nfs/dbraw/zinc/04/27/11/283042711.db2.gz QNLPZKKMNSTFCB-ZFWWWQNUSA-N 2 0 294.443 0.271 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1C ZINC000333423789 354758421 /nfs/dbraw/zinc/75/84/21/354758421.db2.gz SXFHTUWEOIXUQK-FRRDWIJNSA-N 2 0 268.405 0.910 10 0 CCAERP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000334939653 354938474 /nfs/dbraw/zinc/93/84/74/354938474.db2.gz UKHVPLCJMHMWGJ-VXGBXAGGSA-N 2 0 252.362 0.228 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335593896 212305572 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CCAERP O=C(C[C@H]1CCC[NH2+]C1)NCC[N@H+]1CC=CCC1 ZINC000392895125 329062389 /nfs/dbraw/zinc/06/23/89/329062389.db2.gz CGTMNAOYDLPHQJ-CYBMUJFWSA-N 2 0 251.374 0.754 10 0 CCAERP C[NH+](C)CCN1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000061641610 521768827 /nfs/dbraw/zinc/76/88/27/521768827.db2.gz BFVUUUNYEVBEGK-UHFFFAOYSA-N 2 0 263.389 0.224 10 0 CCAERP C(CN1CC[NH+](C2CC2)CC1)[NH2+]C1CCOCC1 ZINC000062767882 518388372 /nfs/dbraw/zinc/38/83/72/518388372.db2.gz SFGFXARGCGLVEO-UHFFFAOYSA-N 2 0 253.390 0.535 10 0 CCAERP CC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](CC)CC2)O1 ZINC000052422488 519952584 /nfs/dbraw/zinc/95/25/84/519952584.db2.gz MWERYMWATXSYJY-KBPBESRZSA-N 2 0 255.406 0.781 10 0 CCAERP CC[NH2+]C[C@H](C(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655017 519957451 /nfs/dbraw/zinc/95/74/51/519957451.db2.gz PTZNBVYTHWZPCY-OAHLLOKOSA-N 2 0 270.465 0.800 10 0 CCAERP CC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](CC)CC2)O1 ZINC000052422490 519979769 /nfs/dbraw/zinc/97/97/69/519979769.db2.gz MWERYMWATXSYJY-KGLIPLIRSA-N 2 0 255.406 0.781 10 0 CCAERP C[NH+](C)CC(C)(C)CNS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049640710 524046296 /nfs/dbraw/zinc/04/62/96/524046296.db2.gz SRMBGWVJPGHPDQ-NSHDSACASA-N 2 0 277.434 0.246 10 0 CCAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000157874118 525258445 /nfs/dbraw/zinc/25/84/45/525258445.db2.gz GQJWKDCJRLGSNV-FVCCEPFGSA-N 2 0 253.390 0.960 10 0 CCAERP CCCCOC[C@@H](O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312959844 625696623 /nfs/dbraw/zinc/69/66/23/625696623.db2.gz MWHYNWQDXPKILI-CABCVRRESA-N 2 0 285.432 0.144 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668119 649708843 /nfs/dbraw/zinc/70/88/43/649708843.db2.gz JPEIBLIDBMJXNY-MJBXVCDLSA-N 2 0 281.400 0.356 10 0 CCAERP C[C@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000601325840 362221545 /nfs/dbraw/zinc/22/15/45/362221545.db2.gz GCFXVLROLHRBDD-UWVGGRQHSA-N 2 0 270.377 0.137 10 0 CCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000258328325 137005812 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C[NH+]1CCN(CCCNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136209653 350418770 /nfs/dbraw/zinc/41/87/70/350418770.db2.gz XHNILSXKWNWITN-HNNXBMFYSA-N 2 0 282.432 0.272 10 0 CCAERP O=C(NCCN1CCc2ccccc2C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188720740 351620251 /nfs/dbraw/zinc/62/02/51/351620251.db2.gz BYPJXQXBILYOJT-LSDHHAIUSA-N 2 0 291.370 0.861 10 0 CCAERP COC1(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]CC1 ZINC000193523658 351831290 /nfs/dbraw/zinc/83/12/90/351831290.db2.gz MTIOUAMJGOWELR-WDEREUQCSA-N 2 0 255.362 0.012 10 0 CCAERP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000312824595 354211089 /nfs/dbraw/zinc/21/10/89/354211089.db2.gz UBHQBKYPBKUOHC-KKUMJFAQSA-N 2 0 285.432 0.094 10 0 CCAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1C ZINC000333423795 354758451 /nfs/dbraw/zinc/75/84/51/354758451.db2.gz SXFHTUWEOIXUQK-JHJVBQTASA-N 2 0 268.405 0.910 10 0 CCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333836288 354803046 /nfs/dbraw/zinc/80/30/46/354803046.db2.gz UHOUIGVEOMYNRB-STQMWFEESA-N 2 0 280.416 0.912 10 0 CCAERP CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000334451382 354868727 /nfs/dbraw/zinc/86/87/27/354868727.db2.gz VRRIXMBVHABUSF-CQSZACIVSA-N 2 0 280.416 0.960 10 0 CCAERP C[NH+](C)C[C@@H]1CN(C(=O)c2conc2C(C)(C)[NH3+])CCO1 ZINC000565214914 291361425 /nfs/dbraw/zinc/36/14/25/291361425.db2.gz QKWPCENHMCGBAI-SNVBAGLBSA-N 2 0 296.371 0.271 10 0 CCAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000335536809 212234709 /nfs/dbraw/zinc/23/47/09/212234709.db2.gz SGUVRCOTUPRVGL-OCCSQVGLSA-N 2 0 265.401 0.929 10 0 CCAERP O[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000628467022 369271180 /nfs/dbraw/zinc/27/11/80/369271180.db2.gz MRYHELKQBVKLCE-GJZGRUSLSA-N 2 0 277.368 0.790 10 0 CCAERP O=C(NCCC[NH+]1CCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764501 372210603 /nfs/dbraw/zinc/21/06/03/372210603.db2.gz UTBZPSFUXSDSFS-ZFWWWQNUSA-N 2 0 265.401 0.978 10 0 CCAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765425 372211883 /nfs/dbraw/zinc/21/18/83/372211883.db2.gz SDCANADAWHDWRX-OBJOEFQTSA-N 2 0 251.374 0.444 10 0 CCAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765666 372212373 /nfs/dbraw/zinc/21/23/73/372212373.db2.gz YIQLDZRJLMRVNT-XEZPLFJOSA-N 2 0 277.412 0.977 10 0 CCAERP C[C@H](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[NH+](C)C ZINC000634771593 372222025 /nfs/dbraw/zinc/22/20/25/372222025.db2.gz AINOVMBOCRMBGR-DYEKYZERSA-N 2 0 253.390 0.833 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638079028 374637787 /nfs/dbraw/zinc/63/77/87/374637787.db2.gz JQJHAKMPEZTXBM-JSGCOSHPSA-N 2 0 269.389 0.342 10 0 CCAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000638072108 374624188 /nfs/dbraw/zinc/62/41/88/374624188.db2.gz QFQXCFRQBDNKMP-IPYPFGDCSA-N 2 0 285.432 0.846 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000334925609 207304233 /nfs/dbraw/zinc/30/42/33/207304233.db2.gz NFBWGILJGQATED-NSHDSACASA-N 2 0 254.378 0.651 10 0 CCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111866931 285022695 /nfs/dbraw/zinc/02/26/95/285022695.db2.gz POSPLXCBYBZDOF-KGLIPLIRSA-N 2 0 298.431 0.443 10 0 CCAERP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335593894 285191108 /nfs/dbraw/zinc/19/11/08/285191108.db2.gz OKMCTRVDBSRPLJ-DGCLKSJQSA-N 2 0 253.390 0.975 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000194130685 389088676 /nfs/dbraw/zinc/08/86/76/389088676.db2.gz DQPPNSCMHRCFDU-CYBMUJFWSA-N 2 0 268.405 0.864 10 0 CCAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227457041 389150925 /nfs/dbraw/zinc/15/09/25/389150925.db2.gz PLVDYYUQKUDLMA-CYDGBPFRSA-N 2 0 251.374 0.680 10 0 CCAERP COC[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)C1CC1 ZINC000151350254 389276958 /nfs/dbraw/zinc/27/69/58/389276958.db2.gz HFTHFAARUYHEQW-KGLIPLIRSA-N 2 0 256.390 0.848 10 0 CCAERP CC(C)[N@H+](C)CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262332577 389285200 /nfs/dbraw/zinc/28/52/00/389285200.db2.gz FPEHOKMTLRNWQH-UHFFFAOYSA-N 2 0 294.403 0.561 10 0 CCAERP CC1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)CC1 ZINC000262484388 389287067 /nfs/dbraw/zinc/28/70/67/389287067.db2.gz YMMIUNXZZAIFJS-CVSAEHQPSA-N 2 0 295.427 0.432 10 0 CCAERP COC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000367688337 389346749 /nfs/dbraw/zinc/34/67/49/389346749.db2.gz MXBQUJQVSWABBR-QWHCGFSZSA-N 2 0 269.389 0.437 10 0 CCAERP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333502985 389415363 /nfs/dbraw/zinc/41/53/63/389415363.db2.gz FOJFWKCKNSPXBT-NWDGAFQWSA-N 2 0 254.378 0.522 10 0 CCAERP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000333640656 389437522 /nfs/dbraw/zinc/43/75/22/389437522.db2.gz IDQVGDPIUYPUHT-WOPDTQHZSA-N 2 0 254.378 0.507 10 0 CCAERP CC(C)[N@@H+](C)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176458304 389558530 /nfs/dbraw/zinc/55/85/30/389558530.db2.gz IDEAVYFTWDCTKZ-AWEZNQCLSA-N 2 0 299.459 0.878 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1C ZINC000178774482 389621740 /nfs/dbraw/zinc/62/17/40/389621740.db2.gz GFTOBRXBMIBOPG-GHMZBOCLSA-N 2 0 257.378 0.027 10 0 CCAERP COCC1(CNc2cc[nH+]cc2C(N)=O)CC[NH2+]CC1 ZINC000398997870 389787780 /nfs/dbraw/zinc/78/77/80/389787780.db2.gz QTIZNUWDIPCDJF-UHFFFAOYSA-N 2 0 278.356 0.031 10 0 CCAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649285930 390550311 /nfs/dbraw/zinc/55/03/11/390550311.db2.gz AZYWBGZHAGZIKL-OLZOCXBDSA-N 2 0 269.389 0.165 10 0 CCAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262430606 131220036 /nfs/dbraw/zinc/22/00/36/131220036.db2.gz RPPSXGBUOUKSNK-JSGCOSHPSA-N 2 0 277.368 0.718 10 0 CCAERP O=C(CC[C@H]1CCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392937098 397513543 /nfs/dbraw/zinc/51/35/43/397513543.db2.gz XOPINZRVFYPHKV-CYBMUJFWSA-N 2 0 251.374 0.897 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392816902 397513138 /nfs/dbraw/zinc/51/31/38/397513138.db2.gz MRXGOEZSUADRHK-STQMWFEESA-N 2 0 251.374 0.753 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333627555 297538579 /nfs/dbraw/zinc/53/85/79/297538579.db2.gz GBTATGROTNDKFH-USZNOCQGSA-N 2 0 252.362 0.130 10 0 CCAERP CCO[C@@H]1CN(Cc2cnn(C)c2C)C[C@H]1C[NH3+] ZINC000405238902 411800450 /nfs/dbraw/zinc/80/04/50/411800450.db2.gz ANJOUGNJTMSQTG-DGCLKSJQSA-N 2 0 252.362 0.524 10 0 CCAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[NH+]1CCCC1 ZINC000653347503 412292964 /nfs/dbraw/zinc/29/29/64/412292964.db2.gz DWVHKXPXUIJNHV-HBNTYKKESA-N 2 0 293.333 0.985 10 0 CCAERP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000662260397 414701214 /nfs/dbraw/zinc/70/12/14/414701214.db2.gz MFJZJCVCVGUSCE-UONOGXRCSA-N 2 0 265.401 0.678 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662593577 414731248 /nfs/dbraw/zinc/73/12/48/414731248.db2.gz PLBLPZHLGGNBLN-RYUDHWBXSA-N 2 0 253.390 0.833 10 0 CCAERP C[NH+](C)CC(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263442 545883504 /nfs/dbraw/zinc/88/35/04/545883504.db2.gz HANYALCKWOLUQG-KCQAQPDRSA-N 2 0 265.401 0.929 10 0 CCAERP COCC[NH+]1CCN([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264458 545884311 /nfs/dbraw/zinc/88/43/11/545884311.db2.gz PFUIALXAPKMLLD-KBPBESRZSA-N 2 0 283.416 0.147 10 0 CCAERP C[NH+](C)CCn1nnc([C@H]2CCCCO2)c1C[NH3+] ZINC000725269277 545885967 /nfs/dbraw/zinc/88/59/67/545885967.db2.gz OANLNFSXVSBUID-LLVKDONJSA-N 2 0 253.350 0.540 10 0 CCAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000089460657 544514074 /nfs/dbraw/zinc/51/40/74/544514074.db2.gz FOAKHTCPBLIAJB-QWHCGFSZSA-N 2 0 253.390 0.964 10 0 CCAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000136401767 544639216 /nfs/dbraw/zinc/63/92/16/544639216.db2.gz GBFUTRSELOMNHT-OAHLLOKOSA-N 2 0 297.443 0.931 10 0 CCAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000136364175 544639351 /nfs/dbraw/zinc/63/93/51/544639351.db2.gz IPFWZTKWKRDOLD-AAEUAGOBSA-N 2 0 253.390 0.960 10 0 CCAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000232801372 544865569 /nfs/dbraw/zinc/86/55/69/544865569.db2.gz JQHXOABGMHNMFP-ZIAGYGMSSA-N 2 0 295.427 0.698 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000251571716 544927648 /nfs/dbraw/zinc/92/76/48/544927648.db2.gz CAOVLDRCFNHOIS-NEPJUHHUSA-N 2 0 251.374 0.953 10 0 CCAERP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)[N@H+](C)C1 ZINC000333881902 545044077 /nfs/dbraw/zinc/04/40/77/545044077.db2.gz WIFNJDWYQJEZPB-XDQVBPFNSA-N 2 0 298.431 0.487 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000333624653 274933248 /nfs/dbraw/zinc/93/32/48/274933248.db2.gz AJBAHCDOMDEQJE-GHMZBOCLSA-N 2 0 285.355 0.121 10 0 CCAERP CC1(C)CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000334262121 276122147 /nfs/dbraw/zinc/12/21/47/276122147.db2.gz YYSLPDUAHZIWCP-MNOVXSKESA-N 2 0 271.430 0.667 10 0 CCAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000335946738 277079624 /nfs/dbraw/zinc/07/96/24/277079624.db2.gz LCQACSBRXICTJN-KBPBESRZSA-N 2 0 280.416 0.960 10 0 CCAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000335939212 277133356 /nfs/dbraw/zinc/13/33/56/277133356.db2.gz TZVPGAUEWCVVRF-OLZOCXBDSA-N 2 0 251.374 0.635 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336811820 288314027 /nfs/dbraw/zinc/31/40/27/288314027.db2.gz OPUWDWQQSVHQNH-SNPRPXQTSA-N 2 0 267.417 0.610 10 0 CCAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333652748 289779036 /nfs/dbraw/zinc/77/90/36/289779036.db2.gz KBPAZJOKYIHPCW-XQQFMLRXSA-N 2 0 268.405 0.897 10 0 CCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000333658654 290152106 /nfs/dbraw/zinc/15/21/06/290152106.db2.gz LEMSJNUYKULFTM-SYQHCUMBSA-N 2 0 280.416 0.992 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334921716 297102747 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CCC[NH+]1CCC(NC(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000164398083 519845935 /nfs/dbraw/zinc/84/59/35/519845935.db2.gz KEITXAJJASKHMD-NSHDSACASA-N 2 0 253.390 0.833 10 0 CCAERP CC[NH2+]CCC(=O)N1CCC[N@H+](CCOC)CC1 ZINC000061296709 519915684 /nfs/dbraw/zinc/91/56/84/519915684.db2.gz YOXIAPBFGVKQRU-UHFFFAOYSA-N 2 0 257.378 0.167 10 0 CCAERP CC[NH2+][C@H](C)CCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643820 520171678 /nfs/dbraw/zinc/17/16/78/520171678.db2.gz JYLVJLJGKMNXJQ-OAHLLOKOSA-N 3 0 270.465 0.944 10 0 CCAERP C[NH2+][C@](C)(CCN1CC[NH+](CC(C)C)CC1)C(N)=O ZINC000055081460 522515524 /nfs/dbraw/zinc/51/55/24/522515524.db2.gz CEGJSPGEGMEMLH-CQSZACIVSA-N 2 0 270.421 0.114 10 0 CCAERP O[C@H](C[NH2+]C1CC1)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675080848 545321341 /nfs/dbraw/zinc/32/13/41/545321341.db2.gz WTPNHWAUQMWICP-ASEORRQLSA-N 2 0 254.374 0.647 10 0 CCAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C[C@@H]1C ZINC000263302117 535563942 /nfs/dbraw/zinc/56/39/42/535563942.db2.gz XEIZPPAAVAZDNF-QSLWVIQJSA-N 2 0 284.400 0.524 10 0 CCAERP CC[C@H]1CN(C(=O)CCCCC[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000155678220 615895207 /nfs/dbraw/zinc/89/52/07/615895207.db2.gz UETMPBQLPZRBSF-KGLIPLIRSA-N 2 0 285.432 0.809 10 0 CCAERP OCCC[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000310558901 623347665 /nfs/dbraw/zinc/34/76/65/623347665.db2.gz JFEJSPYRTYYCPG-KGLIPLIRSA-N 2 0 256.390 0.680 10 0 CCAERP C[NH+](C)CCCNC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042929 282086544 /nfs/dbraw/zinc/08/65/44/282086544.db2.gz ACNHUEKTWKYQGY-CQSZACIVSA-N 2 0 282.432 0.271 10 0 CCAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252560719 137003097 /nfs/dbraw/zinc/00/30/97/137003097.db2.gz VVXYXFDLVXFOGA-CRWXNKLISA-N 2 0 281.400 0.483 10 0 CCAERP O=C(C1C[NH2+]C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000263271719 137062746 /nfs/dbraw/zinc/06/27/46/137062746.db2.gz IEOYRYQZQBZQGE-UHFFFAOYSA-N 2 0 251.374 0.683 10 0 CCAERP Cc1ccc(C[NH2+]CCN(CC[NH3+])CC[NH3+])cc1 ZINC000033364593 348145489 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C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1C[NH2+]C1 ZINC000164286833 350778046 /nfs/dbraw/zinc/77/80/46/350778046.db2.gz CIKPAWFOBCLIAW-TZMCWYRMSA-N 2 0 265.401 0.929 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167399587 350809585 /nfs/dbraw/zinc/80/95/85/350809585.db2.gz KTMGLEJSTYDNPC-LSDHHAIUSA-N 2 0 295.427 0.699 10 0 CCAERP C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000169791317 350840274 /nfs/dbraw/zinc/84/02/74/350840274.db2.gz VRIMXQYLMRSQJQ-ZDUSSCGKSA-N 2 0 268.401 0.802 10 0 CCAERP O=C(NCC[C@H]1CCC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188185455 351578849 /nfs/dbraw/zinc/57/88/49/351578849.db2.gz VDGWXDPSEHJNSI-SNVBAGLBSA-N 2 0 277.372 0.175 10 0 CCAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227801978 352059116 /nfs/dbraw/zinc/05/91/16/352059116.db2.gz DNNIFKSZFODQCB-CHWSQXEVSA-N 2 0 269.389 0.295 10 0 CCAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227797398 352059167 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CCAERP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000333399240 297277895 /nfs/dbraw/zinc/27/78/95/297277895.db2.gz PSKCIDBPVRXEMO-GRYCIOLGSA-N 2 0 266.389 0.520 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2CC[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000333919897 283276882 /nfs/dbraw/zinc/27/68/82/283276882.db2.gz PMRZURYDHKAJQK-AWEZNQCLSA-N 2 0 285.355 0.265 10 0 CCAERP [NH3+]CCC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000409426383 358112142 /nfs/dbraw/zinc/11/21/42/358112142.db2.gz HWCAFXXKLBEFBR-UHFFFAOYSA-N 2 0 257.403 0.375 10 0 CCAERP C[NH+](C)CCOCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300424754 200897284 /nfs/dbraw/zinc/89/72/84/200897284.db2.gz IXFFUMZHVFGCDN-YNEHKIRRSA-N 2 0 256.390 0.968 10 0 CCAERP CC(=O)Nc1ccccc1[C@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616602538 365382519 /nfs/dbraw/zinc/38/25/19/365382519.db2.gz LDUKHGXGDSZXFO-CQSZACIVSA-N 2 0 262.357 0.550 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@H](c2ccc3ccnnc3c2)C1 ZINC000616634162 365393380 /nfs/dbraw/zinc/39/33/80/365393380.db2.gz MVPQPPNKGNXYTP-AWEZNQCLSA-N 2 0 257.341 0.535 10 0 CCAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cnnc2ccccc21 ZINC000616636117 365395509 /nfs/dbraw/zinc/39/55/09/365395509.db2.gz KMQNWXBLYLUBKQ-CQSZACIVSA-N 2 0 257.341 0.535 10 0 CCAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765665 372212781 /nfs/dbraw/zinc/21/27/81/372212781.db2.gz YIQLDZRJLMRVNT-WWGRRREGSA-N 2 0 277.412 0.977 10 0 CCAERP CC[NH+]1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000333235570 205140377 /nfs/dbraw/zinc/14/03/77/205140377.db2.gz ABQOFANXXVJYJV-UHFFFAOYSA-N 2 0 292.431 0.846 10 0 CCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333798056 300002755 /nfs/dbraw/zinc/00/27/55/300002755.db2.gz HINNZLQLLYJUDH-QWHCGFSZSA-N 2 0 280.416 0.770 10 0 CCAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247570035 285201472 /nfs/dbraw/zinc/20/14/72/285201472.db2.gz WLBONNFTKWHGRQ-KBPBESRZSA-N 2 0 283.416 0.650 10 0 CCAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040855285 388858297 /nfs/dbraw/zinc/85/82/97/388858297.db2.gz JCHONGNLCVNPRD-KGLIPLIRSA-N 2 0 277.368 0.087 10 0 CCAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000311652279 389104475 /nfs/dbraw/zinc/10/44/75/389104475.db2.gz FASMYXHSYMOIQV-YUTCNCBUSA-N 2 0 265.401 0.927 10 0 CCAERP COCC[N@H+](C)C[C@H](O)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000313114005 389111342 /nfs/dbraw/zinc/11/13/42/389111342.db2.gz OOJXXSJUTAOCEP-GJZGRUSLSA-N 2 0 285.432 0.096 10 0 CCAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000343711001 389270605 /nfs/dbraw/zinc/27/06/05/389270605.db2.gz KKFTYOZCCJCTTG-RDBSUJKOSA-N 2 0 255.406 0.373 10 0 CCAERP Nc1nc(-n2cccn2)cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC000333502185 389415425 /nfs/dbraw/zinc/41/54/25/389415425.db2.gz HWCSXTYRSXNZOM-TUAOUCFPSA-N 2 0 299.382 0.638 10 0 CCAERP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333919019 389448944 /nfs/dbraw/zinc/44/89/44/389448944.db2.gz ORGOIPUJECLTHJ-WUHRBBMRSA-N 2 0 266.389 0.378 10 0 CCAERP CC[NH+](CC)CCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649276666 390543896 /nfs/dbraw/zinc/54/38/96/390543896.db2.gz YQCKTKTZAWJRSY-LBPRGKRZSA-N 2 0 257.378 0.071 10 0 CCAERP CC[NH+](CC)CCCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649276659 390544824 /nfs/dbraw/zinc/54/48/24/390544824.db2.gz WZFZPDQKSHIQPD-AWEZNQCLSA-N 2 0 271.405 0.603 10 0 CCAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)CC[C@H]21 ZINC000643793059 390553068 /nfs/dbraw/zinc/55/30/68/390553068.db2.gz MJIRXWNUTYQEEL-HZSPNIEDSA-N 2 0 281.400 0.165 10 0 CCAERP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649297736 390557368 /nfs/dbraw/zinc/55/73/68/390557368.db2.gz UKFHBEFTVISGQN-NFAWXSAZSA-N 2 0 281.400 0.498 10 0 CCAERP [NH2+]=C(CN1CC[NH+](C2CCSCC2)CC1)NO ZINC000409430196 397524174 /nfs/dbraw/zinc/52/41/74/397524174.db2.gz PZUWTPLWGQCNNX-UHFFFAOYSA-N 2 0 258.391 0.456 10 0 CCAERP C[NH+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616571142 411841383 /nfs/dbraw/zinc/84/13/83/411841383.db2.gz JTGDZABKJAFEPB-YUMQZZPRSA-N 2 0 253.268 0.205 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105223 412220534 /nfs/dbraw/zinc/22/05/34/412220534.db2.gz LNNNYDXEVPNSLU-HBNTYKKESA-N 2 0 293.333 0.985 10 0 CCAERP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC[N@@H+]1C ZINC000653119398 412230091 /nfs/dbraw/zinc/23/00/91/412230091.db2.gz IDHHYKVGKDNVSK-LNFKQOIKSA-N 2 0 293.333 0.983 10 0 CCAERP C[NH+](C)CCCNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679349 172349817 /nfs/dbraw/zinc/34/98/17/172349817.db2.gz WNMSIGRFMIZVMV-UHFFFAOYSA-N 2 0 291.442 0.479 10 0 CCAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCNS(C)(=O)=O)C1 ZINC000037221743 173041650 /nfs/dbraw/zinc/04/16/50/173041650.db2.gz WIQUDLOLLNVAEC-OLZOCXBDSA-N 2 0 291.461 0.636 10 0 CCAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000037824921 173779254 /nfs/dbraw/zinc/77/92/54/173779254.db2.gz MWDUTXRJPVPYCB-YPMHNXCESA-N 2 0 271.405 0.275 10 0 CCAERP COC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589750 414730866 /nfs/dbraw/zinc/73/08/66/414730866.db2.gz DCHPPJJBPRIUAR-MNOVXSKESA-N 2 0 257.378 0.197 10 0 CCAERP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CS(=O)(=O)N2CC ZINC000725256558 545880778 /nfs/dbraw/zinc/88/07/78/545880778.db2.gz URNOAJOPOLQMNQ-LLVKDONJSA-N 2 0 275.418 0.224 10 0 CCAERP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000089449439 544512857 /nfs/dbraw/zinc/51/28/57/544512857.db2.gz AGXDUPRWTIDQDS-WCQYABFASA-N 2 0 253.390 0.914 10 0 CCAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089451033 544512867 /nfs/dbraw/zinc/51/28/67/544512867.db2.gz BSSZMGUYEPBTGK-STQMWFEESA-N 2 0 253.390 0.914 10 0 CCAERP CC1(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[NH2+]C1 ZINC000098061730 544556294 /nfs/dbraw/zinc/55/62/94/544556294.db2.gz MXULQLGIDKZFMF-LBPRGKRZSA-N 2 0 267.373 0.062 10 0 CCAERP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250200858 544922176 /nfs/dbraw/zinc/92/21/76/544922176.db2.gz BJRCVJBQMOESAL-RRFJBIMHSA-N 2 0 267.417 0.924 10 0 CCAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252587871 544929694 /nfs/dbraw/zinc/92/96/94/544929694.db2.gz AGMANHAXDRNZEA-RWMBFGLXSA-N 2 0 251.374 0.681 10 0 CCAERP O=C(NC[C@H]1CC[NH2+]C1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000333729405 545042510 /nfs/dbraw/zinc/04/25/10/545042510.db2.gz HQDUGFIEVSWYJK-GXTWGEPZSA-N 2 0 280.416 0.912 10 0 CCAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000311020636 545012023 /nfs/dbraw/zinc/01/20/23/545012023.db2.gz LPIDAJFRYRQWPZ-UONOGXRCSA-N 2 0 258.406 0.924 10 0 CCAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333502178 545039837 /nfs/dbraw/zinc/03/98/37/545039837.db2.gz FNUODIZDWOJNOX-OLZOCXBDSA-N 2 0 280.416 0.912 10 0 CCAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000193310168 278305949 /nfs/dbraw/zinc/30/59/49/278305949.db2.gz STRXJKQNENGLQA-ZIAGYGMSSA-N 2 0 283.416 0.685 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000311688564 279328095 /nfs/dbraw/zinc/32/80/95/279328095.db2.gz KIWWWDQFVBXETR-LSDHHAIUSA-N 2 0 269.433 0.858 10 0 CCAERP CC[NH+]1CCN([C@H]2CCN(CC[NH2+]C(C)C)C2)CC1 ZINC000191488413 279372343 /nfs/dbraw/zinc/37/23/43/279372343.db2.gz RKSRWCZDOVOCTR-HNNXBMFYSA-N 2 0 268.449 0.696 10 0 CCAERP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000095087956 279869981 /nfs/dbraw/zinc/86/99/81/279869981.db2.gz NYIHPFDDJLVRDJ-GFCCVEGCSA-N 2 0 253.390 0.914 10 0 CCAERP CC(C)[NH+]1CCC(NC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000168176426 327243358 /nfs/dbraw/zinc/24/33/58/327243358.db2.gz MIFPWQMSAWBBOC-UHFFFAOYSA-N 2 0 296.459 0.659 10 0 CCAERP CC(C)[NH2+]Cc1cn(CCOCC[NH+](C)C)nn1 ZINC000052669701 519728784 /nfs/dbraw/zinc/72/87/84/519728784.db2.gz JKVJKOIPKOAESJ-UHFFFAOYSA-N 2 0 255.366 0.354 10 0 CCAERP CCC[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052422011 519858702 /nfs/dbraw/zinc/85/87/02/519858702.db2.gz RBQLVLNPMOHUEG-UONOGXRCSA-N 2 0 255.406 0.781 10 0 CCAERP CCCN(CC[C@H]([NH2+]C(C)C)C(N)=O)CC[NH+](C)C ZINC000062527949 521670592 /nfs/dbraw/zinc/67/05/92/521670592.db2.gz KTCVRMALZPLJIL-ZDUSSCGKSA-N 2 0 272.437 0.502 10 0 CCAERP CC(C)C[NH+]1CCN(CC[NH2+]CCN(C)C)CC1 ZINC000055075788 519725993 /nfs/dbraw/zinc/72/59/93/519725993.db2.gz VSWVREROXIQQPJ-UHFFFAOYSA-N 2 0 256.438 0.411 10 0 CCAERP CC[NH2+][C@H](C)CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061271381 520165796 /nfs/dbraw/zinc/16/57/96/520165796.db2.gz LYQHRUMIRLIOIZ-VXGBXAGGSA-N 2 0 253.390 0.975 10 0 CCAERP CCCO[C@H]1CCC[N@H+](CC2(O)CC[NH2+]CC2)C1 ZINC000051016147 520286391 /nfs/dbraw/zinc/28/63/91/520286391.db2.gz SCJJCDYDMXKNDX-ZDUSSCGKSA-N 2 0 256.390 0.992 10 0 CCAERP CCO[C@H]1CCC[N@H+](CCn2cc(C[NH2+]C)nn2)C1 ZINC000052372214 520527878 /nfs/dbraw/zinc/52/78/78/520527878.db2.gz PYXOVPVVKNTUHL-ZDUSSCGKSA-N 2 0 267.377 0.498 10 0 CCAERP C[NH+](C)CCN1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000061644455 521764771 /nfs/dbraw/zinc/76/47/71/521764771.db2.gz ZSLVCUPGRKTKJD-CQSZACIVSA-N 2 0 254.422 0.308 10 0 CCAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055063659 522128866 /nfs/dbraw/zinc/12/88/66/522128866.db2.gz RTBZPJGLMSAFAS-OCCSQVGLSA-N 2 0 265.405 0.836 10 0 CCAERP CC[C@@H]([NH2+]C)[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061643856 522805381 /nfs/dbraw/zinc/80/53/81/522805381.db2.gz VYSDONYXKMJSNO-UONOGXRCSA-N 2 0 256.438 0.552 10 0 CCAERP CC[C@H](C)[NH+]1CCN(C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000055072056 523955232 /nfs/dbraw/zinc/95/52/32/523955232.db2.gz GJAQNJTUDJMEGY-KBPBESRZSA-N 2 0 255.406 0.768 10 0 CCAERP C[C@@H]([NH3+])[C@H](N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642417 525017184 /nfs/dbraw/zinc/01/71/84/525017184.db2.gz GRTSNEREEKBFJN-KGLIPLIRSA-N 2 0 270.465 0.928 10 0 CCAERP C[NH2+]CCC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000262329224 536443468 /nfs/dbraw/zinc/44/34/68/536443468.db2.gz GLPLQVGGKZGOIY-LBPRGKRZSA-N 2 0 269.389 0.308 10 0 CCAERP COC(C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)OC ZINC000136761518 616314648 /nfs/dbraw/zinc/31/46/48/616314648.db2.gz YWFYYNBHGOMGNK-LBPRGKRZSA-N 2 0 274.405 0.630 10 0 CCAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000311251096 623684207 /nfs/dbraw/zinc/68/42/07/623684207.db2.gz FAMHNKYFGYCFEU-GJZGRUSLSA-N 2 0 269.433 0.859 10 0 CCAERP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251687428 624726701 /nfs/dbraw/zinc/72/67/01/624726701.db2.gz IEEPUJQHIIYNCI-AGIUHOORSA-N 2 0 269.389 0.435 10 0 CCAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333627553 631715062 /nfs/dbraw/zinc/71/50/62/631715062.db2.gz GBTATGROTNDKFH-KKOKHZNYSA-N 2 0 252.362 0.130 10 0 CCAERP C[C@]1(C[N@@H+]2CC[C@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000104168508 632370579 /nfs/dbraw/zinc/37/05/79/632370579.db2.gz MWEUOTKTPUWXCS-GJZGRUSLSA-N 2 0 267.417 0.783 10 0 CCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000111866929 349777333 /nfs/dbraw/zinc/77/73/33/349777333.db2.gz POSPLXCBYBZDOF-ZIAGYGMSSA-N 2 0 298.431 0.443 10 0 CCAERP CCCCNC(=O)NC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326129 362222436 /nfs/dbraw/zinc/22/24/36/362222436.db2.gz KHEDJZLAXYLHST-MNOVXSKESA-N 2 0 270.377 0.139 10 0 CCAERP O=C(COC1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000113705054 349818659 /nfs/dbraw/zinc/81/86/59/349818659.db2.gz XAKTUZUUDBUIPT-CYBMUJFWSA-N 2 0 281.400 0.452 10 0 CCAERP C[C@H]([NH3+])C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1 ZINC000117140621 349880435 /nfs/dbraw/zinc/88/04/35/349880435.db2.gz ZUIWNEPLSLIYCV-NSHDSACASA-N 2 0 279.388 1.000 10 0 CCAERP COC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262315253 137036929 /nfs/dbraw/zinc/03/69/29/137036929.db2.gz DINDGQYCQCOMOL-MELADBBJSA-N 2 0 295.358 0.361 10 0 CCAERP C[C@H]1C[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000262333591 137038990 /nfs/dbraw/zinc/03/89/90/137038990.db2.gz FFRWHEROVNURFX-KKUMJFAQSA-N 2 0 297.443 0.728 10 0 CCAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263283157 137062492 /nfs/dbraw/zinc/06/24/92/137062492.db2.gz UOJBZBFJTPDHDP-IWCQGFGOSA-N 2 0 289.423 0.992 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291532 348548128 /nfs/dbraw/zinc/54/81/28/348548128.db2.gz CPRXTYZRPPWGKS-STQMWFEESA-N 2 0 253.390 0.977 10 0 CCAERP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054309012 348549357 /nfs/dbraw/zinc/54/93/57/348549357.db2.gz HFTSXYXDUAXLAB-VXGBXAGGSA-N 2 0 251.374 0.729 10 0 CCAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000104209637 185932103 /nfs/dbraw/zinc/93/21/03/185932103.db2.gz YYZZWTVLRZVCQQ-DGCLKSJQSA-N 2 0 253.390 0.785 10 0 CCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129588591 350218055 /nfs/dbraw/zinc/21/80/55/350218055.db2.gz NZVCJGFIRNCBTP-CYBMUJFWSA-N 2 0 282.432 0.271 10 0 CCAERP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[NH+](C)C ZINC000162014405 350733561 /nfs/dbraw/zinc/73/35/61/350733561.db2.gz ILHMAHVAUFXMES-KBPBESRZSA-N 2 0 285.432 0.944 10 0 CCAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000182433337 351363013 /nfs/dbraw/zinc/36/30/13/351363013.db2.gz QBZLSMRXVSLAJW-QWHCGFSZSA-N 2 0 251.374 0.824 10 0 CCAERP O=C(C[C@@H]1CCC[NH2+]1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190743466 351733404 /nfs/dbraw/zinc/73/34/04/351733404.db2.gz MEBAAXRVPRMDHU-NWDGAFQWSA-N 2 0 251.374 0.872 10 0 CCAERP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000237168554 352249552 /nfs/dbraw/zinc/24/95/52/352249552.db2.gz KRKRRKUIZRMMSU-ZIAGYGMSSA-N 2 0 283.416 0.413 10 0 CCAERP [NH3+][C@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)C1CC1 ZINC000328655437 354246401 /nfs/dbraw/zinc/24/64/01/354246401.db2.gz YKLJOCADAJLRCB-DGCLKSJQSA-N 2 0 251.374 0.857 10 0 CCAERP C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000333632957 354767140 /nfs/dbraw/zinc/76/71/40/354767140.db2.gz GXPCUXGXRNOVLR-JHJVBQTASA-N 2 0 268.405 0.755 10 0 CCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333798055 354796067 /nfs/dbraw/zinc/79/60/67/354796067.db2.gz HINNZLQLLYJUDH-OLZOCXBDSA-N 2 0 280.416 0.770 10 0 CCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000335184707 354981092 /nfs/dbraw/zinc/98/10/92/354981092.db2.gz PAJLDPNAOGYZFI-LBPRGKRZSA-N 2 0 266.389 0.618 10 0 CCAERP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000365706639 357165273 /nfs/dbraw/zinc/16/52/73/357165273.db2.gz FLZPPQJWNGBMEC-ZIAGYGMSSA-N 2 0 283.416 0.827 10 0 CCAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404883013 357822085 /nfs/dbraw/zinc/82/20/85/357822085.db2.gz KLHZHWDTNOVHQG-JHJVBQTASA-N 2 0 253.390 0.785 10 0 CCAERP [NH3+]CCN1CC[NH2+][C@H](c2cccc3ccnnc32)C1 ZINC000616634266 365392940 /nfs/dbraw/zinc/39/29/40/365392940.db2.gz PBLMNISCCHKWAK-ZDUSSCGKSA-N 2 0 257.341 0.535 10 0 CCAERP CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1CC[NH3+] ZINC000616635371 365394255 /nfs/dbraw/zinc/39/42/55/365394255.db2.gz FIBMBORPYWPNPS-LLVKDONJSA-N 2 0 272.393 0.134 10 0 CCAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000333493896 205372956 /nfs/dbraw/zinc/37/29/56/205372956.db2.gz CQCFZZGJGVXYDC-OCCSQVGLSA-N 2 0 280.416 0.934 10 0 CCAERP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000638109916 374678087 /nfs/dbraw/zinc/67/80/87/374678087.db2.gz ZOAJIUIMCXPFAC-MBNYWOFBSA-N 2 0 267.373 0.060 10 0 CCAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000638115840 374682236 /nfs/dbraw/zinc/68/22/36/374682236.db2.gz JPKFNDHOIYYTRK-OSFYFWSMSA-N 2 0 281.400 0.449 10 0 CCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000335285376 208102458 /nfs/dbraw/zinc/10/24/58/208102458.db2.gz MOBNLJXPOIWSFM-RYUDHWBXSA-N 2 0 254.378 0.474 10 0 CCAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1C ZINC000132283048 389223199 /nfs/dbraw/zinc/22/31/99/389223199.db2.gz VROKIYUOFMPWLD-HUUCEWRRSA-N 2 0 269.433 0.859 10 0 CCAERP C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171897796 389482026 /nfs/dbraw/zinc/48/20/26/389482026.db2.gz RPKFFSWWABHJRL-CYBMUJFWSA-N 2 0 266.389 0.570 10 0 CCAERP COCC[N@H+](C)CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180990153 389679361 /nfs/dbraw/zinc/67/93/61/389679361.db2.gz WUYNXZYGCMCDNL-AWEZNQCLSA-N 2 0 271.405 0.603 10 0 CCAERP O=C(NCCC[NH+]1CCCCC1)[C@H]1C[NH2+]CCOC1 ZINC000649281178 390548628 /nfs/dbraw/zinc/54/86/28/390548628.db2.gz NZEJURCLTXIXGO-ZDUSSCGKSA-N 2 0 269.389 0.215 10 0 CCAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000649303327 390562704 /nfs/dbraw/zinc/56/27/04/390562704.db2.gz SZJPTRSSMHNHDS-ZIAGYGMSSA-N 2 0 283.416 0.461 10 0 CCAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000647039669 390763156 /nfs/dbraw/zinc/76/31/56/390763156.db2.gz VUIBLXSZAZEVHT-KGLIPLIRSA-N 2 0 277.368 0.058 10 0 CCAERP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000261832871 286908434 /nfs/dbraw/zinc/90/84/34/286908434.db2.gz NHJVHIWGDCIARI-CHWSQXEVSA-N 2 0 269.389 0.295 10 0 CCAERP C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653130498 412235509 /nfs/dbraw/zinc/23/55/09/412235509.db2.gz OUIZFQAIQHEQBR-NXEZZACHSA-N 2 0 279.306 0.548 10 0 CCAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426468 171793842 /nfs/dbraw/zinc/79/38/42/171793842.db2.gz GSOLJHVDECNJOT-AWEZNQCLSA-N 2 0 253.390 0.930 10 0 CCAERP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000662260395 414701222 /nfs/dbraw/zinc/70/12/22/414701222.db2.gz MFJZJCVCVGUSCE-KGLIPLIRSA-N 2 0 265.401 0.678 10 0 CCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264524 414702724 /nfs/dbraw/zinc/70/27/24/414702724.db2.gz SGJRNJPMOYHUGF-MCIONIFRSA-N 2 0 265.401 0.676 10 0 CCAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662854830 414846955 /nfs/dbraw/zinc/84/69/55/414846955.db2.gz VGFRELLWKLFPCH-LBPRGKRZSA-N 2 0 283.416 0.731 10 0 CCAERP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578734 175994270 /nfs/dbraw/zinc/99/42/70/175994270.db2.gz HVCGWYPDPBZPAQ-CABCVRRESA-N 3 0 268.449 0.683 10 0 CCAERP CC[C@H]([NH3+])CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258271 545882356 /nfs/dbraw/zinc/88/23/56/545882356.db2.gz MIKRTOXMVREDAJ-VIFPVBQESA-N 2 0 251.334 0.483 10 0 CCAERP [NH3+]C1(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC1 ZINC000094294576 544543989 /nfs/dbraw/zinc/54/39/89/544543989.db2.gz QFLSDUPNDAFRKS-GFCCVEGCSA-N 2 0 251.374 0.955 10 0 CCAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)COCC[NH3+] ZINC000094447073 544544365 /nfs/dbraw/zinc/54/43/65/544544365.db2.gz SZUUGBDLRCMPMS-NWDGAFQWSA-N 2 0 255.362 0.047 10 0 CCAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094569931 544544861 /nfs/dbraw/zinc/54/48/61/544544861.db2.gz KUKBAMQQHMWLTK-SNVBAGLBSA-N 2 0 251.330 0.952 10 0 CCAERP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461841 544514166 /nfs/dbraw/zinc/51/41/66/544514166.db2.gz KEULMXKAVVUUQI-NEPJUHHUSA-N 2 0 257.378 0.056 10 0 CCAERP C[NH+](C)C[C@H](NC(=O)COC1(C)C[NH2+]C1)c1ccccc1 ZINC000098061580 544555116 /nfs/dbraw/zinc/55/51/16/544555116.db2.gz BONZJBTWLHDYOR-AWEZNQCLSA-N 2 0 291.395 0.784 10 0 CCAERP CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000178775085 544748723 /nfs/dbraw/zinc/74/87/23/544748723.db2.gz JQNIFAVDQARWIH-OLZOCXBDSA-N 2 0 283.416 0.562 10 0 CCAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)COCC[NH3+] ZINC000251867549 544928212 /nfs/dbraw/zinc/92/82/12/544928212.db2.gz SZUUGBDLRCMPMS-NEPJUHHUSA-N 2 0 255.362 0.047 10 0 CCAERP [NH3+]C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C1CCCC1 ZINC000333656940 545041419 /nfs/dbraw/zinc/04/14/19/545041419.db2.gz KVLWKHIYPZOXPJ-IHRRRGAJSA-N 2 0 280.416 0.755 10 0 CCAERP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333919015 277932395 /nfs/dbraw/zinc/93/23/95/277932395.db2.gz ORGOIPUJECLTHJ-FVCCEPFGSA-N 2 0 266.389 0.378 10 0 CCAERP C[C@@]1(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CC[NH2+]C1 ZINC000222905513 278121846 /nfs/dbraw/zinc/12/18/46/278121846.db2.gz XIUIIPKTTBDNAN-ZIAGYGMSSA-N 2 0 253.390 0.393 10 0 CCAERP C[C@@H]1C[NH+](CCCCNC(=O)C2C[NH2+]C2)C[C@@H](C)O1 ZINC000263299238 288158705 /nfs/dbraw/zinc/15/87/05/288158705.db2.gz NCHBLXDZJZBOEJ-VXGBXAGGSA-N 2 0 269.389 0.211 10 0 CCAERP C[NH+](C)C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000161687508 289202180 /nfs/dbraw/zinc/20/21/80/289202180.db2.gz YBXSXQNMWFETMC-UONOGXRCSA-N 2 0 255.406 0.733 10 0 CCAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000333678900 295308356 /nfs/dbraw/zinc/30/83/56/295308356.db2.gz OMELWHAUKXWEGZ-YIYPIFLZSA-N 2 0 280.416 0.897 10 0 CCAERP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000408095736 300220052 /nfs/dbraw/zinc/22/00/52/300220052.db2.gz PRKPHWJYXGYSDS-YNEHKIRRSA-N 2 0 289.445 0.340 10 0 CCAERP O=C(NC1C[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000335385699 303748083 /nfs/dbraw/zinc/74/80/83/303748083.db2.gz FYQCGGJOZDWDDH-UHFFFAOYSA-N 2 0 252.362 0.228 10 0 CCAERP CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H](N2CC[NH2+]CC2)C1 ZINC000536961311 330384481 /nfs/dbraw/zinc/38/44/81/330384481.db2.gz YZIPTYWWQUNRHL-VXGBXAGGSA-N 2 0 269.389 0.211 10 0 CCAERP CC[NH2+]CCS(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000049632416 519926680 /nfs/dbraw/zinc/92/66/80/519926680.db2.gz GACKUFCPSDGJKT-UHFFFAOYSA-N 2 0 279.450 0.634 10 0 CCAERP CC[NH+](CC)C[C@@H](C)NC(=O)CN1CCC[NH2+]CC1 ZINC000061274509 520715511 /nfs/dbraw/zinc/71/55/11/520715511.db2.gz FBVDKHFLJSJVEC-CYBMUJFWSA-N 2 0 270.421 0.128 10 0 CCAERP CC(C)(C)OC(=O)N1CC[NH2+][C@H](CN2CC[NH2+]CC2)C1 ZINC000616569392 545103088 /nfs/dbraw/zinc/10/30/88/545103088.db2.gz SYOMVCHVRCBCME-GFCCVEGCSA-N 2 0 284.404 0.101 10 0 CCAERP C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)CCCC[NH3+] ZINC000049502432 524608121 /nfs/dbraw/zinc/60/81/21/524608121.db2.gz UBTRSOPARQPPSG-LBPRGKRZSA-N 2 0 277.434 0.519 10 0 CCAERP NC(=[NH2+])c1cc(Cl)ccc1N1CC[NH+](CCO)CC1 ZINC000052860065 526821035 /nfs/dbraw/zinc/82/10/35/526821035.db2.gz DWAKHEZONKCFHT-UHFFFAOYSA-N 2 0 282.775 0.738 10 0 CCAERP [NH3+]CCCCC[N@@H+]1CCCN(C(=O)NC2CC2)CC1 ZINC000054456949 527174623 /nfs/dbraw/zinc/17/46/23/527174623.db2.gz GPLBNSJOUCYWQF-UHFFFAOYSA-N 2 0 268.405 0.995 10 0 CCAERP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1C1CNC[NH2+]C1 ZINC000669384841 545206413 /nfs/dbraw/zinc/20/64/13/545206413.db2.gz JFESKUDHTZKLEP-NWDGAFQWSA-N 2 0 284.404 0.256 10 0 CCAERP C[NH+](C)CC(=O)NC[C@@H]1[NH2+]CCOc2ccccc21 ZINC000675058086 545320561 /nfs/dbraw/zinc/32/05/61/545320561.db2.gz ROJWIOBZOJEQFZ-LBPRGKRZSA-N 2 0 263.341 0.388 10 0 CCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900378409 614214550 /nfs/dbraw/zinc/21/45/50/614214550.db2.gz QUGJBPGQRAYGAF-UMVBOHGHSA-N 2 0 285.432 0.534 10 0 CCAERP